 Entering Gaussian System, Link 0=g09
 Input=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/reallig/crystal_high_Zn_re_ligand_colIII_flipped_6_2.com
 Output=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/reallig/crystal_high_Zn_re_ligand_colIII_flipped_6_2.log
 Initial command:
 /home/long/gaussian/g09/l1.exe "/home/long/gaussian/Gau-29162.inp" -scrdir="/home/long/gaussian/"
 Entering Link 1 = /home/long/gaussian/g09/l1.exe PID=     29165.
  
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            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 09 program.  It is based on
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
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 Rights clause in FAR 52.227-19.
  
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 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
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 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
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 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                15-Jun-2020 
 ******************************************
 %chk=crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk
 -------------------------------------
 # opt b3lyp/lanl2dz geom=connectivity
 -------------------------------------
 1/14=-1,18=20,19=15,26=3,38=1,57=2/1,3;
 2/9=110,12=2,17=6,18=5,40=1/2;
 3/5=6,6=3,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7//1,2,3,16;
 1/14=-1,18=20,19=15,26=3/3(2);
 2/9=110/2;
 99//99;
 2/9=110/2;
 3/5=6,6=3,11=2,16=1,25=1,30=1,71=1,74=-5/1,2,3;
 4/5=5,16=3,69=1/1;
 5/5=2,38=5/2;
 7//1,2,3,16;
 1/14=-1,18=20,19=15,26=3/3(-5);
 2/9=110/2;
 6/7=2,8=2,9=2,10=2,19=2,28=1/1;
 99/9=1/99;
 ----
 5h8x
 ----
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 C                    -1    4.48981  -0.49087   3.9556 
 C                    0     3.2653    0.46125   3.97641 
 C                    0     2.11427  -0.02586   3.14224 
 C                    0     2.0908   -0.7275    1.94644 
 N                    0     0.76595   0.12949   3.49673 
 C                    0    -0.0137   -0.45802   2.53018 
 N                    0     0.75976  -0.99072   1.57115 
 C                    -1    5.39658   0.63831   0.26971 
 C                    0     5.48123   1.26017  -1.14198 
 C                    0     4.46127   2.41031  -1.37175 
 C                    0     3.04572   1.87976  -1.52238 
 O                    0     2.94183   0.72656  -2.20089 
 O                    0     2.03972   2.45542  -0.9995 
 C                    -1    3.81557  -4.04366  -2.03335 
 C                    0     2.78677  -3.73149  -3.13811 
 C                    0     1.67372  -2.81913  -2.68948 
 C                    0     1.63515  -1.66292  -1.92188 
 N                    0     0.33538  -3.04821  -3.0533 
 C                    0    -0.44954  -2.06246  -2.51694 
 N                    0     0.31015  -1.20421  -1.82159 
 C                    -1   -3.24851  -4.96827   2.1668 
 C                    0    -4.22609  -3.77404   2.16187 
 C                    0    -3.59994  -2.51377   1.62734 
 C                    0    -2.30297  -2.20658   1.2457 
 N                    0    -4.32376  -1.33017   1.40876 
 C                    0    -3.47691  -0.3669    0.91522 
 N                    0    -2.23986  -0.87289   0.81061 
 Zn                   0    -0.65461  -0.02246  -0.32433 
 H                    0     5.30576  -0.07015   4.55519 
 H                    0     4.85587  -0.63225   2.93347 
 H                    0     4.24587  -1.47798   4.37082 
 H                    0     3.5627    1.44133   3.58815 
 H                    0     2.94449   0.61746   5.01665 
 H                    0     2.93899  -1.04632   1.35883 
 H                    0     0.42352   0.60259   4.32321 
 H                    0    -1.09083  -0.46069   2.54762 
 H                    0     4.35333   0.47273   0.56602 
 H                    0     5.8577    1.29926   1.01671 
 H                    0     5.91972  -0.32661   0.30052 
 H                    0     6.4911    1.66187  -1.30603 
 H                    0     5.31248   0.48561  -1.90184 
 H                    0     4.478     3.10772  -0.52684 
 H                    0     4.73344   2.95543  -2.28438 
 H                    0     4.2958   -3.12634  -1.66908 
 H                    0     4.59916  -4.70351  -2.42001 
 H                    0     3.34364  -4.54574  -1.17876 
 H                    0     3.30821  -3.2701   -3.99046 
 H                    0     2.35609  -4.67381  -3.50954 
 H                    0     2.45138  -1.12367  -1.47085 
 H                    0     0.00826  -3.80823  -3.63649 
 H                    0    -1.5148   -1.97049  -2.64886 
 H                    0    -2.89319  -5.19734   1.15421 
 H                    0    -2.37594  -4.76625   2.79977 
 H                    0    -3.74598  -5.86523   2.55184 
 H                    0    -4.58891  -3.59714   3.18532 
 H                    0    -5.11123  -4.0344    1.5624 
 H                    0    -1.43504  -2.84605   1.23329 
 H                    0    -5.31155  -1.20222   1.58967 
 H                    0    -3.7553    0.64369   0.64568 
 O                    0     0.83484   1.13086  -0.788 
 H                    0     1.58187   0.56731  -1.07881 
 H                    0     1.16859   2.03972  -1.13941 
 C                    0    -2.7594    0.93343  -2.15737 
 O                    0    -1.85723   0.04023  -2.18932 
 N                    0    -2.49115   2.22451  -1.81375 
 C                    0    -1.16285   2.67504  -1.41049 
 C                    0    -0.95179   2.59196   0.11204 
 O                    0    -1.61771   1.79578   0.83063 
 N                    0     0.04587   3.38634   0.59706 
 H                    0    -0.40977   2.00037  -1.84895 
 H                    0    -0.99092   3.69239  -1.78168 
 H                    0    -3.25607   2.8883   -1.78885 
 H                    0     0.48716   4.05276  -0.02713 
 C                    0     0.47735   3.37372   2.00311 
 H                    0     0.25465   4.33049   2.49187 
 H                    0    -0.06594   2.58044   2.52033 
 H                    0     1.55434   3.17947   2.06842 
 C                    0    -4.19286   0.61041  -2.53831 
 H                    0    -4.22428   0.26202  -3.57697 
 H                    0    -4.55599  -0.20655  -1.90513 
 H                    0    -4.86659   1.46678  -2.43532 
 

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Initialization pass.
                           ----------------------------
                           !    Initial Parameters    !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! X1    R(1,-1)                 4.4898         Frozen                          !
 ! Y1    R(1,-2)                -0.4909         Frozen                          !
 ! Z1    R(1,-3)                 3.9556         Frozen                          !
 ! X8    R(8,-1)                 5.3966         Frozen                          !
 ! Y8    R(8,-2)                 0.6383         Frozen                          !
 ! Z8    R(8,-3)                 0.2697         Frozen                          !
 ! X14   R(14,-1)                3.8156         Frozen                          !
 ! Y14   R(14,-2)               -4.0437         Frozen                          !
 ! Z14   R(14,-3)               -2.0334         Frozen                          !
 ! X21   R(21,-1)               -3.2485         Frozen                          !
 ! Y21   R(21,-2)               -4.9683         Frozen                          !
 ! Z21   R(21,-3)                2.1668         Frozen                          !
 ! R1    R(1,2)                  1.5513         estimate D2E/DX2                !
 ! R2    R(1,29)                 1.0965         estimate D2E/DX2                !
 ! R3    R(1,30)                 1.0949         estimate D2E/DX2                !
 ! R4    R(1,31)                 1.0983         estimate D2E/DX2                !
 ! R5    R(2,3)                  1.5027         estimate D2E/DX2                !
 ! R6    R(2,32)                 1.0953         estimate D2E/DX2                !
 ! R7    R(2,33)                 1.0997         estimate D2E/DX2                !
 ! R8    R(3,4)                  1.3867         estimate D2E/DX2                !
 ! R9    R(3,5)                  1.4028         estimate D2E/DX2                !
 ! R10   R(4,7)                  1.4078         estimate D2E/DX2                !
 ! R11   R(4,34)                 1.08           estimate D2E/DX2                !
 ! R12   R(5,6)                  1.3738         estimate D2E/DX2                !
 ! R13   R(5,35)                 1.012          estimate D2E/DX2                !
 ! R14   R(6,7)                  1.3423         estimate D2E/DX2                !
 ! R15   R(6,36)                 1.0773         estimate D2E/DX2                !
 ! R16   R(7,28)                 2.5555         estimate D2E/DX2                !
 ! R17   R(8,9)                  1.5449         estimate D2E/DX2                !
 ! R18   R(8,37)                 1.0971         estimate D2E/DX2                !
 ! R19   R(8,38)                 1.0989         estimate D2E/DX2                !
 ! R20   R(8,39)                 1.098          estimate D2E/DX2                !
 ! R21   R(9,10)                 1.5543         estimate D2E/DX2                !
 ! R22   R(9,40)                 1.0991         estimate D2E/DX2                !
 ! R23   R(9,41)                 1.0981         estimate D2E/DX2                !
 ! R24   R(10,11)                1.5192         estimate D2E/DX2                !
 ! R25   R(10,42)                1.0957         estimate D2E/DX2                !
 ! R26   R(10,43)                1.0973         estimate D2E/DX2                !
 ! R27   R(11,12)                1.342          estimate D2E/DX2                !
 ! R28   R(11,13)                1.2715         estimate D2E/DX2                !
 ! R29   R(12,61)                1.7703         estimate D2E/DX2                !
 ! R30   R(13,62)                0.9753         estimate D2E/DX2                !
 ! R31   R(14,15)                1.5415         estimate D2E/DX2                !
 ! R32   R(14,44)                1.0976         estimate D2E/DX2                !
 ! R33   R(14,45)                1.095          estimate D2E/DX2                !
 ! R34   R(14,46)                1.0978         estimate D2E/DX2                !
 ! R35   R(15,16)                1.5075         estimate D2E/DX2                !
 ! R36   R(15,47)                1.1006         estimate D2E/DX2                !
 ! R37   R(15,48)                1.1006         estimate D2E/DX2                !
 ! R38   R(16,17)                1.3884         estimate D2E/DX2                !
 ! R39   R(16,18)                1.4057         estimate D2E/DX2                !
 ! R40   R(17,20)                1.4057         estimate D2E/DX2                !
 ! R41   R(17,49)                1.0772         estimate D2E/DX2                !
 ! R42   R(18,19)                1.3695         estimate D2E/DX2                !
 ! R43   R(18,50)                1.0123         estimate D2E/DX2                !
 ! R44   R(19,20)                1.3406         estimate D2E/DX2                !
 ! R45   R(19,51)                1.0773         estimate D2E/DX2                !
 ! R46   R(20,28)                2.1375         estimate D2E/DX2                !
 ! R47   R(21,22)                1.5433         estimate D2E/DX2                !
 ! R48   R(21,52)                1.0973         estimate D2E/DX2                !
 ! R49   R(21,53)                1.0967         estimate D2E/DX2                !
 ! R50   R(21,54)                1.0956         estimate D2E/DX2                !
 ! R51   R(22,23)                1.5053         estimate D2E/DX2                !
 ! R52   R(22,55)                1.1002         estimate D2E/DX2                !
 ! R53   R(22,56)                1.1003         estimate D2E/DX2                !
 ! R54   R(23,24)                1.3864         estimate D2E/DX2                !
 ! R55   R(23,25)                1.4045         estimate D2E/DX2                !
 ! R56   R(24,27)                1.4043         estimate D2E/DX2                !
 ! R57   R(24,57)                1.0781         estimate D2E/DX2                !
 ! R58   R(25,26)                1.3743         estimate D2E/DX2                !
 ! R59   R(25,58)                1.0123         estimate D2E/DX2                !
 ! R60   R(26,27)                1.3406         estimate D2E/DX2                !
 ! R61   R(26,59)                1.0823         estimate D2E/DX2                !
 ! R62   R(27,28)                2.1271         estimate D2E/DX2                !
 ! R63   R(28,60)                1.94           estimate D2E/DX2                !
 ! R64   R(28,64)                2.22           estimate D2E/DX2                !
 ! R65   R(28,68)                2.3596         estimate D2E/DX2                !
 ! R66   R(60,61)                0.9799         estimate D2E/DX2                !
 ! R67   R(60,62)                1.03           estimate D2E/DX2                !
 ! R68   R(63,64)                1.2699         estimate D2E/DX2                !
 ! R69   R(63,65)                1.3627         estimate D2E/DX2                !
 ! R70   R(63,78)                1.518          estimate D2E/DX2                !
 ! R71   R(65,66)                1.4595         estimate D2E/DX2                !
 ! R72   R(65,72)                1.0131         estimate D2E/DX2                !
 ! R73   R(66,67)                1.5393         estimate D2E/DX2                !
 ! R74   R(66,70)                1.1021         estimate D2E/DX2                !
 ! R75   R(66,71)                1.0965         estimate D2E/DX2                !
 ! R76   R(67,68)                1.2624         estimate D2E/DX2                !
 ! R77   R(67,69)                1.3644         estimate D2E/DX2                !
 ! R78   R(69,73)                1.0141         estimate D2E/DX2                !
 ! R79   R(69,74)                1.4708         estimate D2E/DX2                !
 ! R80   R(74,75)                1.0972         estimate D2E/DX2                !
 ! R81   R(74,76)                1.0918         estimate D2E/DX2                !
 ! R82   R(74,77)                1.0963         estimate D2E/DX2                !
 ! R83   R(78,79)                1.096          estimate D2E/DX2                !
 ! R84   R(78,80)                1.0955         estimate D2E/DX2                !
 ! R85   R(78,81)                1.0945         estimate D2E/DX2                !
 ! A1    A(2,1,29)             110.1552         estimate D2E/DX2                !
 ! A2    A(2,1,30)             110.8355         estimate D2E/DX2                !
 ! A3    A(2,1,31)             111.7918         estimate D2E/DX2                !
 ! A4    A(29,1,30)            108.1346         estimate D2E/DX2                !
 ! A5    A(29,1,31)            107.6621         estimate D2E/DX2                !
 ! A6    A(30,1,31)            108.1282         estimate D2E/DX2                !
 ! A7    A(1,2,3)              113.4685         estimate D2E/DX2                !
 ! A8    A(1,2,32)             109.2756         estimate D2E/DX2                !
 ! A9    A(1,2,33)             109.2773         estimate D2E/DX2                !
 ! A10   A(3,2,32)             107.5337         estimate D2E/DX2                !
 ! A11   A(3,2,33)             110.3455         estimate D2E/DX2                !
 ! A12   A(32,2,33)            106.7022         estimate D2E/DX2                !
 ! A13   A(2,3,4)              130.9739         estimate D2E/DX2                !
 ! A14   A(2,3,5)              124.0617         estimate D2E/DX2                !
 ! A15   A(4,3,5)              104.933          estimate D2E/DX2                !
 ! A16   A(3,4,7)              109.9078         estimate D2E/DX2                !
 ! A17   A(3,4,34)             127.2492         estimate D2E/DX2                !
 ! A18   A(7,4,34)             122.8429         estimate D2E/DX2                !
 ! A19   A(3,5,6)              108.684          estimate D2E/DX2                !
 ! A20   A(3,5,35)             125.6889         estimate D2E/DX2                !
 ! A21   A(6,5,35)             125.6252         estimate D2E/DX2                !
 ! A22   A(5,6,7)              110.2046         estimate D2E/DX2                !
 ! A23   A(5,6,36)             123.8572         estimate D2E/DX2                !
 ! A24   A(7,6,36)             125.9255         estimate D2E/DX2                !
 ! A25   A(4,7,6)              106.2694         estimate D2E/DX2                !
 ! A26   A(4,7,28)             130.5547         estimate D2E/DX2                !
 ! A27   A(6,7,28)              93.4775         estimate D2E/DX2                !
 ! A28   A(9,8,37)             111.0792         estimate D2E/DX2                !
 ! A29   A(9,8,38)             110.8586         estimate D2E/DX2                !
 ! A30   A(9,8,39)             110.6869         estimate D2E/DX2                !
 ! A31   A(37,8,38)            107.8315         estimate D2E/DX2                !
 ! A32   A(37,8,39)            108.2308         estimate D2E/DX2                !
 ! A33   A(38,8,39)            108.0329         estimate D2E/DX2                !
 ! A34   A(8,9,10)             113.3888         estimate D2E/DX2                !
 ! A35   A(8,9,40)             109.5017         estimate D2E/DX2                !
 ! A36   A(8,9,41)             109.8741         estimate D2E/DX2                !
 ! A37   A(10,9,40)            108.0847         estimate D2E/DX2                !
 ! A38   A(10,9,41)            108.591          estimate D2E/DX2                !
 ! A39   A(40,9,41)            107.2001         estimate D2E/DX2                !
 ! A40   A(9,10,11)            111.5726         estimate D2E/DX2                !
 ! A41   A(9,10,42)            110.303          estimate D2E/DX2                !
 ! A42   A(9,10,43)            109.1335         estimate D2E/DX2                !
 ! A43   A(11,10,42)           108.2382         estimate D2E/DX2                !
 ! A44   A(11,10,43)           108.7918         estimate D2E/DX2                !
 ! A45   A(42,10,43)           108.7446         estimate D2E/DX2                !
 ! A46   A(10,11,12)           114.9831         estimate D2E/DX2                !
 ! A47   A(10,11,13)           122.5685         estimate D2E/DX2                !
 ! A48   A(12,11,13)           122.3906         estimate D2E/DX2                !
 ! A49   A(11,12,61)            79.4151         estimate D2E/DX2                !
 ! A50   A(11,13,62)           117.0453         estimate D2E/DX2                !
 ! A51   A(15,14,44)           111.1363         estimate D2E/DX2                !
 ! A52   A(15,14,45)           110.2775         estimate D2E/DX2                !
 ! A53   A(15,14,46)           111.3216         estimate D2E/DX2                !
 ! A54   A(44,14,45)           107.9222         estimate D2E/DX2                !
 ! A55   A(44,14,46)           108.1777         estimate D2E/DX2                !
 ! A56   A(45,14,46)           107.8744         estimate D2E/DX2                !
 ! A57   A(14,15,16)           113.7059         estimate D2E/DX2                !
 ! A58   A(14,15,47)           108.8876         estimate D2E/DX2                !
 ! A59   A(14,15,48)           109.2456         estimate D2E/DX2                !
 ! A60   A(16,15,47)           109.0613         estimate D2E/DX2                !
 ! A61   A(16,15,48)           109.2492         estimate D2E/DX2                !
 ! A62   A(47,15,48)           106.4361         estimate D2E/DX2                !
 ! A63   A(15,16,17)           133.5564         estimate D2E/DX2                !
 ! A64   A(15,16,18)           121.8242         estimate D2E/DX2                !
 ! A65   A(17,16,18)           104.617          estimate D2E/DX2                !
 ! A66   A(16,17,20)           109.7176         estimate D2E/DX2                !
 ! A67   A(16,17,49)           128.8524         estimate D2E/DX2                !
 ! A68   A(20,17,49)           121.3973         estimate D2E/DX2                !
 ! A69   A(16,18,19)           109.0881         estimate D2E/DX2                !
 ! A70   A(16,18,50)           125.3881         estimate D2E/DX2                !
 ! A71   A(19,18,50)           125.5094         estimate D2E/DX2                !
 ! A72   A(18,19,20)           109.8254         estimate D2E/DX2                !
 ! A73   A(18,19,51)           125.4659         estimate D2E/DX2                !
 ! A74   A(20,19,51)           124.6941         estimate D2E/DX2                !
 ! A75   A(17,20,19)           106.7518         estimate D2E/DX2                !
 ! A76   A(17,20,28)           130.9801         estimate D2E/DX2                !
 ! A77   A(19,20,28)           117.4827         estimate D2E/DX2                !
 ! A78   A(22,21,52)           111.3272         estimate D2E/DX2                !
 ! A79   A(22,21,53)           111.3008         estimate D2E/DX2                !
 ! A80   A(22,21,54)           110.3053         estimate D2E/DX2                !
 ! A81   A(52,21,53)           108.265          estimate D2E/DX2                !
 ! A82   A(52,21,54)           107.4842         estimate D2E/DX2                !
 ! A83   A(53,21,54)           108.0135         estimate D2E/DX2                !
 ! A84   A(21,22,23)           112.6741         estimate D2E/DX2                !
 ! A85   A(21,22,55)           109.289          estimate D2E/DX2                !
 ! A86   A(21,22,56)           109.1597         estimate D2E/DX2                !
 ! A87   A(23,22,55)           109.4441         estimate D2E/DX2                !
 ! A88   A(23,22,56)           109.8322         estimate D2E/DX2                !
 ! A89   A(55,22,56)           106.2352         estimate D2E/DX2                !
 ! A90   A(22,23,24)           132.2495         estimate D2E/DX2                !
 ! A91   A(22,23,25)           123.1223         estimate D2E/DX2                !
 ! A92   A(24,23,25)           104.628          estimate D2E/DX2                !
 ! A93   A(23,24,27)           109.7406         estimate D2E/DX2                !
 ! A94   A(23,24,57)           128.6703         estimate D2E/DX2                !
 ! A95   A(27,24,57)           121.5718         estimate D2E/DX2                !
 ! A96   A(23,25,26)           109.2091         estimate D2E/DX2                !
 ! A97   A(23,25,58)           125.5608         estimate D2E/DX2                !
 ! A98   A(26,25,58)           125.2293         estimate D2E/DX2                !
 ! A99   A(25,26,27)           109.3952         estimate D2E/DX2                !
 ! A100  A(25,26,59)           125.8325         estimate D2E/DX2                !
 ! A101  A(27,26,59)           124.7718         estimate D2E/DX2                !
 ! A102  A(24,27,26)           107.0261         estimate D2E/DX2                !
 ! A103  A(24,27,28)           125.3467         estimate D2E/DX2                !
 ! A104  A(26,27,28)           125.3411         estimate D2E/DX2                !
 ! A105  A(7,28,20)             93.4557         estimate D2E/DX2                !
 ! A106  A(7,28,27)             82.2547         estimate D2E/DX2                !
 ! A107  A(7,28,60)             88.7166         estimate D2E/DX2                !
 ! A108  A(7,28,64)            159.006          estimate D2E/DX2                !
 ! A109  A(7,28,68)             98.9056         estimate D2E/DX2                !
 ! A110  A(20,28,27)           119.2807         estimate D2E/DX2                !
 ! A111  A(20,28,60)            79.3237         estimate D2E/DX2                !
 ! A112  A(20,28,64)            70.8326         estimate D2E/DX2                !
 ! A113  A(20,28,68)           162.3847         estimate D2E/DX2                !
 ! A114  A(27,28,60)           159.6208         estimate D2E/DX2                !
 ! A115  A(27,28,64)            93.1992         estimate D2E/DX2                !
 ! A116  A(27,28,68)            75.0906         estimate D2E/DX2                !
 ! A117  A(60,28,64)           101.4398         estimate D2E/DX2                !
 ! A118  A(60,28,68)            88.41           estimate D2E/DX2                !
 ! A119  A(64,28,68)            99.6907         estimate D2E/DX2                !
 ! A120  A(28,60,61)           108.32           estimate D2E/DX2                !
 ! A121  A(28,60,62)           148.7481         estimate D2E/DX2                !
 ! A122  A(61,60,62)            99.16           estimate D2E/DX2                !
 ! A123  A(12,61,60)           136.2213         estimate D2E/DX2                !
 ! A124  A(13,62,60)           128.0656         estimate D2E/DX2                !
 ! A125  A(64,63,65)           122.2            estimate D2E/DX2                !
 ! A126  A(64,63,78)           120.9891         estimate D2E/DX2                !
 ! A127  A(65,63,78)           116.794          estimate D2E/DX2                !
 ! A128  A(28,64,63)           112.555          estimate D2E/DX2                !
 ! A129  A(63,65,66)           122.7734         estimate D2E/DX2                !
 ! A130  A(63,65,72)           118.5782         estimate D2E/DX2                !
 ! A131  A(66,65,72)           118.5633         estimate D2E/DX2                !
 ! A132  A(65,66,67)           112.4217         estimate D2E/DX2                !
 ! A133  A(65,66,70)           108.8457         estimate D2E/DX2                !
 ! A134  A(65,66,71)           109.6078         estimate D2E/DX2                !
 ! A135  A(67,66,70)           105.4722         estimate D2E/DX2                !
 ! A136  A(67,66,71)           111.3093         estimate D2E/DX2                !
 ! A137  A(70,66,71)           109.0365         estimate D2E/DX2                !
 ! A138  A(66,67,68)           121.649          estimate D2E/DX2                !
 ! A139  A(66,67,69)           114.8616         estimate D2E/DX2                !
 ! A140  A(68,67,69)           123.4049         estimate D2E/DX2                !
 ! A141  A(28,68,67)            89.5449         estimate D2E/DX2                !
 ! A142  A(67,69,73)           118.8144         estimate D2E/DX2                !
 ! A143  A(67,69,74)           123.321          estimate D2E/DX2                !
 ! A144  A(73,69,74)           117.7997         estimate D2E/DX2                !
 ! A145  A(69,74,75)           111.0268         estimate D2E/DX2                !
 ! A146  A(69,74,76)           108.2485         estimate D2E/DX2                !
 ! A147  A(69,74,77)           110.2829         estimate D2E/DX2                !
 ! A148  A(75,74,76)           108.7574         estimate D2E/DX2                !
 ! A149  A(75,74,77)           109.1083         estimate D2E/DX2                !
 ! A150  A(76,74,77)           109.3834         estimate D2E/DX2                !
 ! A151  A(63,78,79)           109.4236         estimate D2E/DX2                !
 ! A152  A(63,78,80)           109.0655         estimate D2E/DX2                !
 ! A153  A(63,78,81)           113.0284         estimate D2E/DX2                !
 ! A154  A(79,78,80)           107.5284         estimate D2E/DX2                !
 ! A155  A(79,78,81)           108.6786         estimate D2E/DX2                !
 ! A156  A(80,78,81)           108.9681         estimate D2E/DX2                !
 ! D1    D(29,1,2,3)           178.3112         estimate D2E/DX2                !
 ! D2    D(29,1,2,32)           58.3261         estimate D2E/DX2                !
 ! D3    D(29,1,2,33)          -58.0886         estimate D2E/DX2                !
 ! D4    D(30,1,2,3)            58.6785         estimate D2E/DX2                !
 ! D5    D(30,1,2,32)          -61.3066         estimate D2E/DX2                !
 ! D6    D(30,1,2,33)         -177.7213         estimate D2E/DX2                !
 ! D7    D(31,1,2,3)           -62.0315         estimate D2E/DX2                !
 ! D8    D(31,1,2,32)          177.9835         estimate D2E/DX2                !
 ! D9    D(31,1,2,33)           61.5688         estimate D2E/DX2                !
 ! D10   D(1,2,3,4)            -34.6233         estimate D2E/DX2                !
 ! D11   D(1,2,3,5)            143.019          estimate D2E/DX2                !
 ! D12   D(32,2,3,4)            86.3467         estimate D2E/DX2                !
 ! D13   D(32,2,3,5)           -96.011          estimate D2E/DX2                !
 ! D14   D(33,2,3,4)          -157.6379         estimate D2E/DX2                !
 ! D15   D(33,2,3,5)            20.0044         estimate D2E/DX2                !
 ! D16   D(2,3,4,7)            178.2919         estimate D2E/DX2                !
 ! D17   D(2,3,4,34)            -1.5939         estimate D2E/DX2                !
 ! D18   D(5,3,4,7)              0.3132         estimate D2E/DX2                !
 ! D19   D(5,3,4,34)          -179.5726         estimate D2E/DX2                !
 ! D20   D(2,3,5,6)           -178.5055         estimate D2E/DX2                !
 ! D21   D(2,3,5,35)             1.9676         estimate D2E/DX2                !
 ! D22   D(4,3,5,6)             -0.3476         estimate D2E/DX2                !
 ! D23   D(4,3,5,35)          -179.8745         estimate D2E/DX2                !
 ! D24   D(3,4,7,6)             -0.1633         estimate D2E/DX2                !
 ! D25   D(3,4,7,28)           109.2817         estimate D2E/DX2                !
 ! D26   D(34,4,7,6)           179.7285         estimate D2E/DX2                !
 ! D27   D(34,4,7,28)          -70.8264         estimate D2E/DX2                !
 ! D28   D(3,5,6,7)              0.2625         estimate D2E/DX2                !
 ! D29   D(3,5,6,36)          -178.511          estimate D2E/DX2                !
 ! D30   D(35,5,6,7)           179.7898         estimate D2E/DX2                !
 ! D31   D(35,5,6,36)            1.0163         estimate D2E/DX2                !
 ! D32   D(5,6,7,4)             -0.0627         estimate D2E/DX2                !
 ! D33   D(5,6,7,28)          -134.192          estimate D2E/DX2                !
 ! D34   D(36,6,7,4)           178.6796         estimate D2E/DX2                !
 ! D35   D(36,6,7,28)           44.5503         estimate D2E/DX2                !
 ! D36   D(4,7,28,20)           76.5942         estimate D2E/DX2                !
 ! D37   D(4,7,28,27)         -164.3097         estimate D2E/DX2                !
 ! D38   D(4,7,28,60)           -2.6282         estimate D2E/DX2                !
 ! D39   D(4,7,28,64)          117.0652         estimate D2E/DX2                !
 ! D40   D(4,7,28,68)          -90.8172         estimate D2E/DX2                !
 ! D41   D(6,7,28,20)         -168.4822         estimate D2E/DX2                !
 ! D42   D(6,7,28,27)          -49.386          estimate D2E/DX2                !
 ! D43   D(6,7,28,60)          112.2954         estimate D2E/DX2                !
 ! D44   D(6,7,28,64)         -128.0111         estimate D2E/DX2                !
 ! D45   D(6,7,28,68)           24.1065         estimate D2E/DX2                !
 ! D46   D(37,8,9,10)           44.084          estimate D2E/DX2                !
 ! D47   D(37,8,9,40)          164.8791         estimate D2E/DX2                !
 ! D48   D(37,8,9,41)          -77.631          estimate D2E/DX2                !
 ! D49   D(38,8,9,10)          -75.7882         estimate D2E/DX2                !
 ! D50   D(38,8,9,40)           45.0069         estimate D2E/DX2                !
 ! D51   D(38,8,9,41)          162.4968         estimate D2E/DX2                !
 ! D52   D(39,8,9,10)          164.3449         estimate D2E/DX2                !
 ! D53   D(39,8,9,40)          -74.86           estimate D2E/DX2                !
 ! D54   D(39,8,9,41)           42.6299         estimate D2E/DX2                !
 ! D55   D(8,9,10,11)          -73.18           estimate D2E/DX2                !
 ! D56   D(8,9,10,42)           47.1589         estimate D2E/DX2                !
 ! D57   D(8,9,10,43)          166.5671         estimate D2E/DX2                !
 ! D58   D(40,9,10,11)         165.2285         estimate D2E/DX2                !
 ! D59   D(40,9,10,42)         -74.4327         estimate D2E/DX2                !
 ! D60   D(40,9,10,43)          44.9756         estimate D2E/DX2                !
 ! D61   D(41,9,10,11)          49.2493         estimate D2E/DX2                !
 ! D62   D(41,9,10,42)         169.5882         estimate D2E/DX2                !
 ! D63   D(41,9,10,43)         -71.0036         estimate D2E/DX2                !
 ! D64   D(9,10,11,12)         -37.85           estimate D2E/DX2                !
 ! D65   D(9,10,11,13)         139.4453         estimate D2E/DX2                !
 ! D66   D(42,10,11,12)       -159.3932         estimate D2E/DX2                !
 ! D67   D(42,10,11,13)         17.9021         estimate D2E/DX2                !
 ! D68   D(43,10,11,12)         82.6034         estimate D2E/DX2                !
 ! D69   D(43,10,11,13)       -100.1013         estimate D2E/DX2                !
 ! D70   D(10,11,12,61)        148.7776         estimate D2E/DX2                !
 ! D71   D(13,11,12,61)        -28.523          estimate D2E/DX2                !
 ! D72   D(10,11,13,62)       -179.3569         estimate D2E/DX2                !
 ! D73   D(12,11,13,62)         -2.2604         estimate D2E/DX2                !
 ! D74   D(11,12,61,60)         48.2808         estimate D2E/DX2                !
 ! D75   D(11,13,62,60)         66.1823         estimate D2E/DX2                !
 ! D76   D(44,14,15,16)        -60.0402         estimate D2E/DX2                !
 ! D77   D(44,14,15,47)         61.7764         estimate D2E/DX2                !
 ! D78   D(44,14,15,48)        177.6381         estimate D2E/DX2                !
 ! D79   D(45,14,15,16)       -179.6804         estimate D2E/DX2                !
 ! D80   D(45,14,15,47)        -57.8638         estimate D2E/DX2                !
 ! D81   D(45,14,15,48)         57.9978         estimate D2E/DX2                !
 ! D82   D(46,14,15,16)         60.6194         estimate D2E/DX2                !
 ! D83   D(46,14,15,47)       -177.564          estimate D2E/DX2                !
 ! D84   D(46,14,15,48)        -61.7023         estimate D2E/DX2                !
 ! D85   D(14,15,16,17)         42.9            estimate D2E/DX2                !
 ! D86   D(14,15,16,18)       -137.751          estimate D2E/DX2                !
 ! D87   D(47,15,16,17)        -78.8202         estimate D2E/DX2                !
 ! D88   D(47,15,16,18)        100.5288         estimate D2E/DX2                !
 ! D89   D(48,15,16,17)        165.2197         estimate D2E/DX2                !
 ! D90   D(48,15,16,18)        -15.4313         estimate D2E/DX2                !
 ! D91   D(15,16,17,20)        179.492          estimate D2E/DX2                !
 ! D92   D(15,16,17,49)          1.5789         estimate D2E/DX2                !
 ! D93   D(18,16,17,20)          0.0636         estimate D2E/DX2                !
 ! D94   D(18,16,17,49)       -177.8495         estimate D2E/DX2                !
 ! D95   D(15,16,18,19)       -179.5206         estimate D2E/DX2                !
 ! D96   D(15,16,18,50)         -0.8378         estimate D2E/DX2                !
 ! D97   D(17,16,18,19)         -0.0082         estimate D2E/DX2                !
 ! D98   D(17,16,18,50)        178.6747         estimate D2E/DX2                !
 ! D99   D(16,17,20,19)         -0.0969         estimate D2E/DX2                !
 ! D100  D(16,17,20,28)        154.041          estimate D2E/DX2                !
 ! D101  D(49,17,20,19)        177.9992         estimate D2E/DX2                !
 ! D102  D(49,17,20,28)        -27.8629         estimate D2E/DX2                !
 ! D103  D(16,18,19,20)         -0.0529         estimate D2E/DX2                !
 ! D104  D(16,18,19,51)        178.6048         estimate D2E/DX2                !
 ! D105  D(50,18,19,20)       -178.7338         estimate D2E/DX2                !
 ! D106  D(50,18,19,51)         -0.0761         estimate D2E/DX2                !
 ! D107  D(18,19,20,17)          0.0907         estimate D2E/DX2                !
 ! D108  D(18,19,20,28)       -158.1197         estimate D2E/DX2                !
 ! D109  D(51,19,20,17)       -178.5797         estimate D2E/DX2                !
 ! D110  D(51,19,20,28)         23.2099         estimate D2E/DX2                !
 ! D111  D(17,20,28,7)         -33.0114         estimate D2E/DX2                !
 ! D112  D(17,20,28,27)       -116.0656         estimate D2E/DX2                !
 ! D113  D(17,20,28,60)         55.0277         estimate D2E/DX2                !
 ! D114  D(17,20,28,64)        161.2406         estimate D2E/DX2                !
 ! D115  D(17,20,28,68)        101.6301         estimate D2E/DX2                !
 ! D116  D(19,20,28,7)         118.9005         estimate D2E/DX2                !
 ! D117  D(19,20,28,27)         35.8463         estimate D2E/DX2                !
 ! D118  D(19,20,28,60)       -153.0604         estimate D2E/DX2                !
 ! D119  D(19,20,28,64)        -46.8475         estimate D2E/DX2                !
 ! D120  D(19,20,28,68)       -106.458          estimate D2E/DX2                !
 ! D121  D(52,21,22,23)        -60.1514         estimate D2E/DX2                !
 ! D122  D(52,21,22,55)        177.9485         estimate D2E/DX2                !
 ! D123  D(52,21,22,56)         62.1519         estimate D2E/DX2                !
 ! D124  D(53,21,22,23)         60.7358         estimate D2E/DX2                !
 ! D125  D(53,21,22,55)        -61.1642         estimate D2E/DX2                !
 ! D126  D(53,21,22,56)       -176.9609         estimate D2E/DX2                !
 ! D127  D(54,21,22,23)       -179.3847         estimate D2E/DX2                !
 ! D128  D(54,21,22,55)         58.7152         estimate D2E/DX2                !
 ! D129  D(54,21,22,56)        -57.0814         estimate D2E/DX2                !
 ! D130  D(21,22,23,24)         -5.89           estimate D2E/DX2                !
 ! D131  D(21,22,23,25)        173.8958         estimate D2E/DX2                !
 ! D132  D(55,22,23,24)        115.9223         estimate D2E/DX2                !
 ! D133  D(55,22,23,25)        -64.2918         estimate D2E/DX2                !
 ! D134  D(56,22,23,24)       -127.8139         estimate D2E/DX2                !
 ! D135  D(56,22,23,25)         51.9719         estimate D2E/DX2                !
 ! D136  D(22,23,24,27)        179.9559         estimate D2E/DX2                !
 ! D137  D(22,23,24,57)          1.4752         estimate D2E/DX2                !
 ! D138  D(25,23,24,27)          0.1412         estimate D2E/DX2                !
 ! D139  D(25,23,24,57)       -178.3394         estimate D2E/DX2                !
 ! D140  D(22,23,25,26)       -179.7768         estimate D2E/DX2                !
 ! D141  D(22,23,25,58)          0.5215         estimate D2E/DX2                !
 ! D142  D(24,23,25,26)          0.0593         estimate D2E/DX2                !
 ! D143  D(24,23,25,58)       -179.6423         estimate D2E/DX2                !
 ! D144  D(23,24,27,26)         -0.2941         estimate D2E/DX2                !
 ! D145  D(23,24,27,28)       -163.8042         estimate D2E/DX2                !
 ! D146  D(57,24,27,26)        178.3136         estimate D2E/DX2                !
 ! D147  D(57,24,27,28)         14.8035         estimate D2E/DX2                !
 ! D148  D(23,25,26,27)         -0.2477         estimate D2E/DX2                !
 ! D149  D(23,25,26,59)        179.4973         estimate D2E/DX2                !
 ! D150  D(58,25,26,27)        179.4551         estimate D2E/DX2                !
 ! D151  D(58,25,26,59)         -0.7998         estimate D2E/DX2                !
 ! D152  D(25,26,27,24)          0.3279         estimate D2E/DX2                !
 ! D153  D(25,26,27,28)        163.8391         estimate D2E/DX2                !
 ! D154  D(59,26,27,24)       -179.4205         estimate D2E/DX2                !
 ! D155  D(59,26,27,28)        -15.9093         estimate D2E/DX2                !
 ! D156  D(24,27,28,7)         -52.9647         estimate D2E/DX2                !
 ! D157  D(24,27,28,20)         36.6616         estimate D2E/DX2                !
 ! D158  D(24,27,28,60)       -117.4313         estimate D2E/DX2                !
 ! D159  D(24,27,28,64)        106.439          estimate D2E/DX2                !
 ! D160  D(24,27,28,68)       -154.3782         estimate D2E/DX2                !
 ! D161  D(26,27,28,7)         146.4692         estimate D2E/DX2                !
 ! D162  D(26,27,28,20)       -123.9045         estimate D2E/DX2                !
 ! D163  D(26,27,28,60)         82.0025         estimate D2E/DX2                !
 ! D164  D(26,27,28,64)        -54.1271         estimate D2E/DX2                !
 ! D165  D(26,27,28,68)         45.0556         estimate D2E/DX2                !
 ! D166  D(7,28,60,61)          64.2274         estimate D2E/DX2                !
 ! D167  D(7,28,60,62)        -145.4491         estimate D2E/DX2                !
 ! D168  D(20,28,60,61)        -29.5326         estimate D2E/DX2                !
 ! D169  D(20,28,60,62)        120.7908         estimate D2E/DX2                !
 ! D170  D(27,28,60,61)        127.6495         estimate D2E/DX2                !
 ! D171  D(27,28,60,62)        -82.0271         estimate D2E/DX2                !
 ! D172  D(64,28,60,61)        -97.2588         estimate D2E/DX2                !
 ! D173  D(64,28,60,62)         53.0646         estimate D2E/DX2                !
 ! D174  D(68,28,60,61)        163.1748         estimate D2E/DX2                !
 ! D175  D(68,28,60,62)        -46.5018         estimate D2E/DX2                !
 ! D176  D(7,28,64,63)         148.7592         estimate D2E/DX2                !
 ! D177  D(20,28,64,63)       -167.9338         estimate D2E/DX2                !
 ! D178  D(27,28,64,63)         72.121          estimate D2E/DX2                !
 ! D179  D(60,28,64,63)        -93.6247         estimate D2E/DX2                !
 ! D180  D(68,28,64,63)         -3.2903         estimate D2E/DX2                !
 ! D181  D(7,28,68,67)         112.0221         estimate D2E/DX2                !
 ! D182  D(20,28,68,67)        -22.015          estimate D2E/DX2                !
 ! D183  D(27,28,68,67)       -168.5159         estimate D2E/DX2                !
 ! D184  D(60,28,68,67)         23.5709         estimate D2E/DX2                !
 ! D185  D(64,28,68,67)        -77.7641         estimate D2E/DX2                !
 ! D186  D(28,60,61,12)        149.8281         estimate D2E/DX2                !
 ! D187  D(62,60,61,12)        -15.0912         estimate D2E/DX2                !
 ! D188  D(28,60,62,13)        157.64           estimate D2E/DX2                !
 ! D189  D(61,60,62,13)        -50.7897         estimate D2E/DX2                !
 ! D190  D(65,63,64,28)         50.5913         estimate D2E/DX2                !
 ! D191  D(78,63,64,28)       -130.9506         estimate D2E/DX2                !
 ! D192  D(64,63,65,66)         -2.2298         estimate D2E/DX2                !
 ! D193  D(64,63,65,72)       -178.8251         estimate D2E/DX2                !
 ! D194  D(78,63,65,66)        179.251          estimate D2E/DX2                !
 ! D195  D(78,63,65,72)          2.6557         estimate D2E/DX2                !
 ! D196  D(64,63,78,79)        -60.4864         estimate D2E/DX2                !
 ! D197  D(64,63,78,80)         56.885          estimate D2E/DX2                !
 ! D198  D(64,63,78,81)        178.2568         estimate D2E/DX2                !
 ! D199  D(65,63,78,79)        118.0519         estimate D2E/DX2                !
 ! D200  D(65,63,78,80)       -124.5767         estimate D2E/DX2                !
 ! D201  D(65,63,78,81)         -3.2049         estimate D2E/DX2                !
 ! D202  D(63,65,66,67)        -91.3855         estimate D2E/DX2                !
 ! D203  D(63,65,66,70)         25.0869         estimate D2E/DX2                !
 ! D204  D(63,65,66,71)        144.2601         estimate D2E/DX2                !
 ! D205  D(72,65,66,67)         85.2102         estimate D2E/DX2                !
 ! D206  D(72,65,66,70)       -158.3174         estimate D2E/DX2                !
 ! D207  D(72,65,66,71)        -39.1442         estimate D2E/DX2                !
 ! D208  D(65,66,67,68)         24.2226         estimate D2E/DX2                !
 ! D209  D(65,66,67,69)       -159.0125         estimate D2E/DX2                !
 ! D210  D(70,66,67,68)        -94.2533         estimate D2E/DX2                !
 ! D211  D(70,66,67,69)         82.5117         estimate D2E/DX2                !
 ! D212  D(71,66,67,68)        147.6316         estimate D2E/DX2                !
 ! D213  D(71,66,67,69)        -35.6034         estimate D2E/DX2                !
 ! D214  D(66,67,68,28)         63.3049         estimate D2E/DX2                !
 ! D215  D(69,67,68,28)       -113.1786         estimate D2E/DX2                !
 ! D216  D(66,67,69,73)          8.0166         estimate D2E/DX2                !
 ! D217  D(66,67,69,74)       -174.9823         estimate D2E/DX2                !
 ! D218  D(68,67,69,73)       -175.2824         estimate D2E/DX2                !
 ! D219  D(68,67,69,74)          1.7187         estimate D2E/DX2                !
 ! D220  D(67,69,74,75)       -114.2648         estimate D2E/DX2                !
 ! D221  D(67,69,74,76)          5.0422         estimate D2E/DX2                !
 ! D222  D(67,69,74,77)        124.6738         estimate D2E/DX2                !
 ! D223  D(73,69,74,75)         62.7648         estimate D2E/DX2                !
 ! D224  D(73,69,74,76)       -177.9282         estimate D2E/DX2                !
 ! D225  D(73,69,74,77)        -58.2967         estimate D2E/DX2                !
 --------------------------------------------------------------------------------
 Trust Radius=3.00D-01 FncErr=1.00D-07 GrdErr=1.00D-06
 Number of steps in this run=    486 maximum allowed number of steps=    486.
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.773357   -0.824199    4.384201
      2          6           0       -2.853305   -1.894728    3.740876
      3          6           0       -1.664046   -1.312758    3.030273
      4          6           0       -1.521248   -0.136625    2.309766
      5          7           0       -0.389862   -1.899368    3.020923
      6          6           0        0.462011   -1.090034    2.309213
      7          7           0       -0.192891   -0.007026    1.862051
      8          6           0       -5.165259    0.221609    0.827235
      9          6           0       -5.497269    0.407268   -0.670113
     10          6           0       -4.841985   -0.664908   -1.584969
     11          6           0       -3.346937   -0.437290   -1.729888
     12          8           0       -2.974459    0.849651   -1.807793
     13          8           0       -2.505658   -1.390721   -1.723881
     14          6           0       -2.512776    4.982964    0.692015
     15          6           0       -1.673137    5.047561   -0.599189
     16          6           0       -0.824479    3.823617   -0.832144
     17          6           0       -1.055694    2.460645   -0.704192
     18          7           0        0.502324    3.917187   -1.286939
     19          6           0        1.020933    2.656449   -1.417597
     20          7           0        0.099130    1.747320   -1.069743
     21          6           0        4.770200    2.228082    3.478825
     22          6           0        5.385932    1.016948    2.746762
     23          6           0        4.411913    0.344532    1.816608
     24          6           0        3.060245    0.542678    1.580166
     25          7           0        4.774225   -0.699714    0.950080
     26          6           0        3.670938   -1.095151    0.232444
     27          7           0        2.613157   -0.358056    0.599958
     28         30           0        0.793501   -0.188911   -0.488430
     29          1           0       -4.636335   -1.304581    4.860407
     30          1           0       -4.146407   -0.125981    3.627847
     31          1           0       -3.247503   -0.244458    5.154699
     32          1           0       -3.427056   -2.470642    3.006788
     33          1           0       -2.526681   -2.604959    4.514388
     34          1           0       -2.284209    0.598551    2.100562
     35          1           0       -0.140723   -2.776997    3.458948
     36          1           0        1.498742   -1.320848    2.129170
     37          1           0       -4.100712   -0.001462    0.970641
     38          1           0       -5.743742   -0.608313    1.256294
     39          1           0       -5.404898    1.131405    1.393394
     40          1           0       -6.585957    0.358720   -0.813322
     41          1           0       -5.169707    1.400514   -1.004749
     42          1           0       -4.997611   -1.666405   -1.168654
     43          1           0       -5.304300   -0.620556   -2.579163
     44          1           0       -3.201335    4.128364    0.674034
     45          1           0       -3.109610    5.894275    0.802548
     46          1           0       -1.873540    4.889116    1.579549
     47          1           0       -2.348790    5.185044   -1.457021
     48          1           0       -1.025838    5.937159   -0.566894
     49          1           0       -1.959702    1.953114   -0.411545
     50          1           0        0.988416    4.778297   -1.503633
     51          1           0        2.011939    2.421496   -1.768800
     52          1           0        4.431764    2.993521    2.769160
     53          1           0        3.913971    1.928022    4.094997
     54          1           0        5.513505    2.693588    4.135382
     55          1           0        5.746336    0.288722    3.488507
     56          1           0        6.271992    1.347255    2.184257
     57          1           0        2.398673    1.270389    2.021898
     58          1           0        5.699290   -1.102710    0.868260
     59          1           0        3.649109   -1.875220   -0.517535
     60          8           0       -0.976969   -0.625798   -1.150370
     61          1           0       -1.559156    0.149359   -1.007526
     62          1           0       -1.564217   -1.152017   -1.813042
     63          6           0        2.450307   -0.534942   -2.904867
     64          8           0        1.823379    0.424057   -2.357126
     65          7           0        1.863037   -1.739617   -3.151427
     66          6           0        0.488220   -2.041921   -2.766091
     67          6           0        0.396675   -2.676005   -1.366406
     68          8           0        1.294004   -2.494765   -0.497105
     69          7           0       -0.748758   -3.378160   -1.128540
     70          1           0       -0.078307   -1.098977   -2.699307
     71          1           0        0.025946   -2.683885   -3.525381
     72          1           0        2.419769   -2.472567   -3.574710
     73          1           0       -1.389599   -3.542894   -1.897073
     74          6           0       -1.077965   -3.968629    0.177709
     75          1           0       -1.094520   -5.064287    0.121552
     76          1           0       -0.310998   -3.665310    0.893063
     77          1           0       -2.056426   -3.612006    0.520242
     78          6           0        3.892937   -0.373345   -3.348668
     79          1           0        3.956900    0.425200   -4.096610
     80          1           0        4.499967   -0.069446   -2.488803
     81          1           0        4.314475   -1.288506   -3.776072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.1060688      0.0750592      0.0737112
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      5083.9217264321 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   34186 LenP2D=  126138.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.29D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.72199368     A.U. after   17 cycles
            NFock= 17  Conv=0.45D-08     -V/T= 1.9777

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.23601 -19.22935 -19.18265 -19.16087 -19.12975
 Alpha  occ. eigenvalues --  -14.50701 -14.48813 -14.47565 -14.46206 -14.46143
 Alpha  occ. eigenvalues --  -14.45507 -14.41562 -14.39999 -10.43182 -10.41790
 Alpha  occ. eigenvalues --  -10.37442 -10.37177 -10.34868 -10.33883 -10.33421
 Alpha  occ. eigenvalues --  -10.32260 -10.31897 -10.31892 -10.30943 -10.30593
 Alpha  occ. eigenvalues --  -10.30189 -10.30178 -10.28884 -10.28204 -10.27017
 Alpha  occ. eigenvalues --  -10.26877 -10.26791 -10.25169 -10.24641 -10.24128
 Alpha  occ. eigenvalues --  -10.23510 -10.23195  -1.20469  -1.17263  -1.16043
 Alpha  occ. eigenvalues --   -1.14413  -1.10994  -1.09713  -1.05476  -1.04513
 Alpha  occ. eigenvalues --   -1.02832  -1.01361  -1.00231  -0.96600  -0.95488
 Alpha  occ. eigenvalues --   -0.90324  -0.88693  -0.87818  -0.86265  -0.84272
 Alpha  occ. eigenvalues --   -0.84116  -0.83719  -0.81073  -0.79961  -0.79246
 Alpha  occ. eigenvalues --   -0.76754  -0.74614  -0.74295  -0.72512  -0.72209
 Alpha  occ. eigenvalues --   -0.71568  -0.70856  -0.70632  -0.70038  -0.69957
 Alpha  occ. eigenvalues --   -0.69333  -0.67583  -0.67332  -0.66911  -0.66805
 Alpha  occ. eigenvalues --   -0.66696  -0.66579  -0.65896  -0.65333  -0.64685
 Alpha  occ. eigenvalues --   -0.64256  -0.62742  -0.62582  -0.61535  -0.59920
 Alpha  occ. eigenvalues --   -0.58146  -0.57806  -0.57053  -0.56319  -0.55991
 Alpha  occ. eigenvalues --   -0.55565  -0.54876  -0.54449  -0.53994  -0.53861
 Alpha  occ. eigenvalues --   -0.53603  -0.53324  -0.52971  -0.52833  -0.52713
 Alpha  occ. eigenvalues --   -0.52372  -0.52274  -0.51648  -0.51479  -0.50890
 Alpha  occ. eigenvalues --   -0.50733  -0.50509  -0.50401  -0.49621  -0.49487
 Alpha  occ. eigenvalues --   -0.49047  -0.48574  -0.48391  -0.47871  -0.47295
 Alpha  occ. eigenvalues --   -0.46968  -0.46496  -0.46127  -0.45629  -0.45436
 Alpha  occ. eigenvalues --   -0.45144  -0.44326  -0.44039  -0.43855  -0.43240
 Alpha  occ. eigenvalues --   -0.43063  -0.42687  -0.41796  -0.40673  -0.40476
 Alpha  occ. eigenvalues --   -0.39817  -0.39804  -0.39479  -0.38667  -0.37967
 Alpha  occ. eigenvalues --   -0.37556  -0.37314  -0.36551  -0.36267  -0.35796
 Alpha  occ. eigenvalues --   -0.35017  -0.34761  -0.33186  -0.31534  -0.30819
 Alpha  occ. eigenvalues --   -0.29648  -0.27963
 Alpha virt. eigenvalues --   -0.12270  -0.10984  -0.10054  -0.07940  -0.06247
 Alpha virt. eigenvalues --   -0.06103  -0.05743  -0.05453  -0.04252  -0.03556
 Alpha virt. eigenvalues --   -0.03141  -0.02374  -0.02072  -0.01537  -0.00018
 Alpha virt. eigenvalues --    0.00498   0.00850   0.01391   0.01943   0.02200
 Alpha virt. eigenvalues --    0.02737   0.02847   0.03601   0.04375   0.04931
 Alpha virt. eigenvalues --    0.05306   0.05578   0.06117   0.06183   0.06525
 Alpha virt. eigenvalues --    0.07045   0.07182   0.07595   0.07970   0.08263
 Alpha virt. eigenvalues --    0.08400   0.08700   0.08938   0.09075   0.09478
 Alpha virt. eigenvalues --    0.09787   0.09943   0.10297   0.10394   0.10668
 Alpha virt. eigenvalues --    0.11260   0.11441   0.11634   0.11887   0.12205
 Alpha virt. eigenvalues --    0.12315   0.12524   0.12665   0.12719   0.13063
 Alpha virt. eigenvalues --    0.13289   0.13617   0.13732   0.13845   0.14117
 Alpha virt. eigenvalues --    0.14253   0.14866   0.14990   0.15222   0.15551
 Alpha virt. eigenvalues --    0.15910   0.16091   0.16323   0.16734   0.16907
 Alpha virt. eigenvalues --    0.17476   0.17627   0.18017   0.18342   0.18665
 Alpha virt. eigenvalues --    0.18759   0.19060   0.19495   0.19683   0.19914
 Alpha virt. eigenvalues --    0.20642   0.21055   0.21158   0.21768   0.22114
 Alpha virt. eigenvalues --    0.22225   0.22547   0.22573   0.23025   0.23203
 Alpha virt. eigenvalues --    0.23738   0.23960   0.24194   0.24843   0.25176
 Alpha virt. eigenvalues --    0.25383   0.25620   0.26399   0.26825   0.26931
 Alpha virt. eigenvalues --    0.27047   0.27106   0.27681   0.28157   0.28544
 Alpha virt. eigenvalues --    0.29127   0.29279   0.29755   0.30015   0.30687
 Alpha virt. eigenvalues --    0.30990   0.32119   0.32296   0.32622   0.32924
 Alpha virt. eigenvalues --    0.33576   0.34077   0.34496   0.35024   0.35611
 Alpha virt. eigenvalues --    0.35648   0.35881   0.36472   0.36616   0.36785
 Alpha virt. eigenvalues --    0.37453   0.37704   0.38001   0.38269   0.38755
 Alpha virt. eigenvalues --    0.39181   0.39660   0.39706   0.40002   0.40175
 Alpha virt. eigenvalues --    0.40526   0.41233   0.42384   0.42475   0.42712
 Alpha virt. eigenvalues --    0.43137   0.43216   0.43635   0.44188   0.44553
 Alpha virt. eigenvalues --    0.45245   0.45290   0.45640   0.46750   0.47191
 Alpha virt. eigenvalues --    0.47344   0.48040   0.48838   0.49574   0.50067
 Alpha virt. eigenvalues --    0.50483   0.50655   0.51384   0.51931   0.52330
 Alpha virt. eigenvalues --    0.53408   0.54161   0.54368   0.54841   0.54900
 Alpha virt. eigenvalues --    0.57061   0.57657   0.58057   0.60257   0.61733
 Alpha virt. eigenvalues --    0.62602   0.63623   0.64640   0.65718   0.66703
 Alpha virt. eigenvalues --    0.69496   0.70340   0.71186   0.71750   0.72099
 Alpha virt. eigenvalues --    0.73546   0.74345   0.75013   0.76282   0.77215
 Alpha virt. eigenvalues --    0.77716   0.78047   0.79007   0.79855   0.80224
 Alpha virt. eigenvalues --    0.81771   0.82502   0.83330   0.83992   0.84529
 Alpha virt. eigenvalues --    0.85689   0.86806   0.87518   0.89327   0.90345
 Alpha virt. eigenvalues --    0.91068   0.91564   0.92696   0.93555   0.95046
 Alpha virt. eigenvalues --    0.95493   0.96613   0.96719   0.97428   0.98022
 Alpha virt. eigenvalues --    0.98702   0.99411   0.99866   1.00347   1.00698
 Alpha virt. eigenvalues --    1.01417   1.02032   1.02155   1.02354   1.03229
 Alpha virt. eigenvalues --    1.03844   1.04079   1.04404   1.05030   1.05319
 Alpha virt. eigenvalues --    1.05564   1.06192   1.06383   1.06570   1.06999
 Alpha virt. eigenvalues --    1.07920   1.08142   1.09026   1.09317   1.09581
 Alpha virt. eigenvalues --    1.10263   1.10998   1.11836   1.12160   1.12544
 Alpha virt. eigenvalues --    1.13072   1.13848   1.14294   1.14824   1.16210
 Alpha virt. eigenvalues --    1.17106   1.17765   1.18302   1.20199   1.20433
 Alpha virt. eigenvalues --    1.20576   1.21422   1.21576   1.23208   1.24072
 Alpha virt. eigenvalues --    1.25023   1.25174   1.28368   1.29705   1.31885
 Alpha virt. eigenvalues --    1.33288   1.35003   1.37306   1.38631   1.41442
 Alpha virt. eigenvalues --    1.44039   1.44449   1.46295   1.46600   1.47569
 Alpha virt. eigenvalues --    1.48642   1.50198   1.51800   1.53466   1.55179
 Alpha virt. eigenvalues --    1.57970   1.61655   1.64032   1.65572   1.71358
 Alpha virt. eigenvalues --    1.72547   1.73818   1.76226   1.79135   1.86980
 Alpha virt. eigenvalues --    1.93078   1.98040   2.00295   2.05763   9.99058
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C   -0.624909
     2  C   -0.438953
     3  C    0.363403
     4  C   -0.362663
     5  N   -0.439109
     6  C   -0.097338
     7  N   -0.194701
     8  C   -0.656218
     9  C   -0.322574
    10  C   -0.413288
    11  C    0.229156
    12  O   -0.442649
    13  O   -0.393291
    14  C   -0.622971
    15  C   -0.431747
    16  C    0.328953
    17  C   -0.284540
    18  N   -0.419517
    19  C   -0.115685
    20  N   -0.234417
    21  C   -0.615755
    22  C   -0.426242
    23  C    0.326642
    24  C   -0.326600
    25  N   -0.399355
    26  C   -0.108915
    27  N   -0.300570
    28  Zn   0.971455
    29  H    0.213063
    30  H    0.224421
    31  H    0.214654
    32  H    0.217792
    33  H    0.197694
    34  H    0.257438
    35  H    0.314851
    36  H    0.287979
    37  H    0.199360
    38  H    0.200332
    39  H    0.204368
    40  H    0.188186
    41  H    0.224686
    42  H    0.183462
    43  H    0.221681
    44  H    0.209680
    45  H    0.212607
    46  H    0.207338
    47  H    0.231700
    48  H    0.186402
    49  H    0.271920
    50  H    0.315018
    51  H    0.281056
    52  H    0.208588
    53  H    0.210672
    54  H    0.224002
    55  H    0.224630
    56  H    0.215945
    57  H    0.302032
    58  H    0.333878
    59  H    0.293403
    60  O   -0.938073
    61  H    0.408873
    62  H    0.432854
    63  C    0.372600
    64  O   -0.364623
    65  N   -0.348898
    66  C   -0.493571
    67  C    0.378173
    68  O   -0.372746
    69  N   -0.326895
    70  H    0.358173
    71  H    0.245398
    72  H    0.322574
    73  H    0.337640
    74  C   -0.564896
    75  H    0.228162
    76  H    0.248506
    77  H    0.242670
    78  C   -0.727123
    79  H    0.267958
    80  H    0.250079
    81  H    0.216727
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.027230
     2  C   -0.023467
     3  C    0.363403
     4  C   -0.105225
     5  N   -0.124257
     6  C    0.190641
     7  N   -0.194701
     8  C   -0.052158
     9  C    0.090298
    10  C   -0.008145
    11  C    0.229156
    12  O   -0.442649
    13  O    0.039563
    14  C    0.006654
    15  C   -0.013645
    16  C    0.328953
    17  C   -0.012620
    18  N   -0.104499
    19  C    0.165371
    20  N   -0.234417
    21  C    0.027508
    22  C    0.014332
    23  C    0.326642
    24  C   -0.024568
    25  N   -0.065478
    26  C    0.184488
    27  N   -0.300570
    28  Zn   0.971455
    60  O   -0.529200
    63  C    0.372600
    64  O   -0.364623
    65  N   -0.026324
    66  C    0.110000
    67  C    0.378173
    68  O   -0.372746
    69  N    0.010745
    74  C    0.154441
    78  C    0.007641
 Electronic spatial extent (au):  <R**2>=          18774.0453
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             11.1727    Y=             -4.7313    Z=              0.7009  Tot=             12.1534
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -146.7362   YY=           -168.9308   ZZ=           -186.1968
   XY=              3.9089   XZ=            -13.2173   YZ=              2.9004
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             20.5517   YY=             -1.6429   ZZ=            -18.9088
   XY=              3.9089   XZ=            -13.2173   YZ=              2.9004
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            326.6521  YYY=             46.3467  ZZZ=            -45.2422  XYY=             14.0984
  XXY=            -46.6327  XXZ=             34.6667  XZZ=             91.7507  YZZ=           -105.2615
  YYZ=            -51.2138  XYZ=             27.0652
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -9568.0901 YYYY=          -5346.3471 ZZZZ=          -5722.8191 XXXY=            -98.6038
 XXXZ=            233.7665 YYYX=             74.7062 YYYZ=           -146.5378 ZZZX=           -228.0231
 ZZZY=             63.8892 XXYY=          -2840.4323 XXZZ=          -2490.3957 YYZZ=          -1816.3613
 XXYZ=            119.3130 YYXZ=            -87.4547 ZZXY=             75.6649
 N-N= 5.083921726432D+03 E-N=-1.446724196791D+04  KE= 1.861155344521D+03
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   34186 LenP2D=  126138.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000375623   -0.000153354    0.001045877
      3        6           0.001045001   -0.007807844    0.002411678
      4        6          -0.005549202   -0.000163829   -0.000994379
      5        7           0.003531727    0.002278260    0.004275912
      6        6           0.006942182    0.000649160    0.007504624
      7        7          -0.006997523    0.005050700   -0.005328575
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.001975008    0.002513649   -0.003082397
     10        6           0.000107588   -0.002568197    0.012735914
     11        6           0.057542489   -0.049209479   -0.053358694
     12        8          -0.003106275    0.047380929    0.026404292
     13        8           0.206464156    0.225624283   -0.014166113
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000351147    0.003186772   -0.003046911
     16        6          -0.001619513    0.000369715    0.002122492
     17        6          -0.003464406   -0.011249634    0.001847169
     18        7          -0.000424383   -0.003142207   -0.003783097
     19        6           0.003829805   -0.006487323   -0.002716012
     20        7           0.000489439   -0.028035382    0.004002148
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000098955   -0.000143558    0.000582600
     23        6           0.000936839   -0.000502762   -0.000626935
     24        6          -0.003043755   -0.003994393   -0.003183747
     25        7          -0.002105286    0.003034603   -0.000522106
     26        6           0.000003608   -0.000241831   -0.000152957
     27        7          -0.003832542   -0.008150533   -0.014678056
     28       30           0.013767476   -0.029868346    0.003000008
     29        1           0.000215248    0.000591997   -0.000718527
     30        1           0.000919358    0.000046639    0.000126047
     31        1          -0.001442740    0.001439699   -0.000829646
     32        1           0.004127967    0.003475005    0.001572013
     33        1          -0.000440181   -0.000208897   -0.000479446
     34        1          -0.003993473   -0.001329880   -0.000454841
     35        1           0.000817380   -0.001189819    0.000899790
     36        1           0.005963971    0.001694462    0.003015291
     37        1          -0.000124584   -0.000607911   -0.000620696
     38        1          -0.000639696   -0.000387241    0.000575793
     39        1           0.000413133    0.000439088    0.000783799
     40        1           0.000667431   -0.001030045    0.000738314
     41        1          -0.000762593    0.002898486    0.000880985
     42        1           0.001980279    0.004253674   -0.000685757
     43        1          -0.001974224    0.001156807   -0.000493878
     44        1          -0.000356286   -0.000552474   -0.000361256
     45        1           0.001317726   -0.000201647   -0.000584557
     46        1          -0.000201721    0.000788137   -0.000281879
     47        1           0.000087872   -0.001057771    0.000198120
     48        1           0.000145843    0.000458592    0.000125236
     49        1          -0.000971845   -0.005561486   -0.002462578
     50        1           0.000942956    0.000364423   -0.000266290
     51        1           0.003666213   -0.003535398   -0.001275897
     52        1          -0.000013348    0.000614793    0.000132515
     53        1          -0.000176833   -0.000258501    0.000130139
     54        1          -0.000013896    0.000435492    0.000700304
     55        1           0.000001527   -0.000232902    0.000339204
     56        1           0.000131200    0.000543295   -0.000463882
     57        1           0.000315711    0.001570588    0.000695896
     58        1          -0.000171752   -0.000324065    0.000974096
     59        1           0.000504157   -0.003883420    0.004376591
     60        8          -0.155726274   -0.200346893    0.055284161
     61        1          -0.010189598   -0.014243565   -0.003102341
     62        1          -0.056000771    0.003584326   -0.012062371
     63        6          -0.013063581    0.006225680   -0.010855381
     64        8          -0.015637930    0.015979239    0.012106054
     65        7          -0.002882513    0.001350737    0.000936520
     66        6          -0.006965194    0.008667813   -0.007200290
     67        6           0.022888944    0.038818733    0.000898530
     68        8          -0.007334352   -0.010803493    0.001825188
     69        7          -0.025839762    0.007014571    0.004751854
     70        1          -0.011374868    0.007030612   -0.004761310
     71        1          -0.000682195   -0.000555409    0.000857519
     72        1          -0.000355651    0.000117302   -0.000302823
     73        1           0.004822886   -0.004544551   -0.000480906
     74        6          -0.000125055   -0.000837155   -0.001763096
     75        1           0.000048156    0.000502691   -0.000888028
     76        1           0.000638806    0.000599870   -0.000757891
     77        1          -0.000589381   -0.000526059   -0.001828710
     78        6           0.000525019    0.001142817   -0.000682343
     79        1           0.000318527   -0.000117145    0.000276931
     80        1           0.000218498   -0.000368920   -0.000707865
     81        1          -0.000374850    0.000199319   -0.000479114
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.225624283 RMS     0.027515903

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.261460661 RMS     0.020054769
 Search for a local minimum.
 Step number   1 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Second derivative matrix not updated -- first step.
 ITU=  0
     Eigenvalues ---    0.00230   0.00230   0.00230   0.00230   0.00343
     Eigenvalues ---    0.00368   0.00528   0.00531   0.00570   0.00601
     Eigenvalues ---    0.00705   0.00755   0.00783   0.00853   0.00964
     Eigenvalues ---    0.01028   0.01262   0.01301   0.01329   0.01353
     Eigenvalues ---    0.01371   0.01375   0.01407   0.01439   0.01596
     Eigenvalues ---    0.01649   0.01709   0.01767   0.01788   0.01831
     Eigenvalues ---    0.01842   0.01851   0.01904   0.01930   0.01932
     Eigenvalues ---    0.02094   0.02117   0.02139   0.02163   0.02172
     Eigenvalues ---    0.02263   0.02268   0.02294   0.02364   0.02483
     Eigenvalues ---    0.02802   0.02872   0.02911   0.03377   0.03793
     Eigenvalues ---    0.03879   0.03989   0.04037   0.04122   0.04408
     Eigenvalues ---    0.04565   0.04767   0.05131   0.05297   0.05363
     Eigenvalues ---    0.05363   0.05385   0.05394   0.05438   0.05441
     Eigenvalues ---    0.05473   0.05508   0.05510   0.05526   0.05527
     Eigenvalues ---    0.06001   0.06419   0.06848   0.06921   0.07121
     Eigenvalues ---    0.07302   0.07305   0.07450   0.07599   0.08326
     Eigenvalues ---    0.08368   0.08730   0.09176   0.09386   0.09532
     Eigenvalues ---    0.09537   0.09682   0.09924   0.10694   0.10727
     Eigenvalues ---    0.12293   0.12554   0.12748   0.12871   0.12947
     Eigenvalues ---    0.12954   0.13287   0.14228   0.15343   0.15979
     Eigenvalues ---    0.15984   0.15986   0.15991   0.15992   0.15995
     Eigenvalues ---    0.15996   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16431   0.16874
     Eigenvalues ---    0.17804   0.18186   0.19385   0.19798   0.20230
     Eigenvalues ---    0.21013   0.21542   0.21807   0.22000   0.22003
     Eigenvalues ---    0.22179   0.22498   0.22662   0.22902   0.23184
     Eigenvalues ---    0.23368   0.23371   0.24000   0.24384   0.24781
     Eigenvalues ---    0.24922   0.24971   0.24996   0.26850   0.27423
     Eigenvalues ---    0.27435   0.27943   0.28169   0.28319   0.30074
     Eigenvalues ---    0.30562   0.31335   0.31500   0.31674   0.33454
     Eigenvalues ---    0.33611   0.33618   0.33651   0.33663   0.33711
     Eigenvalues ---    0.33777   0.33808   0.33869   0.33894   0.33900
     Eigenvalues ---    0.33927   0.33946   0.33980   0.33983   0.33991
     Eigenvalues ---    0.34007   0.34046   0.34071   0.34074   0.34093
     Eigenvalues ---    0.34130   0.34163   0.34177   0.34180   0.34204
     Eigenvalues ---    0.34247   0.34256   0.34300   0.34608   0.35439
     Eigenvalues ---    0.35642   0.35713   0.35997   0.36221   0.36319
     Eigenvalues ---    0.36327   0.36329   0.38373   0.38938   0.39204
     Eigenvalues ---    0.40272   0.41532   0.42236   0.42401   0.44896
     Eigenvalues ---    0.45052   0.45288   0.45460   0.45461   0.45582
     Eigenvalues ---    0.45589   0.45637   0.46293   0.48903   0.49042
     Eigenvalues ---    0.49266   0.49472   0.49650   0.52066   0.54333
     Eigenvalues ---    0.54411   0.54797   0.54837   0.70925   0.73366
     Eigenvalues ---    0.757231000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 RFO step:  Lambda=-3.02887045D-01 EMin= 2.30000000D-03
 Linear search not attempted -- first point.
 Maximum step size (   0.300) exceeded in Quadratic search.
    -- Step size scaled by   0.457
 Iteration  1 RMS(Cart)=  0.08198802 RMS(Int)=  0.00103839
 Iteration  2 RMS(Cart)=  0.00201934 RMS(Int)=  0.00012103
 Iteration  3 RMS(Cart)=  0.00000272 RMS(Int)=  0.00012102
 Iteration  4 RMS(Cart)=  0.00000097 RMS(Int)=  0.00012102
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48452   0.00187   0.00000   0.00000   0.00000   8.48452
    Y1       -0.92762  -0.00087   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47501  -0.00350   0.00000   0.00000   0.00000   7.47501
    X8       10.19805   0.00960   0.00000   0.00000   0.00000  10.19805
    Y8        1.20623   0.00415   0.00000   0.00000   0.00000   1.20623
    Z8        0.50967   0.00004   0.00000   0.00000   0.00000   0.50967
   X14        7.21039  -0.00782   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00001   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00246   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13879  -0.00378   0.00000   0.00000   0.00000  -6.13879
   Y21       -9.38867  -0.00561   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09467  -0.00137   0.00000   0.00000   0.00000   4.09467
    R1        2.93145  -0.00356   0.00000  -0.00370  -0.00386   2.92759
    R2        2.07205  -0.00001   0.00000   0.00000   0.00002   2.07206
    R3        2.06901   0.00018   0.00000   0.00013   0.00021   2.06922
    R4        2.07551  -0.00129   0.00000  -0.00092  -0.00093   2.07458
    R5        2.83961   0.00575   0.00000   0.00396   0.00394   2.84355
    R6        2.06988   0.00367   0.00000   0.00260   0.00260   2.07248
    R7        2.07821  -0.00035   0.00000  -0.00025  -0.00025   2.07796
    R8        2.62040   0.00423   0.00000   0.00297   0.00309   2.62349
    R9        2.65084  -0.00733   0.00000  -0.00498  -0.00504   2.64580
   R10        2.66027   0.00128   0.00000   0.00108   0.00112   2.66139
   R11        2.04087  -0.00250   0.00000  -0.00172  -0.00172   2.03915
   R12        2.59605   0.00301   0.00000   0.00119   0.00109   2.59714
   R13        1.91242  -0.00010   0.00000  -0.00006  -0.00006   1.91237
   R14        2.53657   0.00753   0.00000   0.00411   0.00410   2.54067
   R15        2.03574  -0.00592   0.00000  -0.00406  -0.00406   2.03167
   R16        4.82928   0.01156   0.00000   0.01427   0.01426   4.84354
   R17        2.91946   0.00307   0.00000   0.00218   0.00205   2.92151
   R18        2.07318   0.00004   0.00000   0.00003   0.00020   2.07338
   R19        2.07655  -0.00011   0.00000  -0.00008  -0.00009   2.07646
   R20        2.07499  -0.00017   0.00000  -0.00012  -0.00020   2.07479
   R21        2.93724  -0.00517   0.00000  -0.00259  -0.00249   2.93475
   R22        2.07707   0.00013   0.00000   0.00009   0.00009   2.07716
   R23        2.07510  -0.00254   0.00000  -0.00181  -0.00181   2.07329
   R24        2.87088  -0.00546   0.00000  -0.00282  -0.00268   2.86820
   R25        2.07055   0.00221   0.00000   0.00157   0.00157   2.07212
   R26        2.07365   0.00050   0.00000   0.00035   0.00035   2.07400
   R27        2.53606  -0.02019   0.00000  -0.01539  -0.01519   2.52087
   R28        2.40286   0.02163   0.00000   0.01238   0.01241   2.41528
   R29        3.34536   0.04432   0.00000   0.04314   0.04352   3.38888
   R30        1.84308   0.26146   0.00000   0.15359   0.15338   1.99646
   R31        2.91311   0.00307   0.00000   0.00178   0.00169   2.91479
   R32        2.07421  -0.00074   0.00000  -0.00053  -0.00055   2.07365
   R33        2.06916   0.00127   0.00000   0.00090   0.00097   2.07013
   R34        2.07453  -0.00049   0.00000  -0.00035  -0.00034   2.07418
   R35        2.84874   0.00657   0.00000   0.00341   0.00333   2.85208
   R36        2.07980  -0.00056   0.00000  -0.00040  -0.00040   2.07941
   R37        2.07992  -0.00049   0.00000  -0.00035  -0.00035   2.07957
   R38        2.62361  -0.00235   0.00000  -0.00242  -0.00248   2.62113
   R39        2.65639  -0.00365   0.00000  -0.00264  -0.00267   2.65373
   R40        2.65645   0.00927   0.00000   0.00478   0.00473   2.66118
   R41        2.03570  -0.00455   0.00000  -0.00312  -0.00312   2.03258
   R42        2.58795   0.00416   0.00000   0.00238   0.00237   2.59032
   R43        1.91297  -0.00042   0.00000  -0.00026  -0.00026   1.91271
   R44        2.53339   0.01164   0.00000   0.00647   0.00649   2.53988
   R45        2.03586  -0.00377   0.00000  -0.00259  -0.00259   2.03327
   R46        4.03936   0.04141   0.00000   0.04478   0.04472   4.08408
   R47        2.91648  -0.00268   0.00000  -0.00135  -0.00128   2.91520
   R48        2.07359  -0.00025   0.00000  -0.00018  -0.00017   2.07342
   R49        2.07253  -0.00011   0.00000  -0.00008  -0.00006   2.07247
   R50        2.07032  -0.00010   0.00000  -0.00007  -0.00015   2.07017
   R51        2.84468  -0.00610   0.00000  -0.00391  -0.00383   2.84084
   R52        2.07903   0.00028   0.00000   0.00020   0.00020   2.07923
   R53        2.07923   0.00002   0.00000   0.00001   0.00001   2.07924
   R54        2.61996  -0.00535   0.00000  -0.00344  -0.00340   2.61657
   R55        2.65410  -0.00019   0.00000   0.00026   0.00027   2.65437
   R56        2.65372  -0.00357   0.00000  -0.00215  -0.00208   2.65163
   R57        2.03737  -0.00069   0.00000  -0.00047  -0.00047   2.03690
   R58        2.59699  -0.00029   0.00000   0.00036   0.00037   2.59736
   R59        1.91306   0.00030   0.00000   0.00018   0.00018   1.91324
   R60        2.53342   0.00169   0.00000   0.00088   0.00087   2.53429
   R61        2.04532  -0.00485   0.00000  -0.00336  -0.00336   2.04196
   R62        4.01954  -0.00047   0.00000  -0.00029  -0.00023   4.01931
   R63        3.66607   0.03058   0.00000   0.03127   0.03139   3.69746
   R64        4.19519   0.02093   0.00000   0.02406   0.02418   4.21937
   R65        4.45893   0.03589   0.00000   0.04170   0.04181   4.50074
   R66        1.85175   0.01554   0.00000   0.00684   0.00691   1.85866
   R67        1.94642   0.22773   0.00000   0.15022   0.14982   2.09624
   R68        2.39983   0.02259   0.00000   0.01055   0.01053   2.41037
   R69        2.57511   0.00775   0.00000   0.00476   0.00456   2.57966
   R70        2.86856  -0.00043   0.00000  -0.00032  -0.00032   2.86824
   R71        2.75796   0.00140   0.00000   0.00027   0.00006   2.75802
   R72        1.91445   0.00034   0.00000   0.00020   0.00020   1.91465
   R73        2.90893   0.01009   0.00000   0.00903   0.00896   2.91788
   R74        2.08261  -0.01018   0.00000  -0.00731  -0.00731   2.07530
   R75        2.07211  -0.00091   0.00000  -0.00065  -0.00065   2.07146
   R76        2.38565   0.02533   0.00000   0.01128   0.01143   2.39708
   R77        2.57836  -0.01445   0.00000  -0.00802  -0.00802   2.57034
   R78        1.91643  -0.00059   0.00000  -0.00036  -0.00036   1.91607
   R79        2.77945  -0.00501   0.00000  -0.00348  -0.00348   2.77597
   R80        2.07345   0.00003   0.00000   0.00002   0.00002   2.07347
   R81        2.06315  -0.00111   0.00000  -0.00078  -0.00078   2.06237
   R82        2.07173  -0.00059   0.00000  -0.00042  -0.00042   2.07130
   R83        2.07111  -0.00023   0.00000  -0.00017  -0.00017   2.07094
   R84        2.07027  -0.00021   0.00000  -0.00015  -0.00015   2.07012
   R85        2.06827   0.00034   0.00000   0.00024   0.00024   2.06851
    A1        1.92257  -0.00002   0.00000  -0.00001   0.00003   1.92260
    A2        1.93444   0.00129   0.00000   0.00125   0.00126   1.93571
    A3        1.95114  -0.00242   0.00000  -0.00238  -0.00232   1.94881
    A4        1.88730  -0.00073   0.00000  -0.00074  -0.00081   1.88650
    A5        1.87906   0.00143   0.00000   0.00146   0.00145   1.88051
    A6        1.88719   0.00050   0.00000   0.00047   0.00043   1.88762
    A7        1.98040   0.00212   0.00000   0.00213   0.00216   1.98255
    A8        1.90722  -0.00206   0.00000  -0.00193  -0.00191   1.90531
    A9        1.90725  -0.00101   0.00000  -0.00137  -0.00142   1.90583
   A10        1.87682   0.00295   0.00000   0.00364   0.00364   1.88045
   A11        1.92589  -0.00200   0.00000  -0.00223  -0.00223   1.92366
   A12        1.86231  -0.00008   0.00000  -0.00032  -0.00032   1.86199
   A13        2.28593   0.01127   0.00000   0.01060   0.01075   2.29667
   A14        2.16529  -0.00774   0.00000  -0.00741  -0.00759   2.15770
   A15        1.83143  -0.00355   0.00000  -0.00320  -0.00317   1.82825
   A16        1.91825   0.01015   0.00000   0.00812   0.00803   1.92629
   A17        2.22092  -0.00170   0.00000  -0.00072  -0.00068   2.22024
   A18        2.14401  -0.00846   0.00000  -0.00741  -0.00737   2.13665
   A19        1.89689  -0.00006   0.00000  -0.00054  -0.00054   1.89635
   A20        2.19369  -0.00071   0.00000  -0.00046  -0.00046   2.19323
   A21        2.19257   0.00078   0.00000   0.00101   0.00102   2.19359
   A22        1.92343   0.00715   0.00000   0.00674   0.00678   1.93021
   A23        2.16172  -0.00714   0.00000  -0.00689  -0.00691   2.15480
   A24        2.19782   0.00000   0.00000   0.00017   0.00015   2.19797
   A25        1.85475  -0.01369   0.00000  -0.01112  -0.01109   1.84366
   A26        2.27861   0.00292   0.00000   0.00290   0.00306   2.28167
   A27        1.63149   0.01711   0.00000   0.01505   0.01488   1.64638
   A28        1.93870  -0.00087   0.00000  -0.00088  -0.00093   1.93777
   A29        1.93485   0.00117   0.00000   0.00117   0.00122   1.93607
   A30        1.93185   0.00077   0.00000   0.00075   0.00084   1.93269
   A31        1.88202  -0.00014   0.00000  -0.00013  -0.00023   1.88178
   A32        1.88898  -0.00012   0.00000  -0.00016  -0.00022   1.88876
   A33        1.88553  -0.00085   0.00000  -0.00080  -0.00074   1.88479
   A34        1.97901  -0.00975   0.00000  -0.00472  -0.00440   1.97461
   A35        1.91116   0.00584   0.00000   0.00477   0.00462   1.91579
   A36        1.91766  -0.00002   0.00000  -0.00194  -0.00200   1.91566
   A37        1.88643   0.00372   0.00000   0.00270   0.00262   1.88905
   A38        1.89527   0.00201   0.00000  -0.00021  -0.00031   1.89496
   A39        1.87099  -0.00137   0.00000  -0.00035  -0.00030   1.87069
   A40        1.94731  -0.02465   0.00000  -0.01801  -0.01764   1.92967
   A41        1.92515   0.00647   0.00000   0.00569   0.00567   1.93082
   A42        1.90474   0.00847   0.00000   0.00564   0.00546   1.91020
   A43        1.88911   0.00540   0.00000   0.00298   0.00289   1.89201
   A44        1.89877   0.00936   0.00000   0.00722   0.00710   1.90588
   A45        1.89795  -0.00470   0.00000  -0.00325  -0.00324   1.89471
   A46        2.00683   0.01439   0.00000   0.01224   0.01216   2.01899
   A47        2.13922  -0.00519   0.00000  -0.00122  -0.00111   2.13812
   A48        2.13612  -0.00958   0.00000  -0.01148  -0.01157   2.12455
   A49        1.38605   0.12525   0.00000   0.08987   0.09064   1.47670
   A50        2.04283  -0.07784   0.00000  -0.05081  -0.05155   1.99127
   A51        1.93969  -0.00030   0.00000  -0.00035  -0.00031   1.93939
   A52        1.92471   0.00030   0.00000   0.00033   0.00032   1.92502
   A53        1.94293  -0.00039   0.00000  -0.00037  -0.00034   1.94259
   A54        1.88360  -0.00019   0.00000  -0.00022  -0.00025   1.88334
   A55        1.88806   0.00011   0.00000   0.00004   0.00006   1.88812
   A56        1.88276   0.00050   0.00000   0.00060   0.00054   1.88331
   A57        1.98454   0.01266   0.00000   0.00803   0.00789   1.99243
   A58        1.90045  -0.00646   0.00000  -0.00547  -0.00543   1.89502
   A59        1.90670  -0.00094   0.00000   0.00081   0.00087   1.90757
   A60        1.90348  -0.00313   0.00000  -0.00184  -0.00179   1.90169
   A61        1.90676  -0.00425   0.00000  -0.00240  -0.00238   1.90438
   A62        1.85766   0.00143   0.00000   0.00038   0.00036   1.85802
   A63        2.33100   0.00022   0.00000  -0.00112  -0.00120   2.32980
   A64        2.12623   0.00179   0.00000   0.00313   0.00320   2.12944
   A65        1.82591  -0.00204   0.00000  -0.00205  -0.00205   1.82386
   A66        1.91493   0.01179   0.00000   0.00959   0.00957   1.92451
   A67        2.24890  -0.01015   0.00000  -0.00904  -0.00906   2.23984
   A68        2.11878  -0.00192   0.00000  -0.00092  -0.00095   2.11783
   A69        1.90395  -0.00046   0.00000  -0.00134  -0.00140   1.90255
   A70        2.18844  -0.00051   0.00000  -0.00007  -0.00006   2.18838
   A71        2.19055   0.00086   0.00000   0.00128   0.00130   2.19185
   A72        1.91681   0.00758   0.00000   0.00681   0.00680   1.92361
   A73        2.18979  -0.00760   0.00000  -0.00717  -0.00717   2.18263
   A74        2.17632  -0.00005   0.00000   0.00027   0.00027   2.17659
   A75        1.86317  -0.01685   0.00000  -0.01298  -0.01297   1.85020
   A76        2.28603   0.00729   0.00000   0.00468   0.00466   2.29069
   A77        2.05046   0.01131   0.00000   0.01016   0.01017   2.06063
   A78        1.94303  -0.00044   0.00000  -0.00041  -0.00044   1.94259
   A79        1.94256   0.00025   0.00000   0.00021   0.00018   1.94274
   A80        1.92519  -0.00041   0.00000  -0.00040  -0.00039   1.92480
   A81        1.88958   0.00011   0.00000   0.00011   0.00009   1.88967
   A82        1.87595   0.00071   0.00000   0.00076   0.00081   1.87676
   A83        1.88519  -0.00019   0.00000  -0.00025  -0.00022   1.88497
   A84        1.96653  -0.01051   0.00000  -0.00854  -0.00838   1.95816
   A85        1.90745   0.00062   0.00000  -0.00017  -0.00022   1.90723
   A86        1.90520   0.00546   0.00000   0.00495   0.00490   1.91009
   A87        1.91016   0.00363   0.00000   0.00270   0.00264   1.91280
   A88        1.91693   0.00258   0.00000   0.00204   0.00201   1.91894
   A89        1.85415  -0.00124   0.00000  -0.00051  -0.00050   1.85365
   A90        2.30819  -0.00904   0.00000  -0.00743  -0.00733   2.30086
   A91        2.14889   0.00696   0.00000   0.00622   0.00615   2.15504
   A92        1.82610   0.00209   0.00000   0.00121   0.00118   1.82729
   A93        1.91533   0.00186   0.00000   0.00159   0.00159   1.91693
   A94        2.24572   0.00028   0.00000   0.00042   0.00041   2.24613
   A95        2.12183  -0.00202   0.00000  -0.00185  -0.00186   2.11997
   A96        1.90606  -0.00340   0.00000  -0.00249  -0.00247   1.90359
   A97        2.19145   0.00110   0.00000   0.00065   0.00063   2.19208
   A98        2.18566   0.00229   0.00000   0.00182   0.00181   2.18747
   A99        1.90931   0.00159   0.00000   0.00137   0.00139   1.91069
   A100       2.19619  -0.00224   0.00000  -0.00211  -0.00212   2.19407
   A101       2.17768   0.00066   0.00000   0.00075   0.00074   2.17842
   A102       1.86796  -0.00214   0.00000  -0.00170  -0.00172   1.86624
   A103       2.18771  -0.00456   0.00000  -0.00564  -0.00561   2.18210
   A104       2.18761   0.00758   0.00000   0.00847   0.00845   2.19607
   A105       1.63111  -0.01670   0.00000  -0.01474  -0.01462   1.61649
   A106       1.43562   0.01488   0.00000   0.01316   0.01310   1.44871
   A107       1.54840  -0.01920   0.00000  -0.01857  -0.01851   1.52989
   A108       2.77518   0.01530   0.00000   0.01808   0.01811   2.79328
   A109       1.72623   0.01079   0.00000   0.00954   0.00940   1.73563
   A110       2.08184  -0.01010   0.00000  -0.01208  -0.01204   2.06980
   A111       1.38446   0.01414   0.00000   0.01430   0.01405   1.39850
   A112       1.23626   0.02710   0.00000   0.02742   0.02739   1.26366
   A113       2.83415   0.00961   0.00000   0.01043   0.01034   2.84448
   A114       2.78591  -0.00685   0.00000  -0.00545  -0.00533   2.78058
   A115       1.62663  -0.01297   0.00000  -0.01177  -0.01163   1.61500
   A116       1.31058  -0.00030   0.00000   0.00015   0.00025   1.31083
   A117       1.77046   0.01512   0.00000   0.01353   0.01329   1.78375
   A118       1.54305  -0.00256   0.00000  -0.00099  -0.00091   1.54213
   A119       1.73993  -0.02527   0.00000  -0.02694  -0.02675   1.71318
   A120       1.89054   0.02142   0.00000   0.01162   0.01186   1.90240
   A121       2.59614   0.04900   0.00000   0.04684   0.04682   2.64296
   A122       1.73067  -0.06312   0.00000  -0.05145  -0.05183   1.67884
   A123       2.37751  -0.00102   0.00000  -0.00536  -0.00506   2.37245
   A124       2.23517   0.07880   0.00000   0.08586   0.08616   2.32132
   A125       2.13279   0.02756   0.00000   0.02531   0.02522   2.15802
   A126       2.11166  -0.01364   0.00000  -0.01255  -0.01252   2.09914
   A127       2.03844  -0.01374   0.00000  -0.01256  -0.01253   2.02591
   A128       1.96446   0.01032   0.00000   0.01724   0.01716   1.98162
   A129       2.14280   0.01614   0.00000   0.01424   0.01396   2.15676
   A130       2.06958  -0.00939   0.00000  -0.00819  -0.00805   2.06153
   A131       2.06932  -0.00680   0.00000  -0.00608  -0.00594   2.06338
   A132       1.96213   0.00583   0.00000   0.00623   0.00620   1.96832
   A133       1.89972  -0.00308   0.00000  -0.00549  -0.00548   1.89424
   A134       1.91302  -0.00629   0.00000  -0.00474  -0.00477   1.90825
   A135       1.84084  -0.00410   0.00000  -0.00150  -0.00156   1.83928
   A136       1.94271   0.00746   0.00000   0.00577   0.00586   1.94857
   A137       1.90305  -0.00003   0.00000  -0.00056  -0.00058   1.90247
   A138       2.12318  -0.02567   0.00000  -0.01603  -0.01577   2.10741
   A139       2.00471   0.01381   0.00000   0.00885   0.00870   2.01342
   A140       2.15382   0.01197   0.00000   0.00747   0.00733   2.16115
   A141       1.56285   0.06632   0.00000   0.06246   0.06263   1.62548
   A142       2.07370  -0.00026   0.00000  -0.00008  -0.00008   2.07362
   A143       2.15236   0.00260   0.00000   0.00229   0.00229   2.15465
   A144       2.05599  -0.00220   0.00000  -0.00200  -0.00201   2.05398
   A145       1.93778  -0.00071   0.00000  -0.00067  -0.00067   1.93711
   A146       1.88929   0.00038   0.00000   0.00041   0.00041   1.88970
   A147       1.92480  -0.00265   0.00000  -0.00268  -0.00268   1.92212
   A148       1.89817   0.00086   0.00000   0.00097   0.00097   1.89915
   A149       1.90430   0.00145   0.00000   0.00137   0.00137   1.90567
   A150       1.90910   0.00073   0.00000   0.00066   0.00066   1.90976
   A151       1.90980  -0.00078   0.00000  -0.00084  -0.00084   1.90896
   A152       1.90355   0.00021   0.00000   0.00023   0.00023   1.90378
   A153       1.97272   0.00073   0.00000   0.00077   0.00077   1.97349
   A154       1.87673  -0.00031   0.00000  -0.00042  -0.00042   1.87631
   A155       1.89680  -0.00008   0.00000  -0.00011  -0.00011   1.89669
   A156       1.90185   0.00019   0.00000   0.00031   0.00031   1.90216
    D1        3.11212   0.00182   0.00000   0.00234   0.00232   3.11444
    D2        1.01798  -0.00187   0.00000  -0.00233  -0.00237   1.01561
    D3       -1.01384  -0.00004   0.00000  -0.00008  -0.00012  -1.01396
    D4        1.02413   0.00192   0.00000   0.00247   0.00250   1.02663
    D5       -1.07000  -0.00177   0.00000  -0.00220  -0.00220  -1.07220
    D6       -3.10182   0.00006   0.00000   0.00005   0.00005  -3.10177
    D7       -1.08265   0.00204   0.00000   0.00262   0.00266  -1.08000
    D8        3.10640  -0.00165   0.00000  -0.00205  -0.00204   3.10436
    D9        1.07458   0.00017   0.00000   0.00020   0.00021   1.07479
   D10       -0.60429  -0.00112   0.00000  -0.00218  -0.00225  -0.60654
   D11        2.49615  -0.00212   0.00000  -0.00280  -0.00287   2.49329
   D12        1.50703  -0.00032   0.00000  -0.00073  -0.00074   1.50629
   D13       -1.67571  -0.00132   0.00000  -0.00136  -0.00136  -1.67707
   D14       -2.75130   0.00019   0.00000  -0.00024  -0.00026  -2.75156
   D15        0.34914  -0.00081   0.00000  -0.00086  -0.00088   0.34826
   D16        3.11178  -0.00049   0.00000  -0.00033  -0.00034   3.11144
   D17       -0.02782   0.00235   0.00000   0.00272   0.00269  -0.02513
   D18        0.00547   0.00052   0.00000   0.00036   0.00034   0.00581
   D19       -3.13413   0.00336   0.00000   0.00340   0.00337  -3.13076
   D20       -3.11551   0.00101   0.00000   0.00062   0.00062  -3.11489
   D21        0.03434  -0.00083   0.00000  -0.00127  -0.00129   0.03306
   D22       -0.00607   0.00057   0.00000   0.00045   0.00047  -0.00560
   D23       -3.13940  -0.00127   0.00000  -0.00144  -0.00144  -3.14084
   D24       -0.00285  -0.00138   0.00000  -0.00100  -0.00099  -0.00384
   D25        1.90733   0.01140   0.00000   0.01138   0.01126   1.91858
   D26        3.13685  -0.00406   0.00000  -0.00388  -0.00384   3.13301
   D27       -1.23615   0.00871   0.00000   0.00850   0.00840  -1.22775
   D28        0.00458  -0.00145   0.00000  -0.00108  -0.00110   0.00348
   D29       -3.11560  -0.00198   0.00000  -0.00206  -0.00208  -3.11768
   D30        3.13792   0.00038   0.00000   0.00080   0.00080   3.13872
   D31        0.01774  -0.00015   0.00000  -0.00018  -0.00018   0.01756
   D32       -0.00109   0.00172   0.00000   0.00127   0.00127   0.00017
   D33       -2.34209  -0.00443   0.00000  -0.00485  -0.00490  -2.34699
   D34        3.11855   0.00216   0.00000   0.00216   0.00217   3.12072
   D35        0.77755  -0.00399   0.00000  -0.00396  -0.00399   0.77356
   D36        1.33682   0.00404   0.00000   0.00331   0.00333   1.34015
   D37       -2.86774  -0.00422   0.00000  -0.00717  -0.00722  -2.87497
   D38       -0.04587  -0.00944   0.00000  -0.01032  -0.01026  -0.05613
   D39        2.04317   0.00317   0.00000   0.00325   0.00323   2.04641
   D40       -1.58506  -0.00353   0.00000  -0.00613  -0.00597  -1.59103
   D41       -2.94057   0.00291   0.00000   0.00376   0.00380  -2.93677
   D42       -0.86195  -0.00535   0.00000  -0.00671  -0.00675  -0.86870
   D43        1.95992  -0.01057   0.00000  -0.00986  -0.00978   1.95014
   D44       -2.23422   0.00204   0.00000   0.00370   0.00370  -2.23051
   D45        0.42074  -0.00466   0.00000  -0.00567  -0.00550   0.41524
   D46        0.76941  -0.00167   0.00000  -0.00213  -0.00213   0.76729
   D47        2.87768   0.00073   0.00000   0.00157   0.00157   2.87925
   D48       -1.35492   0.00250   0.00000   0.00284   0.00276  -1.35216
   D49       -1.32275  -0.00170   0.00000  -0.00216  -0.00203  -1.32478
   D50        0.78552   0.00070   0.00000   0.00154   0.00167   0.78718
   D51        2.83610   0.00248   0.00000   0.00280   0.00285   2.83896
   D52        2.86836  -0.00189   0.00000  -0.00241  -0.00246   2.86590
   D53       -1.30655   0.00050   0.00000   0.00129   0.00124  -1.30531
   D54        0.74403   0.00228   0.00000   0.00255   0.00243   0.74646
   D55       -1.27723   0.00858   0.00000   0.01015   0.01001  -1.26722
   D56        0.82308   0.00349   0.00000   0.00586   0.00583   0.82891
   D57        2.90714   0.00690   0.00000   0.00881   0.00874   2.91589
   D58        2.88378   0.00487   0.00000   0.00525   0.00516   2.88894
   D59       -1.29909  -0.00022   0.00000   0.00096   0.00098  -1.29812
   D60        0.78497   0.00319   0.00000   0.00391   0.00389   0.78886
   D61        0.85956   0.00345   0.00000   0.00433   0.00428   0.86385
   D62        2.95987  -0.00165   0.00000   0.00004   0.00010   2.95998
   D63       -1.23925   0.00177   0.00000   0.00300   0.00302  -1.23623
   D64       -0.66061   0.00260   0.00000   0.00604   0.00615  -0.65445
   D65        2.43378  -0.00661   0.00000  -0.00529  -0.00504   2.42874
   D66       -2.78194   0.00646   0.00000   0.00830   0.00824  -2.77369
   D67        0.31245  -0.00276   0.00000  -0.00302  -0.00295   0.30950
   D68        1.44170   0.00385   0.00000   0.00651   0.00651   1.44821
   D69       -1.74710  -0.00537   0.00000  -0.00481  -0.00468  -1.75178
   D70        2.59666  -0.00602   0.00000  -0.00631  -0.00672   2.58994
   D71       -0.49782   0.00305   0.00000   0.00469   0.00407  -0.49376
   D72       -3.13037   0.03158   0.00000   0.04043   0.03964  -3.09073
   D73       -0.03945   0.02234   0.00000   0.02893   0.02843  -0.01102
   D74        0.84266   0.00385   0.00000  -0.00599  -0.00594   0.83672
   D75        1.15510  -0.03329   0.00000  -0.03063  -0.03053   1.12457
   D76       -1.04790   0.00096   0.00000   0.00139   0.00137  -1.04653
   D77        1.07820   0.00078   0.00000   0.00046   0.00041   1.07861
   D78        3.10037  -0.00161   0.00000  -0.00167  -0.00169   3.09868
   D79       -3.13602   0.00119   0.00000   0.00168   0.00168  -3.13433
   D80       -1.00991   0.00101   0.00000   0.00075   0.00072  -1.00920
   D81        1.01225  -0.00138   0.00000  -0.00137  -0.00138   1.01087
   D82        1.05801   0.00062   0.00000   0.00095   0.00101   1.05902
   D83       -3.09908   0.00044   0.00000   0.00003   0.00005  -3.09903
   D84       -1.07691  -0.00194   0.00000  -0.00210  -0.00205  -1.07896
   D85        0.74875  -0.00271   0.00000  -0.00385  -0.00388   0.74487
   D86       -2.40421  -0.00687   0.00000  -0.00902  -0.00904  -2.41325
   D87       -1.37567  -0.00070   0.00000  -0.00092  -0.00092  -1.37660
   D88        1.75456  -0.00486   0.00000  -0.00610  -0.00608   1.74848
   D89        2.88363   0.00168   0.00000   0.00098   0.00095   2.88458
   D90       -0.26933  -0.00247   0.00000  -0.00420  -0.00421  -0.27353
   D91        3.13273  -0.01076   0.00000  -0.01424  -0.01426   3.11846
   D92        0.02756  -0.00178   0.00000  -0.00235  -0.00238   0.02518
   D93        0.00111  -0.00712   0.00000  -0.00971  -0.00977  -0.00866
   D94       -3.10406   0.00185   0.00000   0.00218   0.00211  -3.10195
   D95       -3.13323   0.00831   0.00000   0.01064   0.01060  -3.12262
   D96       -0.01462   0.00327   0.00000   0.00432   0.00432  -0.01030
   D97       -0.00014   0.00521   0.00000   0.00676   0.00673   0.00659
   D98        3.11846   0.00016   0.00000   0.00044   0.00045   3.11892
   D99       -0.00169   0.00654   0.00000   0.00925   0.00927   0.00758
   D100       2.68852   0.01241   0.00000   0.01555   0.01557   2.70409
   D101       3.10667  -0.00189   0.00000  -0.00182  -0.00187   3.10480
   D102      -0.48630   0.00399   0.00000   0.00448   0.00443  -0.48187
   D103      -0.00092  -0.00134   0.00000  -0.00125  -0.00122  -0.00214
   D104       3.11724  -0.00453   0.00000  -0.00552  -0.00548   3.11176
   D105      -3.11949   0.00374   0.00000   0.00510   0.00510  -3.11439
   D106      -0.00133   0.00054   0.00000   0.00082   0.00083  -0.00049
   D107       0.00158  -0.00312   0.00000  -0.00481  -0.00481  -0.00323
   D108      -2.75971  -0.00815   0.00000  -0.00952  -0.00950  -2.76921
   D109      -3.11680   0.00016   0.00000  -0.00045  -0.00044  -3.11724
   D110       0.40509  -0.00486   0.00000  -0.00517  -0.00513   0.39996
   D111      -0.57616   0.00397   0.00000   0.00148   0.00148  -0.57468
   D112      -2.02573  -0.00386   0.00000  -0.00547  -0.00559  -2.03131
   D113       0.96041  -0.01148   0.00000  -0.01369  -0.01383   0.94658
   D114       2.81418  -0.00881   0.00000  -0.01292  -0.01275   2.80143
   D115       1.77378   0.00937   0.00000   0.01252   0.01243   1.78621
   D116       2.07520   0.00459   0.00000   0.00352   0.00357   2.07877
   D117       0.62564  -0.00324   0.00000  -0.00344  -0.00350   0.62214
   D118      -2.67141  -0.01086   0.00000  -0.01165  -0.01174  -2.68315
   D119      -0.81764  -0.00819   0.00000  -0.01088  -0.01065  -0.82830
   D120      -1.85804   0.00999   0.00000   0.01456   0.01452  -1.84352
   D121      -1.04984  -0.00061   0.00000  -0.00082  -0.00077  -1.05061
   D122       3.10579   0.00139   0.00000   0.00160   0.00162   3.10741
   D123       1.08475  -0.00051   0.00000  -0.00044  -0.00039   1.08437
   D124       1.06004  -0.00060   0.00000  -0.00080  -0.00083   1.05921
   D125      -1.06752   0.00140   0.00000   0.00162   0.00156  -1.06595
   D126      -3.08855  -0.00049   0.00000  -0.00043  -0.00045  -3.08900
   D127      -3.13085  -0.00094   0.00000  -0.00125  -0.00124  -3.13210
   D128       1.02477   0.00105   0.00000   0.00117   0.00115   1.02592
   D129      -0.99626  -0.00084   0.00000  -0.00087  -0.00086  -0.99712
   D130      -0.10280   0.00278   0.00000   0.00336   0.00336  -0.09944
   D131       3.03505   0.00492   0.00000   0.00618   0.00618   3.04123
   D132       2.02323  -0.00095   0.00000  -0.00070  -0.00069   2.02254
   D133      -1.12210   0.00120   0.00000   0.00212   0.00213  -1.11997
   D134      -2.23077   0.00112   0.00000   0.00140   0.00139  -2.22938
   D135       0.90708   0.00327   0.00000   0.00423   0.00421   0.91129
   D136       3.14082   0.00538   0.00000   0.00694   0.00693  -3.13543
   D137       0.02575  -0.00009   0.00000  -0.00011  -0.00011   0.02564
   D138       0.00247   0.00351   0.00000   0.00448   0.00449   0.00695
   D139      -3.11261  -0.00196   0.00000  -0.00256  -0.00256  -3.11516
   D140      -3.13770  -0.00449   0.00000  -0.00580  -0.00581   3.13967
   D141       0.00910  -0.00112   0.00000  -0.00139  -0.00140   0.00771
   D142       0.00104  -0.00287   0.00000  -0.00366  -0.00366  -0.00262
   D143      -3.13535   0.00050   0.00000   0.00075   0.00076  -3.13459
   D144      -0.00513  -0.00290   0.00000  -0.00371  -0.00371  -0.00884
   D145      -2.85892  -0.00741   0.00000  -0.00933  -0.00930  -2.86822
   D146       3.11216   0.00215   0.00000   0.00278   0.00277   3.11493
   D147       0.25837  -0.00236   0.00000  -0.00283  -0.00282   0.25555
   D148      -0.00432   0.00118   0.00000   0.00150   0.00150  -0.00283
   D149       3.13282   0.00370   0.00000   0.00496   0.00496   3.13778
   D150       3.13208  -0.00218   0.00000  -0.00290  -0.00291   3.12917
   D151      -0.01396   0.00034   0.00000   0.00055   0.00055  -0.01341
   D152       0.00572   0.00102   0.00000   0.00132   0.00131   0.00703
   D153       2.85953   0.00298   0.00000   0.00397   0.00399   2.86352
   D154      -3.13148  -0.00145   0.00000  -0.00209  -0.00210  -3.13358
   D155      -0.27767   0.00051   0.00000   0.00056   0.00057  -0.27710
   D156      -0.92441   0.00155   0.00000   0.00029   0.00025  -0.92416
   D157       0.63987  -0.00797   0.00000  -0.00765  -0.00768   0.63218
   D158      -2.04956   0.00799   0.00000   0.01199   0.01200  -2.03756
   D159       1.85771   0.01736   0.00000   0.01903   0.01896   1.87667
   D160      -2.69441  -0.00542   0.00000  -0.00578  -0.00568  -2.70009
   D161       2.55637  -0.00170   0.00000  -0.00409  -0.00413   2.55224
   D162      -2.16254  -0.01122   0.00000  -0.01204  -0.01207  -2.17461
   D163       1.43121   0.00474   0.00000   0.00760   0.00762   1.43883
   D164      -0.94470   0.01411   0.00000   0.01464   0.01458  -0.93012
   D165       0.78637  -0.00867   0.00000  -0.01017  -0.01006   0.77631
   D166       1.12098  -0.00223   0.00000   0.00090   0.00090   1.12188
   D167      -2.53857   0.00046   0.00000   0.00478   0.00489  -2.53368
   D168      -0.51544   0.01161   0.00000   0.01286   0.01297  -0.50247
   D169       2.10820   0.01430   0.00000   0.01675   0.01696   2.12516
   D170       2.22790  -0.00348   0.00000  -0.00586  -0.00588   2.22203
   D171      -1.43164  -0.00079   0.00000  -0.00197  -0.00189  -1.43353
   D172      -1.69749  -0.01696   0.00000  -0.01655  -0.01651  -1.71399
   D173       0.92615  -0.01427   0.00000  -0.01266  -0.01251   0.91364
   D174       2.84794   0.00925   0.00000   0.01105   0.01097   2.85890
   D175      -0.81161   0.01194   0.00000   0.01494   0.01496  -0.79665
   D176       2.59634  -0.01124   0.00000  -0.01762  -0.01793   2.57840
   D177      -2.93100  -0.02013   0.00000  -0.02583  -0.02583  -2.95683
   D178       1.25875  -0.01045   0.00000  -0.01356  -0.01356   1.24519
   D179      -1.63406  -0.00252   0.00000  -0.00728  -0.00733  -1.64139
   D180      -0.05743  -0.00771   0.00000  -0.01145  -0.01180  -0.06922
   D181       1.95515   0.00730   0.00000   0.01493   0.01474   1.96990
   D182      -0.38423   0.00458   0.00000   0.00612   0.00588  -0.37835
   D183      -2.94116   0.01971   0.00000   0.02599   0.02582  -2.91534
   D184       0.41139   0.02749   0.00000   0.03420   0.03397   0.44536
   D185      -1.35724   0.01274   0.00000   0.02079   0.02076  -1.33648
   D186       2.61499   0.02180   0.00000   0.01698   0.01690   2.63189
   D187      -0.26339  -0.00398   0.00000  -0.00789  -0.00756  -0.27095
   D188       2.75134   0.00406   0.00000   0.00458   0.00538   2.75672
   D189      -0.88645   0.01596   0.00000   0.01484   0.01503  -0.87142
   D190       0.88298  -0.00338   0.00000  -0.00439  -0.00462   0.87836
   D191      -2.28552   0.00497   0.00000   0.00493   0.00488  -2.28064
   D192      -0.03892   0.01904   0.00000   0.02173   0.02185  -0.01707
   D193      -3.12109   0.02034   0.00000   0.02252   0.02270  -3.09839
   D194       3.12852   0.01106   0.00000   0.01281   0.01274   3.14126
   D195       0.04635   0.01236   0.00000   0.01360   0.01359   0.05994
   D196      -1.05569  -0.00413   0.00000  -0.00456  -0.00454  -1.06023
   D197       0.99283  -0.00483   0.00000  -0.00541  -0.00540   0.98744
   D198       3.11117  -0.00396   0.00000  -0.00434  -0.00433   3.10684
   D199       2.06039   0.00440   0.00000   0.00485   0.00484   2.06523
   D200      -2.17427   0.00370   0.00000   0.00400   0.00399  -2.17029
   D201      -0.05594   0.00457   0.00000   0.00507   0.00506  -0.05088
   D202      -1.59498   0.01680   0.00000   0.01712   0.01730  -1.57768
   D203       0.43785   0.01323   0.00000   0.01548   0.01554   0.45339
   D204       2.51781   0.00764   0.00000   0.00872   0.00882   2.52664
   D205       1.48720   0.01542   0.00000   0.01627   0.01639   1.50358
   D206      -2.76316   0.01185   0.00000   0.01462   0.01462  -2.74854
   D207      -0.68319   0.00626   0.00000   0.00787   0.00791  -0.67529
   D208       0.42276   0.00267   0.00000   0.00063   0.00065   0.42341
   D209      -2.77529   0.00534   0.00000   0.00637   0.00630  -2.76899
   D210      -1.64503   0.00580   0.00000   0.00483   0.00491  -1.64012
   D211       1.44010   0.00846   0.00000   0.01057   0.01056   1.45066
   D212       2.57666   0.00435   0.00000   0.00336   0.00345   2.58011
   D213      -0.62140   0.00702   0.00000   0.00911   0.00910  -0.61229
   D214       1.10488  -0.00135   0.00000  -0.00112  -0.00131   1.10357
   D215      -1.97534  -0.00416   0.00000  -0.00732  -0.00741  -1.98275
   D216       0.13992  -0.00411   0.00000  -0.00740  -0.00740   0.13251
   D217      -3.05402  -0.00083   0.00000  -0.00264  -0.00264  -3.05666
   D218      -3.05925  -0.00275   0.00000  -0.00240  -0.00240  -3.06165
   D219       0.03000   0.00053   0.00000   0.00236   0.00236   0.03236
   D220      -1.99430  -0.00232   0.00000  -0.00326  -0.00326  -1.99755
   D221       0.08800  -0.00146   0.00000  -0.00221  -0.00221   0.08579
   D222       2.17597  -0.00190   0.00000  -0.00274  -0.00274   2.17323
   D223       1.09545   0.00098   0.00000   0.00151   0.00150   1.09696
   D224      -3.10543   0.00185   0.00000   0.00255   0.00255  -3.10288
   D225      -1.01747   0.00140   0.00000   0.00202   0.00202  -1.01545
         Item               Value     Threshold  Converged?
 Maximum Force            0.261292     0.000450     NO 
 RMS     Force            0.020298     0.000300     NO 
 Maximum Displacement     0.462291     0.001800     NO 
 RMS     Displacement     0.081706     0.001200     NO 
 Predicted change in Energy=-1.230935D-01
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.825490   -0.052536    4.436483
      2          6           0       -2.885021   -1.207190    4.009455
      3          6           0       -1.693713   -0.749952    3.211979
      4          6           0       -1.543498    0.270269    2.282496
      5          7           0       -0.417828   -1.313931    3.331604
      6          6           0        0.439308   -0.644244    2.491563
      7          7           0       -0.210340    0.331089    1.832570
      8          6           0       -5.209615    0.337502    0.746608
      9          6           0       -5.558612    0.288799   -0.758692
     10          6           0       -4.964475   -0.949782   -1.483083
     11          6           0       -3.463283   -0.800531   -1.649874
     12          8           0       -3.031735    0.431707   -1.923502
     13          8           0       -2.652801   -1.773343   -1.475744
     14          6           0       -2.606211    5.030647   -0.213145
     15          6           0       -1.738872    4.877291   -1.479374
     16          6           0       -0.859675    3.650563   -1.480978
     17          6           0       -1.065034    2.328497   -1.115112
     18          7           0        0.468964    3.687646   -1.934162
     19          6           0        1.007618    2.430612   -1.841228
     20          7           0        0.099573    1.571586   -1.347277
     21          6           0        4.690415    2.888869    3.037924
     22          6           0        5.354301    1.586408    2.545332
     23          6           0        4.411071    0.738100    1.738717
     24          6           0        3.061536    0.869095    1.458026
     25          7           0        4.799788   -0.439034    1.078224
     26          6           0        3.708635   -0.975599    0.437421
     27          7           0        2.635753   -0.201557    0.657192
     28         30           0        0.815563   -0.255515   -0.441820
     29          1           0       -4.685592   -0.450176    4.988204
     30          1           0       -4.202808    0.487823    3.562052
     31          1           0       -3.313385    0.667076    5.088493
     32          1           0       -3.446444   -1.919565    3.392933
     33          1           0       -2.555775   -1.755034    4.904219
     34          1           0       -2.305176    0.947462    1.928027
     35          1           0       -0.169580   -2.089591    3.932295
     36          1           0        1.478028   -0.897911    2.379368
     37          1           0       -4.153955    0.089880    0.914174
     38          1           0       -5.817607   -0.380760    1.313923
     39          1           0       -5.396660    1.338603    1.156815
     40          1           0       -6.650166    0.271401   -0.886841
     41          1           0       -5.188430    1.194666   -1.254762
     42          1           0       -5.159889   -1.863494   -0.909242
     43          1           0       -5.429064   -1.052355   -2.472108
     44          1           0       -3.278556    4.172475   -0.088136
     45          1           0       -3.222159    5.933957   -0.281589
     46          1           0       -1.985087    5.113216    0.688040
     47          1           0       -2.402258    4.842818   -2.356616
     48          1           0       -1.109396    5.771909   -1.599504
     49          1           0       -1.965785    1.870471   -0.746652
     50          1           0        0.941997    4.505797   -2.296580
     51          1           0        2.004115    2.161286   -2.144789
     52          1           0        4.346732    3.503909    2.196810
     53          1           0        3.829604    2.677881    3.683874
     54          1           0        5.406545    3.486335    3.612628
     55          1           0        5.716892    1.013321    3.411773
     56          1           0        6.243613    1.832620    1.946051
     57          1           0        2.384063    1.652419    1.756796
     58          1           0        5.731351   -0.835553    1.079872
     59          1           0        3.706310   -1.879610   -0.154499
     60          8           0       -0.965875   -0.836145   -1.005443
     61          1           0       -1.569583   -0.059665   -1.008815
     62          1           0       -1.634800   -1.510236   -1.578721
     63          6           0        2.528244   -1.044071   -2.750919
     64          8           0        1.871592   -0.010538   -2.393783
     65          7           0        2.000877   -2.302879   -2.778885
     66          6           0        0.630614   -2.612854   -2.383430
     67          6           0        0.505307   -2.960998   -0.884341
     68          8           0        1.360397   -2.540217   -0.047201
     69          7           0       -0.598221   -3.679333   -0.543351
     70          1           0        0.014470   -1.715110   -2.526505
     71          1           0        0.242545   -3.417148   -3.019117
     72          1           0        2.609269   -3.069757   -3.040249
     73          1           0       -1.194951   -4.037775   -1.280580
     74          6           0       -0.947735   -4.017714    0.842739
     75          1           0       -0.894483   -5.101093    1.008191
     76          1           0       -0.234325   -3.524980    1.505555
     77          1           0       -1.960642   -3.667565    1.072569
     78          6           0        3.972805   -0.915800   -3.198717
     79          1           0        4.023950   -0.266479   -4.080055
     80          1           0        4.553307   -0.437022   -2.402584
     81          1           0        4.432554   -1.878101   -3.445245
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.1042848      0.0738620      0.0718846
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      5035.1673071376 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   34051 LenP2D=  125099.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.32D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.995932    0.089764    0.003781   -0.006857 Ang=  10.34 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.82474019     A.U. after   12 cycles
            NFock= 12  Conv=0.52D-08     -V/T= 1.9782
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   34051 LenP2D=  125099.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000171268    0.000691058   -0.000413068
      3        6           0.002054068   -0.008318238    0.001060930
      4        6          -0.002996611   -0.000476537   -0.001576450
      5        7           0.001209964    0.001945790    0.002880316
      6        6           0.005483325    0.000198494    0.005589139
      7        7          -0.006645760    0.007508291   -0.000208584
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.003123388    0.002393955   -0.002051824
     10        6          -0.000240183   -0.000750199    0.010586536
     11        6           0.040097581   -0.056216743   -0.046386899
     12        8           0.001644870    0.040657061    0.022811372
     13        8           0.085120614    0.128685236   -0.007754592
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000715483    0.003265959   -0.003017704
     16        6          -0.000977632   -0.000134137    0.002944448
     17        6          -0.001757498   -0.004910280    0.001897207
     18        7          -0.001392560   -0.001499891   -0.003322805
     19        6           0.002868950   -0.002285854   -0.001299107
     20        7          -0.000883134   -0.029189513    0.003188549
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000162158   -0.000346967    0.000848049
     23        6          -0.000225311   -0.000168113   -0.000650541
     24        6          -0.000743167   -0.003298418   -0.002454287
     25        7          -0.001134789    0.002742043   -0.000242620
     26        6           0.000335073   -0.000408367    0.000222502
     27        7          -0.002990934   -0.007060165   -0.013537965
     28       30           0.017250818   -0.021829230   -0.000756847
     29        1           0.000188453    0.000511764   -0.000654424
     30        1           0.000818465    0.000017224    0.000084117
     31        1          -0.001185125    0.001058225   -0.000658049
     32        1           0.003334507    0.002554644    0.001581456
     33        1          -0.000699995   -0.000155458   -0.000430193
     34        1          -0.002813072   -0.000931897   -0.000745449
     35        1           0.000585768   -0.001145986    0.000729545
     36        1           0.003102218    0.001231475    0.001948750
     37        1          -0.000207211   -0.000608979   -0.000615893
     38        1          -0.000610475   -0.000235430    0.000493348
     39        1           0.000572431    0.000305887    0.000623721
     40        1           0.000637425   -0.001000417    0.001232429
     41        1          -0.000731258    0.002682841    0.000508182
     42        1           0.001865963    0.003137608   -0.001139622
     43        1          -0.001751448    0.000829835   -0.000481208
     44        1          -0.000244240   -0.000409660   -0.000273743
     45        1           0.000902624    0.000022932   -0.000593062
     46        1          -0.000172069    0.000713729   -0.000149965
     47        1          -0.000217771   -0.000897960   -0.000143101
     48        1           0.000257902    0.000274844    0.000151275
     49        1           0.000328928   -0.002632020   -0.001603767
     50        1           0.000578543    0.000332927   -0.000231403
     51        1           0.001362068   -0.002015125   -0.000957307
     52        1          -0.000027496    0.000512332    0.000125083
     53        1          -0.000223008   -0.000258124    0.000139563
     54        1           0.000076580    0.000289904    0.000640220
     55        1           0.000043004   -0.000138089    0.000254402
     56        1           0.000277477    0.000241409   -0.000502181
     57        1           0.000380432    0.001399824    0.000643718
     58        1          -0.000024172   -0.000256119    0.000897646
     59        1           0.000420437   -0.002770002    0.003874155
     60        8          -0.084443356   -0.082843079    0.022810049
     61        1          -0.008134837   -0.009202916   -0.003748002
     62        1          -0.019179431   -0.009861863    0.013795270
     63        6          -0.010925021    0.001019036   -0.009396781
     64        8          -0.013343609    0.019535057    0.012753867
     65        7          -0.000401597   -0.001846941    0.001394706
     66        6          -0.001347761    0.004208287   -0.003266629
     67        6           0.012683860    0.028089213   -0.000203867
     68        8          -0.000913449   -0.006086160   -0.001912801
     69        7          -0.020123234    0.002686342    0.001672890
     70        1          -0.004551023    0.003633427   -0.002957266
     71        1           0.000151192   -0.000508739    0.000989717
     72        1          -0.000185879    0.000035661   -0.000668543
     73        1           0.004868088   -0.003269759   -0.001442598
     74        6           0.001154994   -0.000869532   -0.000028399
     75        1          -0.000040851    0.000425423   -0.000856743
     76        1           0.000466906    0.000072828   -0.000562643
     77        1          -0.000663076   -0.000582328   -0.001556947
     78        6          -0.000121715    0.000914062   -0.001019502
     79        1           0.000219947   -0.000101944    0.000207420
     80        1           0.000249361   -0.000375359   -0.000761456
     81        1          -0.000458068    0.000080605   -0.000596418
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.128685236 RMS     0.014808050

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.127155068 RMS     0.010457645
 Search for a local minimum.
 Step number   2 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    1    2
 DE= -1.03D-01 DEPred=-1.23D-01 R= 8.35D-01
 TightC=F SS=  1.41D+00  RLast= 3.27D-01 DXNew= 5.0454D-01 9.8233D-01
 Trust test= 8.35D-01 RLast= 3.27D-01 DXMaxT set to 5.05D-01
 ITU=  1  0
 Use linear search instead of GDIIS.
 Linear search step of   0.600 exceeds DXMaxT=   0.505 but not scaled.
 Quartic linear search produced a step of  2.00000.
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry= 1 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry= 2 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry= 3 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry= 4 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry= 5 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry= 6 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry= 7 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry= 8 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry= 9 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15415191 RMS(Int)=  0.00665518
 Iteration  2 RMS(Cart)=  0.01724429 RMS(Int)=  0.00074054
 Iteration  3 RMS(Cart)=  0.00024177 RMS(Int)=  0.00072726
 New curvilinear step failed, DQL= 2.13D-05 SP=-3.08D-02.
 ITry=10 IFail=1 DXMaxC= 9.37D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.03256478 RMS(Int)=  0.02397793 XScale=  5.00980565
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.03255241 RMS(Int)=  0.01803600 XScale=  2.50750041
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.03250789 RMS(Int)=  0.01214911 XScale=  1.67212939
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.03241037 RMS(Int)=  0.00639129 XScale=  1.25369555
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.03219693 RMS(Int)=  0.00165222 XScale=  1.00145136
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00294059 RMS(Int)=  0.00072738 XScale=  0.99870970
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00058812 RMS(Int)=  0.00139684 XScale=  1.00109892
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00059635 RMS(Int)=  0.00115573 XScale=  1.00070568
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00060772 RMS(Int)=  0.00094182 XScale=  1.00029004
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.00062570 RMS(Int)=  0.00078106 XScale=  0.99989054
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.00066570 RMS(Int)=  0.00071670 XScale=  0.99962880
 RedQX1 iteration     2 Try  6 RMS(Cart)=  0.00009214 RMS(Int)=  0.00071627 XScale=  0.99989179
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00000270 RMS(Int)=  0.00071627 XScale=  0.99989446
 RedQX1 iteration     3 Try  2 RMS(Cart)=  0.00000273 RMS(Int)=  0.00071628 XScale=  0.99989708
 RedQX1 iteration     3 Try  3 RMS(Cart)=  0.00000277 RMS(Int)=  0.00071629 XScale=  0.99989960
 RedQX1 iteration     3 Try  4 RMS(Cart)=  0.00000283 RMS(Int)=  0.00071630 XScale=  0.99990200
 RedQX1 iteration     3 Try  5 RMS(Cart)=  0.00000296 RMS(Int)=  0.00071631 XScale=  0.99990412
 RedQX1 iteration     3 Try  6 RMS(Cart)=  0.00000030 RMS(Int)=  0.00071631 XScale=  0.99990384
 RedQX1 iteration     4 Try  1 RMS(Cart)=  0.00000001 RMS(Int)=  0.00071631 XScale=  0.99990384
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00004308 RMS(Int)=  0.00005256 XScale=  5.10885111
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00004327 RMS(Int)=  0.00004051 XScale=  2.55583812
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00004352 RMS(Int)=  0.00002896 XScale=  1.70485938
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00004393 RMS(Int)=  0.00001886 XScale=  1.27936088
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00004481 RMS(Int)=  0.00001381 XScale=  1.02392512
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000275 RMS(Int)=  0.00001378 XScale=  1.02394198
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48452   0.00157   0.00000   0.00000   0.00003   8.48455
    Y1       -0.92762  -0.00045   0.00000   0.00000  -0.00001  -0.92763
    Z1        7.47501  -0.00323   0.00000   0.00000   0.00001   7.47502
    X8       10.19805   0.00565   0.00000   0.00000  -0.00005  10.19800
    Y8        1.20623   0.00304   0.00000   0.00000   0.00001   1.20624
    Z8        0.50967   0.00134   0.00000   0.00000   0.00000   0.50967
   X14        7.21039  -0.00517   0.00000   0.00000   0.00002   7.21041
   Y14       -7.64140  -0.00111   0.00000   0.00000  -0.00002  -7.64142
   Z14       -3.84248   0.00094   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13879  -0.00177   0.00000   0.00000   0.00000  -6.13879
   Y21       -9.38867  -0.00248   0.00000   0.00000   0.00002  -9.38865
   Z21        4.09467  -0.00131   0.00000   0.00000  -0.00001   4.09466
    R1        2.92759  -0.00267  -0.00772   0.00000  -0.00827   2.91932
    R2        2.07206  -0.00002   0.00003   0.00000   0.00003   2.07210
    R3        2.06922   0.00019   0.00041   0.00000   0.00041   2.06963
    R4        2.07458  -0.00094  -0.00186   0.00000  -0.00186   2.07272
    R5        2.84355   0.00398   0.00788   0.00000   0.00769   2.85124
    R6        2.07248   0.00265   0.00521   0.00000   0.00521   2.07769
    R7        2.07796  -0.00023  -0.00051   0.00000  -0.00051   2.07745
    R8        2.62349   0.00227   0.00619   0.00000   0.00695   2.63044
    R9        2.64580  -0.00393  -0.01008   0.00000  -0.01047   2.63533
   R10        2.66139   0.00106   0.00224   0.00000   0.00246   2.66385
   R11        2.03915  -0.00150  -0.00344   0.00000  -0.00344   2.03570
   R12        2.59714   0.00120   0.00219   0.00000   0.00156   2.59870
   R13        1.91237  -0.00011  -0.00012   0.00000  -0.00012   1.91225
   R14        2.54067   0.00526   0.00820   0.00000   0.00816   2.54884
   R15        2.03167  -0.00303  -0.00813   0.00000  -0.00813   2.02355
   R16        4.84354   0.00779   0.02851   0.00000   0.02836   4.87190
   R17        2.92151   0.00104   0.00409   0.00000   0.00368   2.92519
   R18        2.07338   0.00008   0.00039   0.00000   0.00039   2.07377
   R19        2.07646  -0.00009  -0.00018   0.00000  -0.00018   2.07628
   R20        2.07479  -0.00001  -0.00040   0.00000  -0.00040   2.07439
   R21        2.93475  -0.00233  -0.00498   0.00000  -0.00429   2.93046
   R22        2.07716   0.00009   0.00018   0.00000   0.00018   2.07734
   R23        2.07329  -0.00209  -0.00362   0.00000  -0.00362   2.06968
   R24        2.86820  -0.00106  -0.00536   0.00000  -0.00448   2.86372
   R25        2.07212   0.00128   0.00313   0.00000   0.00313   2.07525
   R26        2.07400   0.00034   0.00071   0.00000   0.00071   2.07470
   R27        2.52087  -0.02653  -0.03038   0.00000  -0.02922   2.49165
   R28        2.41528   0.03072   0.02483   0.00000   0.02516   2.44044
   R29        3.38888   0.02577   0.08704   0.00000   0.08931   3.47819
   R30        1.99646   0.12716   0.30676   0.00000   0.30562   2.30209
   R31        2.91479   0.00217   0.00338   0.00000   0.00306   2.91786
   R32        2.07365  -0.00054  -0.00111   0.00000  -0.00111   2.07255
   R33        2.07013   0.00085   0.00195   0.00000   0.00195   2.07208
   R34        2.07418  -0.00038  -0.00069   0.00000  -0.00069   2.07349
   R35        2.85208   0.00280   0.00667   0.00000   0.00617   2.85825
   R36        2.07941  -0.00037  -0.00079   0.00000  -0.00079   2.07861
   R37        2.07957  -0.00039  -0.00070   0.00000  -0.00070   2.07887
   R38        2.62113  -0.00328  -0.00495   0.00000  -0.00534   2.61579
   R39        2.65373  -0.00089  -0.00533   0.00000  -0.00549   2.64824
   R40        2.66118   0.00381   0.00946   0.00000   0.00914   2.67032
   R41        2.03258  -0.00174  -0.00625   0.00000  -0.00625   2.02633
   R42        2.59032   0.00252   0.00473   0.00000   0.00468   2.59499
   R43        1.91271  -0.00030  -0.00051   0.00000  -0.00051   1.91220
   R44        2.53988   0.00603   0.01298   0.00000   0.01310   2.55298
   R45        2.03327  -0.00138  -0.00518   0.00000  -0.00518   2.02809
   R46        4.08408   0.02678   0.08944   0.00000   0.08905   4.17313
   R47        2.91520  -0.00127  -0.00256   0.00000  -0.00232   2.91288
   R48        2.07342  -0.00023  -0.00034   0.00000  -0.00034   2.07309
   R49        2.07247  -0.00015  -0.00012   0.00000  -0.00012   2.07236
   R50        2.07017  -0.00005  -0.00030   0.00000  -0.00030   2.06987
   R51        2.84084  -0.00205  -0.00767   0.00000  -0.00719   2.83366
   R52        2.07923   0.00020   0.00040   0.00000   0.00040   2.07963
   R53        2.07924  -0.00001   0.00003   0.00000   0.00003   2.07927
   R54        2.61657  -0.00156  -0.00679   0.00000  -0.00651   2.61006
   R55        2.65437  -0.00004   0.00054   0.00000   0.00061   2.65498
   R56        2.65163  -0.00067  -0.00417   0.00000  -0.00375   2.64788
   R57        2.03690  -0.00052  -0.00094   0.00000  -0.00094   2.03596
   R58        2.59736  -0.00070   0.00073   0.00000   0.00076   2.59811
   R59        1.91324   0.00016   0.00036   0.00000   0.00036   1.91360
   R60        2.53429   0.00064   0.00175   0.00000   0.00170   2.53599
   R61        2.04196  -0.00363  -0.00672   0.00000  -0.00672   2.03525
   R62        4.01931   0.00004  -0.00046   0.00000  -0.00010   4.01921
   R63        3.69746   0.01611   0.06278   0.00000   0.06356   3.76102
   R64        4.21937   0.01385   0.04835   0.00000   0.04906   4.26843
   R65        4.50074   0.01914   0.08361   0.00000   0.08420   4.58494
   R66        1.85866   0.00935   0.01382   0.00000   0.01421   1.87287
   R67        2.09624   0.10507   0.29965   0.00000   0.29725   2.39349
   R68        2.41037   0.00852   0.02107   0.00000   0.02097   2.43133
   R69        2.57966   0.00233   0.00911   0.00000   0.00793   2.58760
   R70        2.86824   0.00052  -0.00065   0.00000  -0.00065   2.86759
   R71        2.75802   0.00359   0.00012   0.00000  -0.00109   2.75694
   R72        1.91465   0.00014   0.00041   0.00000   0.00041   1.91506
   R73        2.91788   0.00407   0.01791   0.00000   0.01751   2.93539
   R74        2.07530  -0.00401  -0.01461   0.00000  -0.01461   2.06069
   R75        2.07146  -0.00079  -0.00130   0.00000  -0.00130   2.07016
   R76        2.39708   0.01800   0.02286   0.00000   0.02377   2.42084
   R77        2.57034  -0.01196  -0.01604   0.00000  -0.01604   2.55430
   R78        1.91607   0.00046  -0.00072   0.00000  -0.00072   1.91535
   R79        2.77597  -0.00256  -0.00695   0.00000  -0.00695   2.76902
   R80        2.07347  -0.00003   0.00005   0.00000   0.00005   2.07352
   R81        2.06237  -0.00052  -0.00157   0.00000  -0.00157   2.06080
   R82        2.07130  -0.00065  -0.00084   0.00000  -0.00084   2.07046
   R83        2.07094  -0.00017  -0.00033   0.00000  -0.00033   2.07061
   R84        2.07012  -0.00023  -0.00029   0.00000  -0.00029   2.06983
   R85        2.06851   0.00029   0.00048   0.00000   0.00048   2.06899
    A1        1.92260  -0.00003   0.00007   0.00000   0.00007   1.92267
    A2        1.93571   0.00111   0.00253   0.00000   0.00253   1.93824
    A3        1.94881  -0.00193  -0.00465   0.00000  -0.00465   1.94417
    A4        1.88650  -0.00066  -0.00161   0.00000  -0.00161   1.88489
    A5        1.88051   0.00118   0.00290   0.00000   0.00290   1.88340
    A6        1.88762   0.00036   0.00086   0.00000   0.00086   1.88848
    A7        1.98255   0.00180   0.00431   0.00000   0.00438   1.98693
    A8        1.90531  -0.00160  -0.00381   0.00000  -0.00372   1.90159
    A9        1.90583  -0.00077  -0.00283   0.00000  -0.00300   1.90283
   A10        1.88045   0.00255   0.00727   0.00000   0.00725   1.88770
   A11        1.92366  -0.00195  -0.00447   0.00000  -0.00447   1.91919
   A12        1.86199  -0.00010  -0.00064   0.00000  -0.00063   1.86135
   A13        2.29667   0.00921   0.02150   0.00000   0.02244   2.31911
   A14        2.15770  -0.00690  -0.01517   0.00000  -0.01631   2.14139
   A15        1.82825  -0.00233  -0.00635   0.00000  -0.00615   1.82210
   A16        1.92629   0.00656   0.01607   0.00000   0.01550   1.94179
   A17        2.22024  -0.00061  -0.00136   0.00000  -0.00108   2.21916
   A18        2.13665  -0.00597  -0.01473   0.00000  -0.01446   2.12219
   A19        1.89635  -0.00004  -0.00109   0.00000  -0.00115   1.89520
   A20        2.19323  -0.00047  -0.00092   0.00000  -0.00090   2.19233
   A21        2.19359   0.00052   0.00203   0.00000   0.00206   2.19565
   A22        1.93021   0.00466   0.01356   0.00000   0.01383   1.94405
   A23        2.15480  -0.00473  -0.01383   0.00000  -0.01396   2.14084
   A24        2.19797   0.00009   0.00030   0.00000   0.00016   2.19813
   A25        1.84366  -0.00885  -0.02219   0.00000  -0.02203   1.82162
   A26        2.28167   0.00264   0.00612   0.00000   0.00708   2.28875
   A27        1.64638   0.01158   0.02977   0.00000   0.02871   1.67509
   A28        1.93777  -0.00081  -0.00186   0.00000  -0.00186   1.93592
   A29        1.93607   0.00099   0.00245   0.00000   0.00245   1.93852
   A30        1.93269   0.00055   0.00169   0.00000   0.00169   1.93438
   A31        1.88178  -0.00005  -0.00046   0.00000  -0.00046   1.88132
   A32        1.88876  -0.00002  -0.00044   0.00000  -0.00044   1.88833
   A33        1.88479  -0.00069  -0.00148   0.00000  -0.00149   1.88330
   A34        1.97461  -0.00353  -0.00880   0.00000  -0.00696   1.96765
   A35        1.91579   0.00280   0.00925   0.00000   0.00856   1.92434
   A36        1.91566  -0.00079  -0.00401   0.00000  -0.00442   1.91124
   A37        1.88905   0.00198   0.00524   0.00000   0.00470   1.89375
   A38        1.89496   0.00001  -0.00063   0.00000  -0.00128   1.89368
   A39        1.87069  -0.00031  -0.00061   0.00000  -0.00031   1.87038
   A40        1.92967  -0.01168  -0.03527   0.00000  -0.03286   1.89682
   A41        1.93082   0.00426   0.01133   0.00000   0.01122   1.94204
   A42        1.91020   0.00347   0.01093   0.00000   0.00980   1.92000
   A43        1.89201   0.00206   0.00579   0.00000   0.00525   1.89726
   A44        1.90588   0.00479   0.01420   0.00000   0.01341   1.91929
   A45        1.89471  -0.00275  -0.00648   0.00000  -0.00634   1.88837
   A46        2.01899   0.01221   0.02432   0.00000   0.02390   2.04289
   A47        2.13812  -0.00807  -0.00221   0.00000  -0.00131   2.13681
   A48        2.12455  -0.00440  -0.02314   0.00000  -0.02385   2.10070
   A49        1.47670   0.06582   0.18128   0.00000   0.18548   1.66217
   A50        1.99127  -0.04388  -0.10311   0.00000  -0.10780   1.88347
   A51        1.93939  -0.00022  -0.00061   0.00000  -0.00061   1.93877
   A52        1.92502  -0.00001   0.00064   0.00000   0.00064   1.92566
   A53        1.94259  -0.00021  -0.00068   0.00000  -0.00068   1.94191
   A54        1.88334  -0.00009  -0.00051   0.00000  -0.00051   1.88284
   A55        1.88812   0.00003   0.00012   0.00000   0.00012   1.88823
   A56        1.88331   0.00052   0.00109   0.00000   0.00109   1.88439
   A57        1.99243   0.00627   0.01578   0.00000   0.01495   2.00738
   A58        1.89502  -0.00392  -0.01086   0.00000  -0.01067   1.88434
   A59        1.90757   0.00031   0.00174   0.00000   0.00201   1.90957
   A60        1.90169  -0.00147  -0.00358   0.00000  -0.00327   1.89842
   A61        1.90438  -0.00210  -0.00475   0.00000  -0.00458   1.89980
   A62        1.85802   0.00056   0.00072   0.00000   0.00060   1.85862
   A63        2.32980  -0.00251  -0.00240   0.00000  -0.00298   2.32682
   A64        2.12944   0.00314   0.00641   0.00000   0.00689   2.13633
   A65        1.82386  -0.00066  -0.00410   0.00000  -0.00406   1.81980
   A66        1.92451   0.00649   0.01915   0.00000   0.01909   1.94360
   A67        2.23984  -0.00604  -0.01812   0.00000  -0.01826   2.22157
   A68        2.11783  -0.00075  -0.00190   0.00000  -0.00207   2.11576
   A69        1.90255  -0.00111  -0.00279   0.00000  -0.00313   1.89942
   A70        2.18838   0.00013  -0.00011   0.00000   0.00001   2.18839
   A71        2.19185   0.00087   0.00259   0.00000   0.00271   2.19456
   A72        1.92361   0.00369   0.01360   0.00000   0.01353   1.93714
   A73        2.18263  -0.00419  -0.01434   0.00000  -0.01432   2.16831
   A74        2.17659   0.00044   0.00053   0.00000   0.00054   2.17712
   A75        1.85020  -0.00845  -0.02593   0.00000  -0.02583   1.82437
   A76        2.29069   0.00255   0.00932   0.00000   0.00912   2.29982
   A77        2.06063   0.00745   0.02034   0.00000   0.02040   2.08103
   A78        1.94259  -0.00038  -0.00087   0.00000  -0.00087   1.94172
   A79        1.94274   0.00017   0.00036   0.00000   0.00036   1.94310
   A80        1.92480  -0.00019  -0.00077   0.00000  -0.00077   1.92403
   A81        1.88967   0.00012   0.00018   0.00000   0.00018   1.88985
   A82        1.87676   0.00055   0.00161   0.00000   0.00161   1.87837
   A83        1.88497  -0.00025  -0.00044   0.00000  -0.00044   1.88453
   A84        1.95816  -0.00402  -0.01676   0.00000  -0.01590   1.94225
   A85        1.90723  -0.00052  -0.00044   0.00000  -0.00069   1.90654
   A86        1.91009   0.00274   0.00979   0.00000   0.00956   1.91965
   A87        1.91280   0.00152   0.00529   0.00000   0.00495   1.91776
   A88        1.91894   0.00082   0.00402   0.00000   0.00381   1.92276
   A89        1.85365  -0.00034  -0.00100   0.00000  -0.00092   1.85273
   A90        2.30086  -0.00360  -0.01465   0.00000  -0.01404   2.28682
   A91        2.15504   0.00290   0.01230   0.00000   0.01186   2.16689
   A92        1.82729   0.00070   0.00236   0.00000   0.00218   1.82946
   A93        1.91693   0.00097   0.00319   0.00000   0.00320   1.92013
   A94        2.24613   0.00062   0.00082   0.00000   0.00075   2.24687
   A95        2.11997  -0.00152  -0.00373   0.00000  -0.00380   2.11617
   A96        1.90359  -0.00158  -0.00494   0.00000  -0.00478   1.89881
   A97        2.19208   0.00028   0.00126   0.00000   0.00115   2.19323
   A98        2.18747   0.00127   0.00361   0.00000   0.00350   2.19098
   A99        1.91069   0.00169   0.00277   0.00000   0.00283   1.91352
   A100       2.19407  -0.00206  -0.00424   0.00000  -0.00429   2.18978
   A101       2.17842   0.00037   0.00149   0.00000   0.00144   2.17986
   A102       1.86624  -0.00180  -0.00343   0.00000  -0.00355   1.86270
   A103       2.18210  -0.00306  -0.01122   0.00000  -0.01108   2.17102
   A104       2.19607   0.00559   0.01690   0.00000   0.01683   2.21290
   A105       1.61649  -0.00885  -0.02923   0.00000  -0.02846   1.58804
   A106       1.44871   0.00708   0.02619   0.00000   0.02585   1.47456
   A107       1.52989  -0.01075  -0.03701   0.00000  -0.03665   1.49324
   A108       2.79328   0.01107   0.03621   0.00000   0.03646   2.82974
   A109       1.73563   0.00736   0.01879   0.00000   0.01796   1.75359
   A110       2.06980  -0.00947  -0.02408   0.00000  -0.02381   2.04599
   A111       1.39850   0.01368   0.02809   0.00000   0.02644   1.42495
   A112       1.26366   0.01655   0.05479   0.00000   0.05459   1.31825
   A113       2.84448   0.00276   0.02067   0.00000   0.02006   2.86454
   A114       2.78058  -0.00616  -0.01066   0.00000  -0.00991   2.77067
   A115       1.61500  -0.00668  -0.02327   0.00000  -0.02241   1.59259
   A116       1.31083   0.00595   0.00051   0.00000   0.00113   1.31196
   A117       1.78375   0.00888   0.02658   0.00000   0.02507   1.80882
   A118       1.54213  -0.00897  -0.00183   0.00000  -0.00136   1.54077
   A119       1.71318  -0.01726  -0.05350   0.00000  -0.05243   1.66075
   A120       1.90240   0.00944   0.02372   0.00000   0.02526   1.92765
   A121       2.64296   0.02790   0.09364   0.00000   0.09372   2.73668
   A122       1.67884  -0.03345  -0.10366   0.00000  -0.10617   1.57267
   A123       2.37245   0.00010  -0.01011   0.00000  -0.00868   2.36378
   A124       2.32132   0.04646   0.17231   0.00000   0.17408   2.49540
   A125       2.15802   0.00705   0.05045   0.00000   0.04989   2.20791
   A126       2.09914  -0.00404  -0.02504   0.00000  -0.02488   2.07426
   A127       2.02591  -0.00296  -0.02506   0.00000  -0.02489   2.00102
   A128       1.98162   0.01354   0.03433   0.00000   0.03371   2.01533
   A129       2.15676   0.00905   0.02792   0.00000   0.02625   2.18302
   A130       2.06153  -0.00542  -0.01611   0.00000  -0.01532   2.04621
   A131       2.06338  -0.00362  -0.01188   0.00000  -0.01102   2.05236
   A132       1.96832   0.00354   0.01239   0.00000   0.01215   1.98047
   A133       1.89424  -0.00032  -0.01096   0.00000  -0.01090   1.88334
   A134       1.90825  -0.00375  -0.00953   0.00000  -0.00970   1.89855
   A135       1.83928  -0.00265  -0.00312   0.00000  -0.00350   1.83578
   A136       1.94857   0.00348   0.01172   0.00000   0.01230   1.96087
   A137       1.90247  -0.00041  -0.00115   0.00000  -0.00128   1.90119
   A138       2.10741  -0.01208  -0.03153   0.00000  -0.03009   2.07732
   A139       2.01342   0.00480   0.01741   0.00000   0.01662   2.03004
   A140       2.16115   0.00727   0.01466   0.00000   0.01391   2.17506
   A141       1.62548   0.03356   0.12526   0.00000   0.12607   1.75155
   A142       2.07362  -0.00023  -0.00017   0.00000  -0.00018   2.07343
   A143       2.15465   0.00174   0.00458   0.00000   0.00456   2.15921
   A144       2.05398  -0.00138  -0.00401   0.00000  -0.00403   2.04995
   A145       1.93711  -0.00068  -0.00135   0.00000  -0.00135   1.93576
   A146       1.88970   0.00022   0.00082   0.00000   0.00082   1.89052
   A147       1.92212  -0.00224  -0.00537   0.00000  -0.00537   1.91674
   A148       1.89915   0.00090   0.00194   0.00000   0.00194   1.90109
   A149       1.90567   0.00135   0.00274   0.00000   0.00274   1.90841
   A150       1.90976   0.00051   0.00131   0.00000   0.00131   1.91107
   A151       1.90896  -0.00071  -0.00168   0.00000  -0.00168   1.90729
   A152       1.90378   0.00017   0.00046   0.00000   0.00045   1.90423
   A153       1.97349   0.00095   0.00154   0.00000   0.00154   1.97502
   A154       1.87631  -0.00037  -0.00084   0.00000  -0.00084   1.87547
   A155       1.89669  -0.00025  -0.00021   0.00000  -0.00021   1.89648
   A156       1.90216   0.00015   0.00062   0.00000   0.00062   1.90279
    D1        3.11444   0.00166   0.00465   0.00000   0.00471   3.11915
    D2        1.01561  -0.00164  -0.00475   0.00000  -0.00478   1.01083
    D3       -1.01396  -0.00019  -0.00025   0.00000  -0.00028  -1.01424
    D4        1.02663   0.00178   0.00499   0.00000   0.00506   1.03169
    D5       -1.07220  -0.00151  -0.00440   0.00000  -0.00443  -1.07663
    D6       -3.10177  -0.00007   0.00010   0.00000   0.00007  -3.10170
    D7       -1.08000   0.00187   0.00532   0.00000   0.00538  -1.07461
    D8        3.10436  -0.00142  -0.00408   0.00000  -0.00410   3.10026
    D9        1.07479   0.00003   0.00042   0.00000   0.00039   1.07518
   D10       -0.60654  -0.00136  -0.00450   0.00000  -0.00481  -0.61135
   D11        2.49329  -0.00188  -0.00573   0.00000  -0.00601   2.48728
   D12        1.50629  -0.00045  -0.00149   0.00000  -0.00157   1.50472
   D13       -1.67707  -0.00097  -0.00273   0.00000  -0.00277  -1.67984
   D14       -2.75156  -0.00017  -0.00052   0.00000  -0.00064  -2.75219
   D15        0.34826  -0.00069  -0.00176   0.00000  -0.00184   0.34643
   D16        3.11144  -0.00049  -0.00069   0.00000  -0.00080   3.11064
   D17       -0.02513   0.00173   0.00538   0.00000   0.00519  -0.01994
   D18        0.00581   0.00010   0.00068   0.00000   0.00057   0.00638
   D19       -3.13076   0.00232   0.00675   0.00000   0.00656  -3.12420
   D20       -3.11489   0.00077   0.00124   0.00000   0.00126  -3.11363
   D21        0.03306  -0.00083  -0.00257   0.00000  -0.00264   0.03042
   D22       -0.00560   0.00065   0.00094   0.00000   0.00105  -0.00454
   D23       -3.14084  -0.00095  -0.00287   0.00000  -0.00284   3.13950
   D24       -0.00384  -0.00078  -0.00197   0.00000  -0.00188  -0.00572
   D25        1.91858   0.00867   0.02252   0.00000   0.02172   1.94031
   D26        3.13301  -0.00286  -0.00768   0.00000  -0.00744   3.12557
   D27       -1.22775   0.00658   0.01680   0.00000   0.01616  -1.21159
   D28        0.00348  -0.00117  -0.00220   0.00000  -0.00230   0.00118
   D29       -3.11768  -0.00166  -0.00416   0.00000  -0.00429  -3.12198
   D30        3.13872   0.00042   0.00160   0.00000   0.00159   3.14031
   D31        0.01756  -0.00007  -0.00036   0.00000  -0.00040   0.01716
   D32        0.00017   0.00118   0.00253   0.00000   0.00252   0.00269
   D33       -2.34699  -0.00377  -0.00980   0.00000  -0.01008  -2.35707
   D34        3.12072   0.00162   0.00434   0.00000   0.00439   3.12511
   D35        0.77356  -0.00333  -0.00799   0.00000  -0.00821   0.76535
   D36        1.34015   0.00300   0.00666   0.00000   0.00676   1.34691
   D37       -2.87497  -0.00563  -0.01444   0.00000  -0.01473  -2.88969
   D38       -0.05613  -0.01058  -0.02051   0.00000  -0.02009  -0.07622
   D39        2.04641   0.00226   0.00646   0.00000   0.00642   2.05283
   D40       -1.59103   0.00067  -0.01194   0.00000  -0.01099  -1.60201
   D41       -2.93677   0.00324   0.00760   0.00000   0.00779  -2.92897
   D42       -0.86870  -0.00539  -0.01350   0.00000  -0.01369  -0.88239
   D43        1.95014  -0.01034  -0.01957   0.00000  -0.01906   1.93109
   D44       -2.23051   0.00250   0.00741   0.00000   0.00746  -2.22305
   D45        0.41524   0.00091  -0.01099   0.00000  -0.00995   0.40529
   D46        0.76729  -0.00117  -0.00425   0.00000  -0.00415   0.76314
   D47        2.87925   0.00097   0.00314   0.00000   0.00325   2.88251
   D48       -1.35216   0.00179   0.00551   0.00000   0.00531  -1.34685
   D49       -1.32478  -0.00123  -0.00406   0.00000  -0.00396  -1.32874
   D50        0.78718   0.00092   0.00333   0.00000   0.00344   0.79063
   D51        2.83896   0.00173   0.00570   0.00000   0.00550   2.84445
   D52        2.86590  -0.00137  -0.00491   0.00000  -0.00481   2.86109
   D53       -1.30531   0.00077   0.00248   0.00000   0.00259  -1.30272
   D54        0.74646   0.00159   0.00485   0.00000   0.00464   0.75110
   D55       -1.26722   0.00564   0.02003   0.00000   0.01934  -1.24788
   D56        0.82891   0.00337   0.01167   0.00000   0.01171   0.84062
   D57        2.91589   0.00482   0.01749   0.00000   0.01723   2.93312
   D58        2.88894   0.00300   0.01032   0.00000   0.00972   2.89866
   D59       -1.29812   0.00073   0.00195   0.00000   0.00209  -1.29603
   D60        0.78886   0.00218   0.00778   0.00000   0.00762   0.79648
   D61        0.86385   0.00230   0.00857   0.00000   0.00826   0.87210
   D62        2.95998   0.00003   0.00021   0.00000   0.00062   2.96060
   D63       -1.23623   0.00148   0.00603   0.00000   0.00615  -1.23008
   D64       -0.65445   0.00313   0.01231   0.00000   0.01309  -0.64136
   D65        2.42874  -0.00182  -0.01008   0.00000  -0.00848   2.42026
   D66       -2.77369   0.00378   0.01648   0.00000   0.01613  -2.75756
   D67        0.30950  -0.00118  -0.00590   0.00000  -0.00544   0.30407
   D68        1.44821   0.00319   0.01302   0.00000   0.01305   1.46126
   D69       -1.75178  -0.00176  -0.00937   0.00000  -0.00852  -1.76030
   D70        2.58994  -0.00316  -0.01345   0.00000  -0.01598   2.57395
   D71       -0.49376   0.00189   0.00813   0.00000   0.00434  -0.48942
   D72       -3.09073   0.01879   0.07928   0.00000   0.07435  -3.01638
   D73       -0.01102   0.01407   0.05687   0.00000   0.05369   0.04267
   D74        0.83672   0.00121  -0.01188   0.00000  -0.01164   0.82508
   D75        1.12457  -0.01788  -0.06106   0.00000  -0.06054   1.06403
   D76       -1.04653   0.00082   0.00275   0.00000   0.00282  -1.04370
   D77        1.07861   0.00025   0.00082   0.00000   0.00072   1.07933
   D78        3.09868  -0.00108  -0.00337   0.00000  -0.00335   3.09534
   D79       -3.13433   0.00108   0.00336   0.00000   0.00344  -3.13090
   D80       -1.00920   0.00051   0.00143   0.00000   0.00133  -1.00786
   D81        1.01087  -0.00081  -0.00276   0.00000  -0.00273   1.00814
   D82        1.05902   0.00056   0.00202   0.00000   0.00209   1.06111
   D83       -3.09903   0.00000   0.00009   0.00000  -0.00001  -3.09904
   D84       -1.07896  -0.00133  -0.00410   0.00000  -0.00408  -1.08304
   D85        0.74487  -0.00235  -0.00776   0.00000  -0.00794   0.73693
   D86       -2.41325  -0.00576  -0.01807   0.00000  -0.01814  -2.43138
   D87       -1.37660  -0.00046  -0.00185   0.00000  -0.00187  -1.37846
   D88        1.74848  -0.00387  -0.01216   0.00000  -0.01206   1.73642
   D89        2.88458   0.00084   0.00190   0.00000   0.00171   2.88629
   D90       -0.27353  -0.00257  -0.00841   0.00000  -0.00848  -0.28202
   D91        3.11846  -0.00828  -0.02853   0.00000  -0.02870   3.08976
   D92        0.02518  -0.00105  -0.00476   0.00000  -0.00494   0.02024
   D93       -0.00866  -0.00532  -0.01954   0.00000  -0.01990  -0.02856
   D94       -3.10195   0.00191   0.00423   0.00000   0.00387  -3.09808
   D95       -3.12262   0.00643   0.02121   0.00000   0.02100  -3.10162
   D96       -0.01030   0.00259   0.00865   0.00000   0.00865  -0.00164
   D97        0.00659   0.00384   0.01347   0.00000   0.01332   0.01991
   D98        3.11892   0.00001   0.00091   0.00000   0.00098   3.11989
   D99        0.00758   0.00481   0.01853   0.00000   0.01867   0.02624
   D100       2.70409   0.01002   0.03113   0.00000   0.03124   2.73532
   D101       3.10480  -0.00202  -0.00374   0.00000  -0.00401   3.10079
   D102      -0.48187   0.00319   0.00886   0.00000   0.00855  -0.47332
   D103      -0.00214  -0.00100  -0.00244   0.00000  -0.00225  -0.00439
   D104       3.11176  -0.00339  -0.01097   0.00000  -0.01073   3.10103
   D105      -3.11439   0.00285   0.01020   0.00000   0.01021  -3.10418
   D106      -0.00049   0.00047   0.00167   0.00000   0.00173   0.00123
   D107      -0.00323  -0.00225  -0.00962   0.00000  -0.00963  -0.01285
   D108      -2.76921  -0.00587  -0.01899   0.00000  -0.01885  -2.78806
   D109      -3.11724   0.00022  -0.00088   0.00000  -0.00081  -3.11805
   D110       0.39996  -0.00340  -0.01026   0.00000  -0.01003   0.38993
   D111      -0.57468   0.00035   0.00295   0.00000   0.00291  -0.57177
   D112      -2.03131  -0.00307  -0.01118   0.00000  -0.01189  -2.04320
   D113       0.94658  -0.00828  -0.02766   0.00000  -0.02851   0.91808
   D114       2.80143  -0.00840  -0.02549   0.00000  -0.02457   2.77686
   D115       1.78621   0.00343   0.02486   0.00000   0.02431   1.81052
   D116       2.07877   0.00275   0.00714   0.00000   0.00744   2.08621
   D117       0.62214  -0.00066  -0.00699   0.00000  -0.00735   0.61479
   D118      -2.68315  -0.00587  -0.02348   0.00000  -0.02397  -2.70712
   D119      -0.82830  -0.00599  -0.02131   0.00000  -0.02004  -0.84834
   D120      -1.84352   0.00583   0.02904   0.00000   0.02885  -1.81467
   D121      -1.05061  -0.00036  -0.00154   0.00000  -0.00150  -1.05211
   D122       3.10741   0.00074   0.00325   0.00000   0.00316   3.11057
   D123       1.08437  -0.00010  -0.00078   0.00000  -0.00073   1.08364
   D124       1.05921  -0.00035  -0.00166   0.00000  -0.00162   1.05759
   D125      -1.06595   0.00075   0.00312   0.00000   0.00304  -1.06292
   D126      -3.08900  -0.00009  -0.00090   0.00000  -0.00085  -3.08985
   D127      -3.13210  -0.00068  -0.00249   0.00000  -0.00245  -3.13455
   D128       1.02592   0.00042   0.00230   0.00000   0.00221   1.02813
   D129      -0.99712  -0.00042  -0.00173   0.00000  -0.00168  -0.99880
   D130      -0.09944   0.00184   0.00671   0.00000   0.00671  -0.09273
   D131       3.04123   0.00358   0.01235   0.00000   0.01234   3.05357
   D132       2.02254  -0.00044  -0.00138   0.00000  -0.00131   2.02122
   D133      -1.11997   0.00129   0.00426   0.00000   0.00431  -1.11566
   D134      -2.22938   0.00051   0.00278   0.00000   0.00270  -2.22668
   D135       0.91129   0.00224   0.00842   0.00000   0.00832   0.91962
   D136      -3.13543   0.00383   0.01386   0.00000   0.01382  -3.12161
   D137       0.02564  -0.00016  -0.00022   0.00000  -0.00025   0.02538
   D138       0.00695   0.00233   0.00897   0.00000   0.00900   0.01596
   D139      -3.11516  -0.00166  -0.00511   0.00000  -0.00507  -3.12024
   D140       3.13967  -0.00324  -0.01163   0.00000  -0.01168   3.12799
   D141       0.00771  -0.00070  -0.00279   0.00000  -0.00285   0.00485
   D142      -0.00262  -0.00190  -0.00732   0.00000  -0.00730  -0.00993
   D143      -3.13459   0.00063   0.00151   0.00000   0.00152  -3.13307
   D144      -0.00884  -0.00192  -0.00742   0.00000  -0.00742  -0.01626
   D145      -2.86822  -0.00555  -0.01860   0.00000  -0.01847  -2.88669
   D146       3.11493   0.00176   0.00554   0.00000   0.00548   3.12041
   D147       0.25555  -0.00187  -0.00564   0.00000  -0.00558   0.24997
   D148      -0.00283   0.00078   0.00299   0.00000   0.00298   0.00015
   D149       3.13778   0.00304   0.00991   0.00000   0.00991  -3.13549
   D150       3.12917  -0.00175  -0.00582   0.00000  -0.00585   3.12333
   D151      -0.01341   0.00050   0.00110   0.00000   0.00108  -0.01232
   D152       0.00703   0.00067   0.00262   0.00000   0.00260   0.00964
   D153       2.86352   0.00253   0.00797   0.00000   0.00808   2.87160
   D154      -3.13358  -0.00156  -0.00420   0.00000  -0.00428  -3.13786
   D155      -0.27710   0.00030   0.00114   0.00000   0.00120  -0.27589
   D156      -0.92416   0.00061   0.00050   0.00000   0.00021  -0.92395
   D157       0.63218  -0.00443  -0.01537   0.00000  -0.01553   0.61665
   D158      -2.03756   0.00457   0.02400   0.00000   0.02414  -2.01342
   D159       1.87667   0.01212   0.03791   0.00000   0.03754   1.91421
   D160      -2.70009  -0.00394  -0.01136   0.00000  -0.01081  -2.71090
   D161       2.55224  -0.00216  -0.00826   0.00000  -0.00853   2.54370
   D162      -2.17461  -0.00719  -0.02413   0.00000  -0.02427  -2.19888
   D163       1.43883   0.00180   0.01524   0.00000   0.01540   1.45423
   D164      -0.93012   0.00935   0.02915   0.00000   0.02879  -0.90133
   D165       0.77631  -0.00671  -0.02012   0.00000  -0.01955   0.75675
   D166       1.12188  -0.00023   0.00180   0.00000   0.00196   1.12384
   D167      -2.53368   0.00149   0.00978   0.00000   0.01047  -2.52320
   D168      -0.50247   0.00755   0.02594   0.00000   0.02662  -0.47585
   D169       2.12516   0.00927   0.03392   0.00000   0.03513   2.16029
   D170       2.22203  -0.00149  -0.01175   0.00000  -0.01182   2.21021
   D171      -1.43353   0.00023  -0.00377   0.00000  -0.00331  -1.43684
   D172      -1.71399  -0.01163  -0.03301   0.00000  -0.03266  -1.74665
   D173       0.91364  -0.00991  -0.02503   0.00000  -0.02415   0.88949
   D174       2.85890   0.00794   0.02193   0.00000   0.02154   2.88044
   D175      -0.79665   0.00966   0.02991   0.00000   0.03005  -0.76660
   D176       2.57840  -0.00644  -0.03587   0.00000  -0.03773   2.54067
   D177      -2.95683  -0.01173  -0.05166   0.00000  -0.05163  -3.00846
   D178       1.24519  -0.00189  -0.02713   0.00000  -0.02713   1.21805
   D179      -1.64139   0.00488  -0.01467   0.00000  -0.01507  -1.65646
   D180      -0.06922  -0.00684  -0.02359   0.00000  -0.02558  -0.09480
   D181       1.96990   0.00313   0.02949   0.00000   0.02841   1.99831
   D182      -0.37835   0.00162   0.01177   0.00000   0.01042  -0.36793
   D183      -2.91534   0.00969   0.05164   0.00000   0.05066  -2.86468
   D184       0.44536   0.01581   0.06795   0.00000   0.06663   0.51200
   D185      -1.33648   0.00812   0.04152   0.00000   0.04135  -1.29513
   D186       2.63189   0.01228   0.03380   0.00000   0.03353   2.66543
   D187      -0.27095  -0.00182  -0.01511   0.00000  -0.01330  -0.28424
   D188       2.75672   0.00295   0.01077   0.00000   0.01570   2.77242
   D189      -0.87142   0.00820   0.03006   0.00000   0.03133  -0.84009
   D190       0.87836  -0.00078  -0.00925   0.00000  -0.01076   0.86760
   D191      -2.28064   0.00301   0.00977   0.00000   0.00944  -2.27119
   D192      -0.01707   0.01114   0.04370   0.00000   0.04443   0.02737
   D193      -3.09839   0.01118   0.04539   0.00000   0.04650  -3.05189
   D194       3.14126   0.00751   0.02548   0.00000   0.02500  -3.11692
   D195       0.05994   0.00754   0.02717   0.00000   0.02707   0.08701
   D196      -1.06023  -0.00168  -0.00909   0.00000  -0.00901  -1.06924
   D197       0.98744  -0.00243  -0.01079   0.00000  -0.01071   0.97672
   D198       3.10684  -0.00149  -0.00865   0.00000  -0.00857   3.09827
   D199       2.06523   0.00194   0.00968   0.00000   0.00959   2.07483
   D200      -2.17029   0.00119   0.00797   0.00000   0.00789  -2.16240
   D201      -0.05088   0.00213   0.01011   0.00000   0.01003  -0.04085
   D202      -1.57768   0.00863   0.03460   0.00000   0.03571  -1.54197
   D203       0.45339   0.00723   0.03108   0.00000   0.03146   0.48485
   D204       2.52664   0.00439   0.01765   0.00000   0.01826   2.54490
   D205       1.50358   0.00854   0.03277   0.00000   0.03350   1.53709
   D206      -2.74854   0.00713   0.02925   0.00000   0.02925  -2.71929
   D207      -0.67529   0.00430   0.01582   0.00000   0.01605  -0.65924
   D208       0.42341   0.00338   0.00129   0.00000   0.00138   0.42479
   D209      -2.76899   0.00343   0.01259   0.00000   0.01211  -2.75689
   D210      -1.64012   0.00352   0.00981   0.00000   0.01028  -1.62985
   D211       1.45066   0.00357   0.02111   0.00000   0.02101   1.47166
   D212       2.58011   0.00376   0.00691   0.00000   0.00744   2.58756
   D213      -0.61229   0.00381   0.01821   0.00000   0.01817  -0.59412
   D214       1.10357  -0.00045  -0.00263   0.00000  -0.00386   1.09971
   D215      -1.98275  -0.00036  -0.01482   0.00000  -0.01547  -1.99822
   D216       0.13251  -0.00253  -0.01481   0.00000  -0.01480   0.11771
   D217      -3.05666   0.00083  -0.00529   0.00000  -0.00526  -3.06192
   D218      -3.06165  -0.00311  -0.00479   0.00000  -0.00482  -3.06647
   D219       0.03236   0.00025   0.00473   0.00000   0.00472   0.03708
   D220      -1.99755  -0.00221  -0.00651   0.00000  -0.00650  -2.00406
   D221       0.08579  -0.00138  -0.00442   0.00000  -0.00442   0.08138
   D222       2.17323  -0.00195  -0.00548   0.00000  -0.00548   2.16775
   D223       1.09696   0.00114   0.00301   0.00000   0.00301   1.09996
   D224      -3.10288   0.00197   0.00510   0.00000   0.00510  -3.09779
   D225      -1.01545   0.00140   0.00404   0.00000   0.00403  -1.01141
         Item               Value     Threshold  Converged?
 Maximum Force            0.127087     0.000450     NO 
 RMS     Force            0.010581     0.000300     NO 
 Maximum Displacement     0.937395     0.001800     NO 
 RMS     Displacement     0.161269     0.001200     NO 
 Predicted change in Energy=-1.241561D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.929063    0.351489    4.374318
      2          6           0       -2.944947   -0.806827    4.098022
      3          6           0       -1.753409   -0.408606    3.262452
      4          6           0       -1.591723    0.488145    2.210184
      5          7           0       -0.473858   -0.916614    3.484857
      6          6           0        0.390611   -0.335597    2.586963
      7          7           0       -0.250206    0.534421    1.779716
      8          6           0       -5.298931    0.321073    0.658726
      9          6           0       -5.671609    0.188003   -0.837780
     10          6           0       -5.197389   -1.152466   -1.456676
     11          6           0       -3.688738   -1.116345   -1.595039
     12          8           0       -3.144447    0.038077   -1.926044
     13          8           0       -2.943339   -2.134009   -1.318407
     14          6           0       -2.817033    4.960331   -0.770241
     15          6           0       -1.894727    4.709985   -1.983011
     16          6           0       -0.950411    3.537513   -1.837107
     17          6           0       -1.098259    2.255788   -1.335731
     18          7           0        0.380049    3.585876   -2.274623
     19          6           0        0.963918    2.362734   -2.053868
     20          7           0        0.088954    1.504284   -1.485852
     21          6           0        4.513292    3.366605    2.711691
     22          6           0        5.274877    2.067393    2.382988
     23          6           0        4.398455    1.091854    1.655851
     24          6           0        3.054265    1.139889    1.341977
     25          7           0        4.844833   -0.135444    1.137792
     26          6           0        3.781925   -0.782134    0.552757
     27          7           0        2.676581   -0.030198    0.669961
     28         30           0        0.857607   -0.262887   -0.407438
     29          1           0       -4.780268   -0.008434    4.964430
     30          1           0       -4.317841    0.768906    3.439394
     31          1           0       -3.446953    1.160592    4.936436
     32          1           0       -3.478854   -1.611226    3.571986
     33          1           0       -2.607759   -1.226867    5.056362
     34          1           0       -2.352360    1.099109    1.753438
     35          1           0       -0.225364   -1.600235    4.188342
     36          1           0        1.432669   -0.578946    2.547697
     37          1           0       -4.268598   -0.011920    0.837053
     38          1           0       -5.962452   -0.289230    1.286786
     39          1           0       -5.384514    1.363753    0.991118
     40          1           0       -6.760435    0.266196   -0.967266
     41          1           0       -5.219126    1.010546   -1.401875
     42          1           0       -5.472406   -2.004339   -0.820541
     43          1           0       -5.660855   -1.296300   -2.441493
     44          1           0       -3.451018    4.088078   -0.570023
     45          1           0       -3.473960    5.817140   -0.961626
     46          1           0       -2.234941    5.175581    0.134626
     47          1           0       -2.531132    4.544308   -2.864735
     48          1           0       -1.306556    5.616675   -2.188342
     49          1           0       -1.990018    1.812731   -0.937902
     50          1           0        0.823029    4.381138   -2.716501
     51          1           0        1.971002    2.115677   -2.330535
     52          1           0        4.158626    3.861379    1.799067
     53          1           0        3.647226    3.169489    3.354889
     54          1           0        5.170583    4.068904    3.235612
     55          1           0        5.642286    1.616256    3.317103
     56          1           0        6.167541    2.296513    1.781891
     57          1           0        2.342311    1.922822    1.544192
     58          1           0        5.789925   -0.493742    1.199841
     59          1           0        3.822868   -1.747433    0.076875
     60          8           0       -0.941533   -0.971525   -0.878622
     61          1           0       -1.591519   -0.229586   -0.974991
     62          1           0       -1.780853   -1.775401   -1.382157
     63          6           0        2.687157   -1.318441   -2.597269
     64          8           0        1.967052   -0.275677   -2.374911
     65          7           0        2.289988   -2.623359   -2.477184
     66          6           0        0.950014   -3.060662   -2.100823
     67          6           0        0.751900   -3.196980   -0.566210
     68          8           0        1.500465   -2.516731    0.219929
     69          7           0       -0.251310   -4.007283   -0.161229
     70          1           0        0.245559   -2.288733   -2.412268
     71          1           0        0.719035   -3.988913   -2.634750
     72          1           0        2.996611   -3.337428   -2.610526
     73          1           0       -0.746075   -4.556001   -0.855075
     74          6           0       -0.643125   -4.178389    1.240310
     75          1           0       -0.452889   -5.205047    1.577595
     76          1           0       -0.052690   -3.491474    1.847589
     77          1           0       -1.707826   -3.948776    1.359114
     78          6           0        4.128181   -1.133223   -3.035260
     79          1           0        4.150051   -0.592851   -3.988216
     80          1           0        4.651162   -0.516999   -2.296032
     81          1           0        4.666381   -2.078947   -3.156392
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.1009594      0.0717599      0.0681872
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4946.8243122970 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33808 LenP2D=  123082.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.38D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.998348    0.054693    0.005472   -0.016743 Ang=   6.59 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.89311428     A.U. after   12 cycles
            NFock= 12  Conv=0.89D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33808 LenP2D=  123082.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000448406    0.002240405   -0.003304662
      3        6           0.004224670   -0.008967605   -0.001577249
      4        6           0.002419400   -0.001275305   -0.003048295
      5        7          -0.003311049    0.000873948    0.000498196
      6        6           0.002423729   -0.000321243    0.002467957
      7        7          -0.005430047    0.012166218    0.010618984
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.005887524    0.002079458   -0.000128847
     10        6          -0.000446080    0.001085911    0.007979446
     11        6           0.012930362   -0.056155940   -0.032597750
     12        8           0.008512988    0.027070477    0.013804789
     13        8          -0.021008240    0.034308822    0.001002259
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.001138763    0.003375655   -0.002982215
     16        6           0.000503440   -0.001083369    0.004336239
     17        6           0.001344174    0.005521950    0.002725435
     18        7          -0.003231500    0.001715500   -0.002439776
     19        6           0.001364332    0.003530455    0.000577622
     20        7          -0.002373559   -0.033534386    0.000313475
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000733278   -0.000592701    0.001388289
     23        6          -0.002460384    0.000281614   -0.000485676
     24        6           0.003703088   -0.002040844   -0.001510791
     25        7           0.000874040    0.002236740    0.000186745
     26        6           0.001332368   -0.001070119    0.000860634
     27        7          -0.002139771   -0.004677284   -0.012219635
     28       30           0.021791091   -0.010130962   -0.006012406
     29        1           0.000178534    0.000315067   -0.000499417
     30        1           0.000539323    0.000023638    0.000101975
     31        1          -0.000652859    0.000229815   -0.000400012
     32        1           0.001814449    0.000876529    0.001565106
     33        1          -0.001132272   -0.000017291   -0.000240596
     34        1          -0.000777199   -0.000345255   -0.001228106
     35        1           0.000083504   -0.001126185    0.000412332
     36        1          -0.002358626    0.000399734    0.000514512
     37        1          -0.000303903   -0.000807242   -0.000533725
     38        1          -0.000509929    0.000100999    0.000288045
     39        1           0.000766099   -0.000085971    0.000363367
     40        1           0.000703803   -0.001020085    0.002132348
     41        1          -0.000682480    0.002157980   -0.000497885
     42        1           0.001570764    0.001118567   -0.001761753
     43        1          -0.001696430    0.000142719   -0.000435562
     44        1          -0.000044547   -0.000084046   -0.000115955
     45        1           0.000001467    0.000440778   -0.000588062
     46        1          -0.000036428    0.000504571    0.000123153
     47        1          -0.000846394   -0.000654858   -0.000789543
     48        1           0.000401128   -0.000089505    0.000130943
     49        1           0.002619908    0.001533229    0.000538398
     50        1          -0.000203489    0.000313954   -0.000228810
     51        1          -0.002360668   -0.000450670   -0.000810281
     52        1          -0.000055472    0.000235932    0.000113993
     53        1          -0.000366524   -0.000140180    0.000200657
     54        1           0.000280864   -0.000018872    0.000514165
     55        1           0.000068051    0.000155808    0.000063533
     56        1           0.000634496   -0.000359061   -0.000555905
     57        1           0.000495925    0.000898598    0.000700302
     58        1           0.000259639   -0.000083855    0.000706351
     59        1          -0.000005773   -0.000435006    0.002964757
     60        8          -0.010538359    0.015513396   -0.002190762
     61        1          -0.007969123   -0.003784396   -0.004212680
     62        1           0.006083300   -0.011257363    0.027029524
     63        6          -0.007318478   -0.008803147   -0.007058805
     64        8          -0.012195544    0.028720564    0.015127525
     65        7           0.004034505   -0.006436394    0.002265315
     66        6           0.004002217    0.000610289    0.002269417
     67        6          -0.005090752    0.005611987   -0.001922871
     68        8           0.008581264    0.004992511   -0.007423225
     69        7          -0.012592429    0.000103889   -0.000874617
     70        1           0.004312110   -0.000334844   -0.003480461
     71        1           0.001452423    0.000156340    0.001443083
     72        1           0.000067468   -0.000139765   -0.001531815
     73        1           0.003680033   -0.001260398   -0.002313140
     74        6           0.002853558   -0.000521167    0.002644221
     75        1          -0.000021605    0.000238406   -0.000708783
     76        1           0.000480555   -0.000712704   -0.000193579
     77        1          -0.000463674   -0.000601465   -0.000484187
     78        6          -0.001587045    0.000137116   -0.001783454
     79        1           0.000064147   -0.000127578    0.000081627
     80        1           0.000306826   -0.000404836   -0.000805924
     81        1          -0.000609985   -0.000169344   -0.000804032
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.056155940 RMS     0.007305748

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.033737569 RMS     0.003618357
 Search for a local minimum.
 Step number   3 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    2    3
 ITU=  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00230   0.00230   0.00230   0.00230   0.00365
     Eigenvalues ---    0.00368   0.00521   0.00528   0.00590   0.00598
     Eigenvalues ---    0.00678   0.00755   0.00769   0.00847   0.00918
     Eigenvalues ---    0.01008   0.01194   0.01267   0.01329   0.01349
     Eigenvalues ---    0.01365   0.01370   0.01385   0.01393   0.01467
     Eigenvalues ---    0.01514   0.01695   0.01712   0.01759   0.01830
     Eigenvalues ---    0.01841   0.01853   0.01905   0.01923   0.01930
     Eigenvalues ---    0.02020   0.02098   0.02119   0.02145   0.02163
     Eigenvalues ---    0.02165   0.02265   0.02270   0.02298   0.02337
     Eigenvalues ---    0.02719   0.02811   0.02955   0.03386   0.03721
     Eigenvalues ---    0.03847   0.03975   0.04060   0.04128   0.04392
     Eigenvalues ---    0.04434   0.04759   0.05111   0.05287   0.05363
     Eigenvalues ---    0.05368   0.05386   0.05395   0.05405   0.05440
     Eigenvalues ---    0.05446   0.05488   0.05508   0.05516   0.05525
     Eigenvalues ---    0.05883   0.06427   0.06810   0.06905   0.07032
     Eigenvalues ---    0.07269   0.07353   0.07460   0.07618   0.08264
     Eigenvalues ---    0.08449   0.08782   0.08906   0.09187   0.09573
     Eigenvalues ---    0.09727   0.09928   0.10160   0.10699   0.10812
     Eigenvalues ---    0.12235   0.12332   0.12466   0.12734   0.12983
     Eigenvalues ---    0.13074   0.13469   0.14325   0.15206   0.15945
     Eigenvalues ---    0.15975   0.15979   0.15987   0.15993   0.15996
     Eigenvalues ---    0.15997   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16003   0.16630   0.17022
     Eigenvalues ---    0.18200   0.18396   0.19834   0.20160   0.20375
     Eigenvalues ---    0.20986   0.21240   0.21862   0.22002   0.22150
     Eigenvalues ---    0.22338   0.22672   0.22794   0.22897   0.23350
     Eigenvalues ---    0.23375   0.23410   0.24058   0.24422   0.24806
     Eigenvalues ---    0.24982   0.24998   0.25900   0.26952   0.27445
     Eigenvalues ---    0.27609   0.27957   0.28165   0.28315   0.30071
     Eigenvalues ---    0.30553   0.31324   0.31508   0.31688   0.33403
     Eigenvalues ---    0.33611   0.33618   0.33651   0.33663   0.33711
     Eigenvalues ---    0.33777   0.33808   0.33870   0.33893   0.33900
     Eigenvalues ---    0.33928   0.33946   0.33979   0.33983   0.33991
     Eigenvalues ---    0.34007   0.34045   0.34071   0.34074   0.34093
     Eigenvalues ---    0.34130   0.34163   0.34177   0.34180   0.34204
     Eigenvalues ---    0.34247   0.34256   0.34300   0.34608   0.35227
     Eigenvalues ---    0.35576   0.35715   0.35968   0.36017   0.36221
     Eigenvalues ---    0.36321   0.36328   0.36892   0.38368   0.39034
     Eigenvalues ---    0.39209   0.41572   0.42262   0.42423   0.44970
     Eigenvalues ---    0.45082   0.45289   0.45461   0.45466   0.45582
     Eigenvalues ---    0.45590   0.45637   0.46703   0.48611   0.48971
     Eigenvalues ---    0.49114   0.49510   0.49647   0.52056   0.54346
     Eigenvalues ---    0.54630   0.54827   0.54843   0.72188   0.73484
     Eigenvalues ---    0.759791000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 RFO step:  Lambda=-3.62628406D-02 EMin= 2.29998164D-03
 Quartic linear search produced a step of  0.21449.
 Iteration  1 RMS(Cart)=  0.15082440 RMS(Int)=  0.00287412
 Iteration  2 RMS(Cart)=  0.01269252 RMS(Int)=  0.00057703
 Iteration  3 RMS(Cart)=  0.00005866 RMS(Int)=  0.00057690
 New curvilinear step failed, DQL= 1.95D-05 SP=-1.32D-03.
 ITry= 1 IFail=1 DXMaxC= 8.31D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.13590652 RMS(Int)=  0.00232897
 Iteration  2 RMS(Cart)=  0.01033626 RMS(Int)=  0.00048860
 Iteration  3 RMS(Cart)=  0.00003872 RMS(Int)=  0.00048853
 New curvilinear step failed, DQL= 1.45D-05 SP=-1.04D-03.
 ITry= 2 IFail=1 DXMaxC= 7.40D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.12098900 RMS(Int)=  0.00184462
 Iteration  2 RMS(Cart)=  0.00824667 RMS(Int)=  0.00041015
 Iteration  3 RMS(Cart)=  0.00002494 RMS(Int)=  0.00041011
 New curvilinear step failed, DQL= 8.77D-06 SP=-9.35D-04.
 ITry= 3 IFail=1 DXMaxC= 6.49D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.10612887 RMS(Int)=  0.00142188
 Iteration  2 RMS(Cart)=  0.00641635 RMS(Int)=  0.00034186
 Iteration  3 RMS(Cart)=  0.00001535 RMS(Int)=  0.00034184
 New curvilinear step failed, DQL= 5.31D-06 SP=-7.74D-04.
 ITry= 4 IFail=1 DXMaxC= 5.58D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.09141454 RMS(Int)=  0.00106155
 Iteration  2 RMS(Cart)=  0.00483684 RMS(Int)=  0.00028395
 Iteration  3 RMS(Cart)=  0.00000941 RMS(Int)=  0.00028394
 New curvilinear step failed, DQL= 1.35D-06 SP=-1.61D-03.
 ITry= 5 IFail=1 DXMaxC= 4.68D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07698989 RMS(Int)=  0.00076421
 Iteration  2 RMS(Cart)=  0.00350037 RMS(Int)=  0.00023652
 Iteration  3 RMS(Cart)=  0.00000537 RMS(Int)=  0.00023652
 Iteration  4 RMS(Cart)=  0.00000023 RMS(Int)=  0.00023652
 ITry= 6 IFail=0 DXMaxC= 3.78D-01 DCOld= 1.00D+10 DXMaxT= 5.05D-01 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48455  -0.00038   0.00001   0.00000   0.00000   8.48455
    Y1       -0.92763   0.00079   0.00000   0.00000   0.00000  -0.92763
    Z1        7.47502  -0.00281   0.00000   0.00000   0.00000   7.47502
    X8       10.19800   0.00268  -0.00001   0.00000   0.00000  10.19800
    Y8        1.20624   0.00095   0.00000   0.00000   0.00000   1.20624
    Z8        0.50967   0.00262   0.00000   0.00000   0.00000   0.50967
   X14        7.21041  -0.00229   0.00000   0.00000   0.00000   7.21041
   Y14       -7.64142  -0.00077   0.00000   0.00000   0.00000  -7.64142
   Z14       -3.84248  -0.00075   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13879   0.00050   0.00000   0.00000   0.00000  -6.13879
   Y21       -9.38865   0.00093   0.00000   0.00000   0.00000  -9.38865
   Z21        4.09466  -0.00079   0.00000   0.00000   0.00000   4.09466
    R1        2.91932   0.00041  -0.00177   0.00241  -0.00057   2.91875
    R2        2.07210  -0.00002   0.00001  -0.00006  -0.00011   2.07198
    R3        2.06963   0.00008   0.00009   0.00018   0.00031   2.06994
    R4        2.07272  -0.00021  -0.00040  -0.00033  -0.00059   2.07213
    R5        2.85124   0.00146   0.00165   0.00502   0.00425   2.85550
    R6        2.07769   0.00076   0.00112   0.00142   0.00183   2.07952
    R7        2.07745   0.00009  -0.00011   0.00036   0.00007   2.07752
    R8        2.63044  -0.00225   0.00149  -0.00499  -0.00082   2.62962
    R9        2.63533   0.00305  -0.00224   0.01188   0.00361   2.63894
   R10        2.66385   0.00145   0.00053   0.00160   0.00150   2.66535
   R11        2.03570   0.00023  -0.00074   0.00118  -0.00015   2.03555
   R12        2.59870  -0.00136   0.00033  -0.00193  -0.00073   2.59797
   R13        1.91225  -0.00017  -0.00003  -0.00037  -0.00021   1.91204
   R14        2.54884   0.00159   0.00175  -0.00007   0.00173   2.55057
   R15        2.02355   0.00239  -0.00174   0.00805   0.00228   2.02583
   R16        4.87190   0.00353   0.00608   0.04267   0.02753   4.89943
   R17        2.92519  -0.00145   0.00079  -0.00623  -0.00261   2.92258
   R18        2.07377   0.00011   0.00008   0.00033   0.00035   2.07412
   R19        2.07628  -0.00003  -0.00004  -0.00006   0.00004   2.07632
   R20        2.07439   0.00035  -0.00009   0.00107   0.00040   2.07479
   R21        2.93046   0.00027  -0.00092   0.00455   0.00139   2.93185
   R22        2.07734   0.00008   0.00004   0.00021   0.00015   2.07749
   R23        2.06968  -0.00099  -0.00078  -0.00232  -0.00194   2.06774
   R24        2.86372   0.00359  -0.00096   0.01714   0.00764   2.87135
   R25        2.07525  -0.00030   0.00067  -0.00138  -0.00002   2.07524
   R26        2.07470  -0.00004   0.00015  -0.00025   0.00003   2.07473
   R27        2.49165  -0.02851  -0.00627  -0.04878  -0.03037   2.46128
   R28        2.44044   0.03374   0.00540   0.04551   0.02820   2.46864
   R29        3.47819   0.00573   0.01916   0.04541   0.04240   3.52059
   R30        2.30209  -0.00010   0.06555  -0.02851   0.05088   2.35296
   R31        2.91786   0.00138   0.00066   0.00202   0.00173   2.91959
   R32        2.07255  -0.00013  -0.00024  -0.00021  -0.00045   2.07209
   R33        2.07208  -0.00002   0.00042  -0.00036   0.00026   2.07234
   R34        2.07349  -0.00013  -0.00015  -0.00028  -0.00023   2.07327
   R35        2.85825  -0.00088   0.00132  -0.01008  -0.00373   2.85451
   R36        2.07861  -0.00005  -0.00017  -0.00002  -0.00018   2.07843
   R37        2.07887  -0.00011  -0.00015  -0.00021  -0.00026   2.07861
   R38        2.61579  -0.00219  -0.00115  -0.00476  -0.00367   2.61212
   R39        2.64824   0.00361  -0.00118   0.01046   0.00407   2.65230
   R40        2.67032  -0.00194   0.00196  -0.01073  -0.00344   2.66688
   R41        2.02633   0.00299  -0.00134   0.00934   0.00333   2.02966
   R42        2.59499  -0.00116   0.00100  -0.00382  -0.00083   2.59416
   R43        1.91220  -0.00004  -0.00011  -0.00001  -0.00012   1.91209
   R44        2.55298  -0.00224   0.00281  -0.00735  -0.00083   2.55214
   R45        2.02809   0.00242  -0.00111   0.00754   0.00266   2.03075
   R46        4.17313   0.00865   0.01910   0.04376   0.04094   4.21407
   R47        2.91288   0.00016  -0.00050   0.00391   0.00138   2.91427
   R48        2.07309  -0.00017  -0.00007  -0.00043  -0.00024   2.07284
   R49        2.07236  -0.00021  -0.00002  -0.00060  -0.00022   2.07214
   R50        2.06987   0.00009  -0.00006   0.00028  -0.00004   2.06983
   R51        2.83366   0.00256  -0.00154   0.01118   0.00416   2.83782
   R52        2.07963   0.00006   0.00009   0.00011   0.00014   2.07977
   R53        2.07927  -0.00012   0.00001  -0.00037  -0.00018   2.07909
   R54        2.61006   0.00336  -0.00140   0.00852   0.00306   2.61312
   R55        2.65498  -0.00005   0.00013   0.00133   0.00074   2.65572
   R56        2.64788   0.00249  -0.00080   0.00688   0.00280   2.65068
   R57        2.03596  -0.00013  -0.00020  -0.00020  -0.00030   2.03566
   R58        2.59811  -0.00148   0.00016  -0.00263  -0.00124   2.59687
   R59        1.91360  -0.00012   0.00008  -0.00034  -0.00009   1.91351
   R60        2.53599  -0.00127   0.00036  -0.00354  -0.00141   2.53458
   R61        2.03525  -0.00106  -0.00144  -0.00189  -0.00239   2.03286
   R62        4.01921  -0.00163  -0.00002  -0.01364  -0.00671   4.01250
   R63        3.76102  -0.00313   0.01363  -0.01828   0.00454   3.76556
   R64        4.26843   0.00433   0.01052   0.04310   0.03242   4.30085
   R65        4.58494   0.00082   0.01806   0.00817   0.02226   4.60720
   R66        1.87287   0.00108   0.00305  -0.00105   0.00260   1.87548
   R67        2.39349  -0.00643   0.06376  -0.04234   0.04199   2.43548
   R68        2.43133  -0.01172   0.00450  -0.01899  -0.00490   2.42644
   R69        2.58760  -0.00456   0.00170  -0.01302  -0.00509   2.58251
   R70        2.86759   0.00268  -0.00014   0.00899   0.00435   2.87194
   R71        2.75694   0.00563  -0.00023   0.00997   0.00433   2.76126
   R72        1.91506  -0.00025   0.00009  -0.00064  -0.00023   1.91483
   R73        2.93539  -0.00292   0.00376  -0.01401  -0.00351   2.93188
   R74        2.06069   0.00504  -0.00313   0.01721   0.00547   2.06616
   R75        2.07016  -0.00032  -0.00028  -0.00069  -0.00062   2.06954
   R76        2.42084  -0.00062   0.00510  -0.00304   0.00374   2.42458
   R77        2.55430  -0.00641  -0.00344  -0.01025  -0.00856   2.54574
   R78        1.91535   0.00138  -0.00015   0.00315   0.00142   1.91678
   R79        2.76902   0.00220  -0.00149   0.00746   0.00224   2.77126
   R80        2.07352  -0.00018   0.00001  -0.00054  -0.00026   2.07326
   R81        2.06080   0.00036  -0.00034   0.00127   0.00030   2.06110
   R82        2.07046  -0.00046  -0.00018  -0.00120  -0.00078   2.06968
   R83        2.07061  -0.00004  -0.00007  -0.00007  -0.00011   2.07051
   R84        2.06983  -0.00021  -0.00006  -0.00057  -0.00035   2.06948
   R85        2.06899   0.00019   0.00010   0.00048   0.00034   2.06934
    A1        1.92267   0.00004   0.00001   0.00043   0.00028   1.92295
    A2        1.93824   0.00064   0.00054   0.00265   0.00180   1.94004
    A3        1.94417  -0.00089  -0.00100  -0.00388  -0.00291   1.94125
    A4        1.88489  -0.00049  -0.00035  -0.00332  -0.00203   1.88286
    A5        1.88340   0.00064   0.00062   0.00424   0.00282   1.88623
    A6        1.88848   0.00007   0.00018  -0.00007   0.00009   1.88857
    A7        1.98693   0.00205   0.00094   0.01553   0.00892   1.99585
    A8        1.90159  -0.00099  -0.00080  -0.00361  -0.00270   1.89889
    A9        1.90283  -0.00054  -0.00064  -0.00635  -0.00396   1.89887
   A10        1.88770   0.00152   0.00155   0.01636   0.00965   1.89735
   A11        1.91919  -0.00209  -0.00096  -0.01815  -0.01007   1.90912
   A12        1.86135  -0.00005  -0.00014  -0.00474  -0.00247   1.85888
   A13        2.31911   0.00491   0.00481   0.01662   0.01341   2.33252
   A14        2.14139  -0.00414  -0.00350  -0.01468  -0.01112   2.13027
   A15        1.82210  -0.00076  -0.00132  -0.00151  -0.00210   1.81999
   A16        1.94179   0.00115   0.00332  -0.00429   0.00116   1.94295
   A17        2.21916   0.00087  -0.00023   0.00932   0.00442   2.22358
   A18        2.12219  -0.00203  -0.00310  -0.00515  -0.00569   2.11650
   A19        1.89520   0.00047  -0.00025   0.00493   0.00224   1.89744
   A20        2.19233  -0.00020  -0.00019  -0.00199  -0.00121   2.19112
   A21        2.19565  -0.00027   0.00044  -0.00292  -0.00104   2.19461
   A22        1.94405  -0.00014   0.00297  -0.00982  -0.00181   1.94223
   A23        2.14084  -0.00039  -0.00299   0.00330  -0.00141   2.13943
   A24        2.19813   0.00055   0.00004   0.00668   0.00330   2.20143
   A25        1.82162  -0.00071  -0.00473   0.01073   0.00053   1.82215
   A26        2.28875   0.00214   0.00152   0.00334   0.00327   2.29202
   A27        1.67509   0.00306   0.00616   0.03492   0.02329   1.69837
   A28        1.93592  -0.00047  -0.00040  -0.00241  -0.00157   1.93435
   A29        1.93852   0.00054   0.00052   0.00311   0.00211   1.94063
   A30        1.93438   0.00018   0.00036   0.00045   0.00071   1.93509
   A31        1.88132   0.00009  -0.00010   0.00122   0.00037   1.88169
   A32        1.88833  -0.00001  -0.00009  -0.00094  -0.00059   1.88773
   A33        1.88330  -0.00034  -0.00032  -0.00148  -0.00110   1.88220
   A34        1.96765   0.00016  -0.00149   0.00928   0.00335   1.97101
   A35        1.92434   0.00020   0.00184   0.00011   0.00181   1.92615
   A36        1.91124  -0.00066  -0.00095  -0.00871  -0.00542   1.90582
   A37        1.89375   0.00112   0.00101   0.01064   0.00625   1.90001
   A38        1.89368  -0.00123  -0.00027  -0.01597  -0.00833   1.88535
   A39        1.87038   0.00040  -0.00007   0.00433   0.00215   1.87253
   A40        1.89682   0.00301  -0.00705   0.03842   0.01223   1.90905
   A41        1.94204   0.00057   0.00241   0.00479   0.00489   1.94693
   A42        1.92000  -0.00122   0.00210  -0.01461  -0.00534   1.91466
   A43        1.89726  -0.00189   0.00113  -0.01035  -0.00415   1.89310
   A44        1.91929  -0.00028   0.00288  -0.01085  -0.00253   1.91676
   A45        1.88837  -0.00023  -0.00136  -0.00795  -0.00535   1.88302
   A46        2.04289   0.01083   0.00513   0.03858   0.02440   2.06729
   A47        2.13681  -0.01274  -0.00028  -0.05287  -0.02624   2.11057
   A48        2.10070   0.00181  -0.00512   0.01399   0.00137   2.10207
   A49        1.66217   0.00505   0.03978  -0.00182   0.03886   1.70103
   A50        1.88347  -0.00911  -0.02312   0.00456  -0.02269   1.86079
   A51        1.93877  -0.00010  -0.00013  -0.00128  -0.00073   1.93804
   A52        1.92566  -0.00069   0.00014  -0.00404  -0.00191   1.92375
   A53        1.94191   0.00025  -0.00015   0.00237   0.00099   1.94290
   A54        1.88284   0.00014  -0.00011  -0.00054  -0.00032   1.88252
   A55        1.88823  -0.00012   0.00002  -0.00083  -0.00036   1.88788
   A56        1.88439   0.00054   0.00023   0.00445   0.00241   1.88680
   A57        2.00738   0.00073   0.00321  -0.01589  -0.00482   2.00256
   A58        1.88434  -0.00080  -0.00229   0.00249  -0.00110   1.88324
   A59        1.90957   0.00074   0.00043   0.00876   0.00491   1.91449
   A60        1.89842  -0.00039  -0.00070   0.00091  -0.00023   1.89819
   A61        1.89980  -0.00009  -0.00098   0.00789   0.00297   1.90277
   A62        1.85862  -0.00027   0.00013  -0.00354  -0.00165   1.85696
   A63        2.32682  -0.00280  -0.00064  -0.01716  -0.00948   2.31734
   A64        2.13633   0.00191   0.00148   0.00662   0.00495   2.14128
   A65        1.81980   0.00085  -0.00087   0.00987   0.00400   1.82381
   A66        1.94360  -0.00234   0.00409  -0.02041  -0.00608   1.93752
   A67        2.22157   0.00051  -0.00392   0.00675  -0.00079   2.22078
   A68        2.11576   0.00154  -0.00044   0.01032   0.00444   2.12020
   A69        1.89942  -0.00074  -0.00067  -0.00209  -0.00179   1.89763
   A70        2.18839   0.00064   0.00000   0.00245   0.00120   2.18959
   A71        2.19456   0.00001   0.00058  -0.00136  -0.00013   2.19442
   A72        1.93714  -0.00184   0.00290  -0.01472  -0.00450   1.93264
   A73        2.16831   0.00010  -0.00307   0.00326  -0.00146   2.16684
   A74        2.17712   0.00169   0.00011   0.01070   0.00544   2.18256
   A75        1.82437   0.00398  -0.00554   0.02666   0.00775   1.83212
   A76        2.29982  -0.00419   0.00196  -0.01810  -0.00771   2.29211
   A77        2.08103   0.00138   0.00438   0.01501   0.01203   2.09306
   A78        1.94172  -0.00014  -0.00019   0.00008  -0.00015   1.94157
   A79        1.94310  -0.00022   0.00008  -0.00210  -0.00101   1.94209
   A80        1.92403   0.00029  -0.00017   0.00182   0.00083   1.92486
   A81        1.88985   0.00020   0.00004   0.00120   0.00054   1.89039
   A82        1.87837   0.00017   0.00035   0.00208   0.00143   1.87980
   A83        1.88453  -0.00031  -0.00009  -0.00305  -0.00161   1.88292
   A84        1.94225   0.00290  -0.00341   0.01842   0.00612   1.94837
   A85        1.90654  -0.00138  -0.00015  -0.00417  -0.00231   1.90423
   A86        1.91965  -0.00060   0.00205  -0.00800  -0.00208   1.91757
   A87        1.91776  -0.00089   0.00106  -0.00505  -0.00155   1.91621
   A88        1.92276  -0.00085   0.00082  -0.00464  -0.00158   1.92118
   A89        1.85273   0.00069  -0.00020   0.00256   0.00111   1.85384
   A90        2.28682   0.00253  -0.00301   0.01108   0.00284   2.28967
   A91        2.16689  -0.00153   0.00254  -0.00683  -0.00120   2.16570
   A92        1.82946  -0.00100   0.00047  -0.00430  -0.00171   1.82776
   A93        1.92013  -0.00076   0.00069  -0.00166  -0.00020   1.91993
   A94        2.24687   0.00111   0.00016   0.00457   0.00244   2.24932
   A95        2.11617  -0.00034  -0.00081  -0.00284  -0.00224   2.11393
   A96        1.89881   0.00094  -0.00102   0.00482   0.00144   1.90025
   A97        2.19323  -0.00075   0.00025  -0.00390  -0.00175   2.19148
   A98        2.19098  -0.00021   0.00075  -0.00114   0.00013   2.19111
   A99        1.91352   0.00132   0.00061   0.00057   0.00097   1.91449
   A100       2.18978  -0.00159  -0.00092  -0.00524  -0.00365   2.18614
   A101       2.17986   0.00026   0.00031   0.00450   0.00245   2.18232
   A102       1.86270  -0.00051  -0.00076   0.00070  -0.00047   1.86223
   A103       2.17102  -0.00190  -0.00238  -0.01496  -0.00957   2.16145
   A104       2.21290   0.00298   0.00361   0.02256   0.01451   2.22740
   A105       1.58804  -0.00099  -0.00610   0.00025  -0.00608   1.58196
   A106       1.47456  -0.00116   0.00554  -0.01401  -0.00113   1.47343
   A107       1.49324  -0.00110  -0.00786  -0.00402  -0.01020   1.48304
   A108       2.82974   0.00607   0.00782   0.04638   0.03083   2.86057
   A109       1.75359   0.00401   0.00385   0.01269   0.01015   1.76374
   A110       2.04599  -0.00732  -0.00511  -0.07090  -0.04057   2.00542
   A111       1.42495   0.01045   0.00567   0.07605   0.04324   1.46819
   A112       1.31825   0.00550   0.01171   0.03886   0.03105   1.34930
   A113       2.86454  -0.00379   0.00430  -0.00834   0.00004   2.86459
   A114       2.77067  -0.00397  -0.00213  -0.01304  -0.00848   2.76219
   A115       1.59259   0.00043  -0.00481  -0.00307  -0.00513   1.58746
   A116       1.31196   0.01021   0.00024   0.07253   0.03657   1.34853
   A117       1.80882   0.00090   0.00538   0.00743   0.00768   1.81649
   A118       1.54077  -0.01213  -0.00029  -0.07153  -0.03562   1.50515
   A119       1.66075  -0.00893  -0.01125  -0.05668  -0.03917   1.62158
   A120       1.92765  -0.00461   0.00542  -0.03136  -0.00973   1.91793
   A121       2.73668   0.00778   0.02010   0.02692   0.03389   2.77057
   A122       1.57267  -0.00233  -0.02277   0.00703  -0.02021   1.55246
   A123       2.36378   0.00173  -0.00186   0.00634   0.00107   2.36485
   A124       2.49540   0.01166   0.03734   0.06065   0.06768   2.56308
   A125       2.20791  -0.01494   0.01070  -0.06485  -0.02174   2.18616
   A126       2.07426   0.00555  -0.00534   0.02483   0.00703   2.08129
   A127       2.00102   0.00940  -0.00534   0.04010   0.01466   2.01568
   A128       2.01533   0.01839   0.00723   0.09205   0.05339   2.06872
   A129       2.18302   0.00245   0.00563  -0.00409   0.00305   2.18607
   A130       2.04621  -0.00189  -0.00328  -0.00065  -0.00338   2.04283
   A131       2.05236  -0.00049  -0.00236   0.00589   0.00083   2.05320
   A132       1.98047   0.00112   0.00261  -0.00481   0.00018   1.98065
   A133       1.88334   0.00218  -0.00234   0.02013   0.00766   1.89100
   A134       1.89855  -0.00078  -0.00208   0.00059  -0.00178   1.89677
   A135       1.83578  -0.00057  -0.00075   0.00954   0.00383   1.83961
   A136       1.96087  -0.00108   0.00264  -0.01531  -0.00485   1.95602
   A137       1.90119  -0.00077  -0.00027  -0.00864  -0.00460   1.89659
   A138       2.07732   0.00365  -0.00645   0.02777   0.00770   2.08502
   A139       2.03004  -0.00277   0.00357  -0.01724  -0.00526   2.02478
   A140       2.17506  -0.00097   0.00298  -0.01166  -0.00301   2.17205
   A141       1.75155  -0.00085   0.02704   0.01292   0.03345   1.78500
   A142       2.07343  -0.00042  -0.00004  -0.00147  -0.00092   2.07251
   A143       2.15921   0.00053   0.00098   0.00207   0.00186   2.16107
   A144       2.04995  -0.00003  -0.00087   0.00132  -0.00036   2.04959
   A145       1.93576  -0.00063  -0.00029  -0.00255  -0.00157   1.93419
   A146       1.89052   0.00006   0.00018   0.00031   0.00033   1.89085
   A147       1.91674  -0.00070  -0.00115  -0.00370  -0.00301   1.91373
   A148       1.90109   0.00078   0.00042   0.00586   0.00335   1.90443
   A149       1.90841   0.00069   0.00059   0.00329   0.00223   1.91064
   A150       1.91107  -0.00020   0.00028  -0.00319  -0.00132   1.90975
   A151       1.90729  -0.00059  -0.00036  -0.00465  -0.00269   1.90460
   A152       1.90423   0.00003   0.00010   0.00046   0.00032   1.90455
   A153       1.97502   0.00141   0.00033   0.00907   0.00486   1.97988
   A154       1.87547  -0.00046  -0.00018  -0.00509  -0.00273   1.87274
   A155       1.89648  -0.00054  -0.00005  -0.00364  -0.00186   1.89462
   A156       1.90279   0.00005   0.00013   0.00314   0.00170   1.90448
    D1        3.11915   0.00133   0.00101   0.01491   0.00844   3.12759
    D2        1.01083  -0.00126  -0.00102  -0.01371  -0.00797   1.00286
    D3       -1.01424  -0.00036  -0.00006  -0.00257  -0.00140  -1.01564
    D4        1.03169   0.00150   0.00108   0.01708   0.00964   1.04132
    D5       -1.07663  -0.00109  -0.00095  -0.01154  -0.00678  -1.08341
    D6       -3.10170  -0.00018   0.00001  -0.00039  -0.00021  -3.10191
    D7       -1.07461   0.00158   0.00115   0.01800   0.01027  -1.06434
    D8        3.10026  -0.00101  -0.00088  -0.01062  -0.00614   3.09412
    D9        1.07518  -0.00011   0.00008   0.00052   0.00043   1.07561
   D10       -0.61135  -0.00157  -0.00103  -0.02986  -0.01612  -0.62746
   D11        2.48728  -0.00146  -0.00129  -0.01428  -0.00857   2.47870
   D12        1.50472  -0.00041  -0.00034  -0.01262  -0.00661   1.49811
   D13       -1.67984  -0.00030  -0.00059   0.00295   0.00093  -1.67891
   D14       -2.75219  -0.00074  -0.00014  -0.01890  -0.00964  -2.76184
   D15        0.34643  -0.00063  -0.00039  -0.00332  -0.00210   0.34433
   D16        3.11064  -0.00068  -0.00017   0.00840   0.00404   3.11468
   D17       -0.01994   0.00096   0.00111   0.02199   0.01211  -0.00783
   D18        0.00638  -0.00068   0.00012  -0.00480  -0.00232   0.00406
   D19       -3.12420   0.00096   0.00141   0.00879   0.00576  -3.11844
   D20       -3.11363   0.00056   0.00027  -0.00995  -0.00461  -3.11824
   D21        0.03042  -0.00074  -0.00057  -0.01925  -0.01016   0.02025
   D22       -0.00454   0.00080   0.00023   0.00234   0.00145  -0.00309
   D23        3.13950  -0.00051  -0.00061  -0.00696  -0.00411   3.13539
   D24       -0.00572   0.00030  -0.00040   0.00529   0.00226  -0.00345
   D25        1.94031   0.00537   0.00466   0.06968   0.03930   1.97961
   D26        3.12557  -0.00122  -0.00160  -0.00732  -0.00517   3.12040
   D27       -1.21159   0.00384   0.00347   0.05707   0.03187  -1.17973
   D28        0.00118  -0.00066  -0.00049   0.00092  -0.00009   0.00109
   D29       -3.12198  -0.00135  -0.00092  -0.00836  -0.00519  -3.12717
   D30        3.14031   0.00064   0.00034   0.01024   0.00549  -3.13739
   D31        0.01716  -0.00005  -0.00009   0.00096   0.00038   0.01753
   D32        0.00269   0.00022   0.00054  -0.00372  -0.00130   0.00139
   D33       -2.35707  -0.00330  -0.00216  -0.02817  -0.01649  -2.37357
   D34        3.12511   0.00092   0.00094   0.00588   0.00396   3.12908
   D35        0.76535  -0.00260  -0.00176  -0.01857  -0.01123   0.75412
   D36        1.34691   0.00019   0.00145  -0.03576  -0.01652   1.33038
   D37       -2.88969  -0.00704  -0.00316  -0.10663  -0.05665  -2.94635
   D38       -0.07622  -0.01035  -0.00431  -0.11193  -0.06020  -0.13641
   D39        2.05283   0.00028   0.00138  -0.01304  -0.00508   2.04775
   D40       -1.60201   0.00258  -0.00236  -0.03708  -0.02081  -1.62282
   D41       -2.92897   0.00339   0.00167   0.01666   0.01001  -2.91896
   D42       -0.88239  -0.00384  -0.00294  -0.05421  -0.03012  -0.91251
   D43        1.93109  -0.00715  -0.00409  -0.05951  -0.03366   1.89742
   D44       -2.22305   0.00348   0.00160   0.03938   0.02145  -2.20160
   D45        0.40529   0.00579  -0.00213   0.01534   0.00573   0.41102
   D46        0.76314  -0.00060  -0.00089   0.00186  -0.00003   0.76310
   D47        2.88251   0.00110   0.00070   0.02201   0.01167   2.89418
   D48       -1.34685   0.00131   0.00114   0.02210   0.01210  -1.33475
   D49       -1.32874  -0.00076  -0.00085  -0.00013  -0.00086  -1.32960
   D50        0.79063   0.00093   0.00074   0.02002   0.01084   0.80147
   D51        2.84445   0.00115   0.00118   0.02011   0.01127   2.85573
   D52        2.86109  -0.00080  -0.00103  -0.00062  -0.00135   2.85974
   D53       -1.30272   0.00090   0.00056   0.01953   0.01036  -1.29237
   D54        0.75110   0.00111   0.00100   0.01962   0.01078   0.76189
   D55       -1.24788   0.00314   0.00415   0.05141   0.02983  -1.21804
   D56        0.84062   0.00308   0.00251   0.06616   0.03567   0.87629
   D57        2.93312   0.00235   0.00370   0.04969   0.02860   2.96173
   D58        2.89866   0.00198   0.00209   0.03757   0.02079   2.91945
   D59       -1.29603   0.00192   0.00045   0.05233   0.02663  -1.26940
   D60        0.79648   0.00119   0.00163   0.03585   0.01956   0.81604
   D61        0.87210   0.00156   0.00177   0.03531   0.01940   0.89150
   D62        2.96060   0.00150   0.00013   0.05007   0.02523   2.98584
   D63       -1.23008   0.00077   0.00132   0.03359   0.01816  -1.21191
   D64       -0.64136   0.00222   0.00281   0.04792   0.02700  -0.61436
   D65        2.42026   0.00103  -0.00182   0.04448   0.02066   2.44092
   D66       -2.75756   0.00085   0.00346   0.02522   0.01615  -2.74141
   D67        0.30407  -0.00033  -0.00117   0.02179   0.00981   0.31388
   D68        1.46126   0.00242   0.00280   0.04729   0.02651   1.48777
   D69       -1.76030   0.00124  -0.00183   0.04386   0.02017  -1.74013
   D70        2.57395  -0.00017  -0.00343   0.00320  -0.00272   2.57124
   D71       -0.48942   0.00171   0.00093   0.00983   0.00493  -0.48449
   D72       -3.01638   0.00719   0.01595   0.05630   0.04280  -2.97358
   D73        0.04267   0.00633   0.01152   0.05371   0.03732   0.08000
   D74        0.82508  -0.00254  -0.00250  -0.06441  -0.03475   0.79032
   D75        1.06403  -0.00582  -0.01299  -0.09311  -0.05951   1.00452
   D76       -1.04370   0.00043   0.00061   0.00303   0.00218  -1.04152
   D77        1.07933  -0.00019   0.00015  -0.00455  -0.00213   1.07720
   D78        3.09534  -0.00056  -0.00072  -0.00277  -0.00210   3.09324
   D79       -3.13090   0.00077   0.00074   0.00717   0.00430  -3.12660
   D80       -1.00786   0.00016   0.00029  -0.00041  -0.00001  -1.00788
   D81        1.00814  -0.00022  -0.00059   0.00137   0.00002   1.00816
   D82        1.06111   0.00038   0.00045   0.00271   0.00190   1.06301
   D83       -3.09904  -0.00023   0.00000  -0.00488  -0.00241  -3.10145
   D84       -1.08304  -0.00060  -0.00087  -0.00309  -0.00238  -1.08541
   D85        0.73693  -0.00112  -0.00170  -0.01470  -0.00919   0.72773
   D86       -2.43138  -0.00371  -0.00389  -0.05437  -0.03118  -2.46256
   D87       -1.37846  -0.00029  -0.00040  -0.00781  -0.00435  -1.38281
   D88        1.73642  -0.00287  -0.00259  -0.04748  -0.02633   1.71009
   D89        2.88629   0.00030   0.00037  -0.00836  -0.00387   2.88243
   D90       -0.28202  -0.00228  -0.00182  -0.04803  -0.02585  -0.30786
   D91        3.08976  -0.00499  -0.00616  -0.05666  -0.03444   3.05532
   D92        0.02024  -0.00032  -0.00106  -0.00356  -0.00288   0.01736
   D93       -0.02856  -0.00276  -0.00427  -0.02214  -0.01538  -0.04394
   D94       -3.09808   0.00191   0.00083   0.03095   0.01618  -3.08190
   D95       -3.10162   0.00387   0.00450   0.04624   0.02779  -3.07383
   D96       -0.00164   0.00178   0.00186   0.02084   0.01239   0.01074
   D97        0.01991   0.00187   0.00286   0.01609   0.01093   0.03085
   D98        3.11989  -0.00021   0.00021  -0.00931  -0.00447   3.11542
   D99        0.02624   0.00268   0.00400   0.02020   0.01413   0.04037
   D100       2.73532   0.00669   0.00670   0.08904   0.05118   2.78651
   D101       3.10079  -0.00170  -0.00086  -0.02925  -0.01554   3.08525
   D102      -0.47332   0.00230   0.00183   0.03958   0.02152  -0.45180
   D103      -0.00439  -0.00027  -0.00048  -0.00405  -0.00251  -0.00689
   D104       3.10103  -0.00178  -0.00230  -0.02618  -0.01542   3.08561
   D105      -3.10418   0.00181   0.00219   0.02135   0.01291  -3.09127
   D106       0.00123   0.00029   0.00037  -0.00079   0.00000   0.00124
   D107      -0.01285  -0.00143  -0.00206  -0.00962  -0.00687  -0.01973
   D108      -2.78806  -0.00302  -0.00404  -0.05741  -0.03295  -2.82101
   D109      -3.11805   0.00014  -0.00017   0.01284   0.00635  -3.11170
   D110       0.38993  -0.00146  -0.00215  -0.03495  -0.01973   0.37021
   D111      -0.57177  -0.00373   0.00062  -0.07116  -0.03469  -0.60646
   D112      -2.04320  -0.00216  -0.00255  -0.05794  -0.03188  -2.07509
   D113       0.91808  -0.00438  -0.00611  -0.07305  -0.04313   0.87495
   D114       2.77686  -0.00796  -0.00527  -0.09789  -0.05374   2.72312
   D115       1.81052  -0.00203   0.00522  -0.03471  -0.01243   1.79809
   D116       2.08621   0.00097   0.00160   0.00636   0.00509   2.09131
   D117       0.61479   0.00254  -0.00158   0.01959   0.00790   0.62269
   D118      -2.70712   0.00031  -0.00514   0.00448  -0.00334  -2.71046
   D119      -0.84834  -0.00327  -0.00430  -0.02036  -0.01396  -0.86229
   D120      -1.81467   0.00267   0.00619   0.04282   0.02735  -1.78732
   D121      -1.05211  -0.00012  -0.00032   0.00154   0.00055  -1.05155
   D122       3.11057   0.00005   0.00068  -0.00127   0.00009   3.11066
   D123       1.08364   0.00035  -0.00016   0.00259   0.00125   1.08489
   D124       1.05759  -0.00010  -0.00035   0.00168   0.00044   1.05803
   D125      -1.06292   0.00006   0.00065  -0.00113  -0.00002  -1.06294
   D126      -3.08985   0.00036  -0.00018   0.00273   0.00114  -3.08871
   D127      -3.13455  -0.00044  -0.00052  -0.00230  -0.00168  -3.13623
   D128       1.02813  -0.00027   0.00047  -0.00511  -0.00215   1.02599
   D129      -0.99880   0.00003  -0.00036  -0.00125  -0.00098  -0.99978
   D130      -0.09273   0.00057   0.00144  -0.00234   0.00024  -0.09249
   D131       3.05357   0.00179   0.00265   0.01443   0.00980   3.06337
   D132       2.02122   0.00014  -0.00028   0.00112   0.00031   2.02153
   D133      -1.11566   0.00136   0.00092   0.01789   0.00987  -1.10579
   D134      -2.22668  -0.00005   0.00058  -0.00148  -0.00018  -2.22687
   D135       0.91962   0.00117   0.00179   0.01529   0.00938   0.92899
   D136      -3.12161   0.00176   0.00296   0.00746   0.00668  -3.11493
   D137       0.02538  -0.00028  -0.00005  -0.00638  -0.00322   0.02217
   D138       0.01596   0.00071   0.00193  -0.00691  -0.00151   0.01444
   D139      -3.12024  -0.00133  -0.00109  -0.02075  -0.01141  -3.13164
   D140       3.12799  -0.00155  -0.00251  -0.00796  -0.00646   3.12153
   D141       0.00485  -0.00015  -0.00061   0.00510   0.00196   0.00681
   D142      -0.00993  -0.00061  -0.00157   0.00509   0.00097  -0.00896
   D143      -3.13307   0.00079   0.00033   0.01815   0.00939  -3.12368
   D144      -0.01626  -0.00057  -0.00159   0.00616   0.00149  -0.01477
   D145      -2.88669  -0.00317  -0.00396  -0.02809  -0.01775  -2.90445
   D146       3.12041   0.00130   0.00118   0.01882   0.01051   3.13091
   D147       0.24997  -0.00130  -0.00120  -0.01543  -0.00874   0.24123
   D148       0.00015   0.00027   0.00064  -0.00145  -0.00008   0.00008
   D149      -3.13549   0.00210   0.00213   0.02866   0.01647  -3.11902
   D150       3.12333  -0.00113  -0.00125  -0.01453  -0.00852   3.11481
   D151      -0.01232   0.00070   0.00023   0.01558   0.00803  -0.00429
   D152       0.00964   0.00018   0.00056  -0.00278  -0.00084   0.00879
   D153       2.87160   0.00186   0.00173   0.02481   0.01434   2.88594
   D154      -3.13786  -0.00164  -0.00092  -0.03272  -0.01737   3.12796
   D155      -0.27589   0.00003   0.00026  -0.00513  -0.00219  -0.27808
   D156      -0.92395   0.00010   0.00005  -0.02436  -0.01214  -0.93608
   D157       0.61665  -0.00080  -0.00333  -0.02338  -0.01493   0.60173
   D158      -2.01342   0.00119   0.00518   0.01060   0.01031  -2.00311
   D159       1.91421   0.00654   0.00805   0.02757   0.02161   1.93581
   D160      -2.71090  -0.00283  -0.00232  -0.03034  -0.01738  -2.72828
   D161       2.54370  -0.00226  -0.00183  -0.06038  -0.03201   2.51169
   D162      -2.19888  -0.00316  -0.00521  -0.05940  -0.03480  -2.23368
   D163       1.45423  -0.00117   0.00330  -0.02542  -0.00957   1.44467
   D164      -0.90133   0.00418   0.00618  -0.00845   0.00173  -0.89960
   D165       0.75675  -0.00519  -0.00419  -0.06636  -0.03726   0.71950
   D166       1.12384   0.00129   0.00042   0.03593   0.01809   1.14193
   D167      -2.52320   0.00170   0.00225   0.03726   0.02058  -2.50263
   D168      -0.47585   0.00299   0.00571   0.04131   0.02666  -0.44919
   D169       2.16029   0.00340   0.00753   0.04264   0.02915   2.18944
   D170       2.21021   0.00016  -0.00254  -0.00074  -0.00287   2.20734
   D171      -1.43684   0.00057  -0.00071   0.00059  -0.00037  -1.43721
   D172      -1.74665  -0.00573  -0.00701  -0.02072  -0.01703  -1.76368
   D173       0.88949  -0.00532  -0.00518  -0.01939  -0.01454   0.87495
   D174       2.88044   0.00639   0.00462   0.05491   0.03230   2.91275
   D175      -0.76660   0.00680   0.00645   0.05625   0.03479  -0.73181
   D176       2.54067  -0.00251  -0.00809  -0.04458  -0.03108   2.50960
   D177      -3.00846  -0.00368  -0.01107  -0.02958  -0.02576  -3.03422
   D178       1.21805   0.00466  -0.00582   0.04755   0.01792   1.23598
   D179      -1.65646   0.00897  -0.00323   0.06185   0.02757  -1.62889
   D180      -0.09480  -0.00564  -0.00549  -0.02508  -0.01830  -0.11310
   D181       1.99831   0.00002   0.00609   0.01498   0.01277   2.01108
   D182      -0.36793  -0.00100   0.00224  -0.02037  -0.00831  -0.37624
   D183      -2.86468  -0.00008   0.01087   0.01286   0.01715  -2.84753
   D184       0.51200   0.00360   0.01429   0.03311   0.03081   0.54280
   D185      -1.29513   0.00365   0.00887   0.03125   0.02401  -1.27111
   D186       2.66543   0.00326   0.00719   0.03414   0.02447   2.68989
   D187      -0.28424  -0.00042  -0.00285   0.02147   0.00824  -0.27600
   D188       2.77242   0.00220   0.00337   0.05257   0.03069   2.80311
   D189      -0.84009   0.00171   0.00672   0.04784   0.03109  -0.80900
   D190       0.86760   0.00103  -0.00231   0.00830   0.00173   0.86933
   D191      -2.27119  -0.00015   0.00203  -0.02959  -0.01250  -2.28369
   D192       0.02737   0.00269   0.00953   0.01458   0.01717   0.04453
   D193      -3.05189   0.00145   0.00997  -0.00805   0.00636  -3.04553
   D194      -3.11692   0.00382   0.00536   0.05108   0.03092  -3.08601
   D195       0.08701   0.00258   0.00581   0.02845   0.02010   0.10712
   D196      -1.06924   0.00068  -0.00193   0.01733   0.00680  -1.06244
   D197       0.97672  -0.00019  -0.00230   0.00882   0.00218   0.97890
   D198       3.09827   0.00084  -0.00184   0.01924   0.00785   3.10613
   D199       2.07483  -0.00033   0.00206  -0.01601  -0.00602   2.06881
   D200      -2.16240  -0.00119   0.00169  -0.02452  -0.01064  -2.17303
   D201      -0.04085  -0.00016   0.00215  -0.01411  -0.00496  -0.04581
   D202      -1.54197   0.00011   0.00766  -0.00808   0.00397  -1.53800
   D203       0.48485   0.00144   0.00675   0.01383   0.01376   0.49861
   D204       2.54490   0.00132   0.00392   0.01509   0.01158   2.55647
   D205       1.53709   0.00131   0.00719   0.01440   0.01470   1.55179
   D206      -2.71929   0.00265   0.00627   0.03631   0.02450  -2.69479
   D207      -0.65924   0.00252   0.00344   0.03757   0.02231  -0.63693
   D208       0.42479   0.00432   0.00030   0.06090   0.03070   0.45549
   D209      -2.75689   0.00201   0.00260   0.03099   0.01780  -2.73908
   D210      -1.62985   0.00144   0.00220   0.03300   0.01884  -1.61101
   D211       1.47166  -0.00087   0.00451   0.00308   0.00594   1.47760
   D212       2.58756   0.00328   0.00160   0.04567   0.02460   2.61216
   D213      -0.59412   0.00098   0.00390   0.01575   0.01170  -0.58241
   D214       1.09971  -0.00156  -0.00083  -0.01939  -0.01131   1.08840
   D215      -1.99822   0.00098  -0.00332   0.01323   0.00277  -1.99545
   D216       0.11771  -0.00044  -0.00317  -0.01839  -0.01232   0.10539
   D217      -3.06192   0.00240  -0.00113   0.04328   0.02056  -3.04136
   D218      -3.06647  -0.00277  -0.00103  -0.04918  -0.02567  -3.09214
   D219       0.03708   0.00007   0.00101   0.01249   0.00721   0.04428
   D220      -2.00406  -0.00165  -0.00140  -0.03320  -0.01799  -2.02205
   D221       0.08138  -0.00102  -0.00095  -0.02735  -0.01463   0.06675
   D222       2.16775  -0.00164  -0.00118  -0.03321  -0.01778   2.14997
   D223       1.09996   0.00115   0.00065   0.02765   0.01447   1.11444
   D224      -3.09779   0.00177   0.00109   0.03349   0.01784  -3.07995
   D225      -1.01141   0.00116   0.00087   0.02764   0.01468  -0.99673
         Item               Value     Threshold  Converged?
 Maximum Force            0.033708     0.000450     NO 
 RMS     Force            0.003655     0.000300     NO 
 Maximum Displacement     0.377690     0.001800     NO 
 RMS     Displacement     0.078319     0.001200     NO 
 Predicted change in Energy=-1.353052D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.013911    0.872569    4.277289
      2          6           0       -3.054337   -0.327295    4.118761
      3          6           0       -1.836300   -0.043271    3.270802
      4          6           0       -1.616035    0.729161    2.134494
      5          7           0       -0.579106   -0.566248    3.580757
      6          6           0        0.328263   -0.112929    2.652736
      7          7           0       -0.262383    0.687480    1.740496
      8          6           0       -5.322564    0.431235    0.565720
      9          6           0       -5.717813    0.117982   -0.896299
     10          6           0       -5.227372   -1.275726   -1.369693
     11          6           0       -3.714333   -1.257607   -1.507984
     12          8           0       -3.142092   -0.162669   -1.920340
     13          8           0       -2.993375   -2.279595   -1.130745
     14          6           0       -2.785736    4.867979   -1.332774
     15          6           0       -1.797738    4.526006   -2.470260
     16          6           0       -0.846089    3.394162   -2.161982
     17          6           0       -1.011738    2.172193   -1.537456
     18          7           0        0.499369    3.405058   -2.561412
     19          6           0        1.072814    2.208005   -2.211087
     20          7           0        0.175184    1.410741   -1.592559
     21          6           0        4.475147    3.639675    2.431310
     22          6           0        5.234581    2.308334    2.260844
     23          6           0        4.375749    1.259956    1.613977
     24          6           0        3.040531    1.271179    1.254508
     25          7           0        4.832059   -0.019298    1.253025
     26          6           0        3.786358   -0.728102    0.712153
     27          7           0        2.680576    0.030942    0.707011
     28         30           0        0.878509   -0.311254   -0.362552
     29          1           0       -4.877204    0.587981    4.890421
     30          1           0       -4.388652    1.210228    3.304984
     31          1           0       -3.514629    1.718502    4.764610
     32          1           0       -3.607504   -1.167115    3.671922
     33          1           0       -2.734728   -0.659556    5.116801
     34          1           0       -2.337900    1.317827    1.593498
     35          1           0       -0.371728   -1.175560    4.361451
     36          1           0        1.363378   -0.391003    2.673814
     37          1           0       -4.282005    0.140784    0.759507
     38          1           0       -5.961139   -0.113052    1.275091
     39          1           0       -5.423408    1.503928    0.776945
     40          1           0       -6.809247    0.170600   -1.017122
     41          1           0       -5.280767    0.872978   -1.556789
     42          1           0       -5.502028   -2.063848   -0.655971
     43          1           0       -5.686656   -1.521070   -2.336258
     44          1           0       -3.411827    4.003450   -1.081936
     45          1           0       -3.448835    5.685721   -1.639699
     46          1           0       -2.255637    5.181395   -0.424780
     47          1           0       -2.386167    4.260725   -3.360802
     48          1           0       -1.216207    5.420593   -2.737524
     49          1           0       -1.921360    1.764807   -1.137202
     50          1           0        0.954238    4.151408   -3.071178
     51          1           0        2.084909    1.932608   -2.444856
     52          1           0        4.149619    4.038392    1.462680
     53          1           0        3.590628    3.514551    3.067193
     54          1           0        5.122601    4.388967    2.899355
     55          1           0        5.571632    1.956978    3.247857
     56          1           0        6.145166    2.470895    1.665141
     57          1           0        2.320990    2.066998    1.351164
     58          1           0        5.771606   -0.370360    1.392083
     59          1           0        3.838956   -1.745128    0.365573
     60          8           0       -0.920553   -1.068287   -0.763712
     61          1           0       -1.562486   -0.334054   -0.947560
     62          1           0       -1.804556   -1.911844   -1.173533
     63          6           0        2.749992   -1.634489   -2.452159
     64          8           0        2.036470   -0.577351   -2.303709
     65          7           0        2.320662   -2.913242   -2.232912
     66          6           0        0.964102   -3.292468   -1.844286
     67          6           0        0.738386   -3.294130   -0.309311
     68          8           0        1.461216   -2.539995    0.435657
     69          7           0       -0.272078   -4.064391    0.138417
     70          1           0        0.271234   -2.544344   -2.238867
     71          1           0        0.727900   -4.261748   -2.296020
     72          1           0        3.012223   -3.650272   -2.305525
     73          1           0       -0.759666   -4.661229   -0.521034
     74          6           0       -0.713529   -4.100197    1.536422
     75          1           0       -0.548048   -5.093319    1.972309
     76          1           0       -0.137147   -3.363417    2.097258
     77          1           0       -1.778168   -3.849465    1.592976
     78          6           0        4.189172   -1.499151   -2.921342
     79          1           0        4.201312   -1.030929   -3.911848
     80          1           0        4.727650   -0.832586   -2.239412
     81          1           0        4.719474   -2.455341   -2.981418
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0993222      0.0711688      0.0671697
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4918.6325946562 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33727 LenP2D=  122434.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.41D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.998804    0.048168    0.007532    0.003822 Ang=   5.61 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.90859574     A.U. after   11 cycles
            NFock= 11  Conv=0.85D-08     -V/T= 1.9788
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33727 LenP2D=  122434.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000553454    0.002400172   -0.003101915
      3        6           0.003271737   -0.007340633   -0.000627155
      4        6           0.002078332   -0.002221650   -0.003377242
      5        7          -0.002778231    0.000912351    0.000523206
      6        6           0.002524988   -0.001013369    0.000840604
      7        7          -0.005203654    0.012537707    0.010610693
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.002938863    0.002419757   -0.000560454
     10        6          -0.000489618    0.001128425    0.006083543
     11        6           0.007762640   -0.040110456   -0.019101105
     12        8           0.008100302    0.016748031    0.008469623
     13        8          -0.024374691    0.017044761   -0.001189152
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000641426    0.002078140   -0.002191929
     16        6           0.000010797   -0.003053768    0.002887760
     17        6           0.001003872    0.008476761    0.000354725
     18        7          -0.000874542    0.002125637   -0.002836289
     19        6           0.001702983    0.005273803    0.000542016
     20        7          -0.005731989   -0.026153057    0.005177166
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000668791   -0.000215973    0.000986002
     23        6          -0.000812162    0.000293263   -0.000439165
     24        6           0.002979321   -0.001338838   -0.000831929
     25        7           0.000517734    0.001329496    0.000694253
     26        6           0.001462851   -0.000494120    0.001390689
     27        7          -0.000521089   -0.004747819   -0.010344156
     28       30           0.019378828   -0.007974464   -0.006536985
     29        1           0.000078703    0.000228789   -0.000262195
     30        1           0.000305131    0.000018708   -0.000014732
     31        1          -0.000305977   -0.000043389   -0.000279750
     32        1           0.000751429    0.000101128    0.000974331
     33        1          -0.000893973    0.000236398   -0.000004287
     34        1          -0.000298125    0.000038945   -0.001103728
     35        1           0.000111251   -0.000794175    0.000428604
     36        1          -0.002462108    0.000117549   -0.000298668
     37        1           0.000062237   -0.000953857   -0.000514298
     38        1          -0.000445205    0.000205175    0.000215998
     39        1           0.000714869    0.000006542    0.000279757
     40        1           0.000144690   -0.000613112    0.001786788
     41        1          -0.000465961    0.000794608   -0.001283820
     42        1           0.001273738    0.000512276   -0.001528861
     43        1          -0.001530802    0.000279364   -0.000690455
     44        1          -0.000016758    0.000070925   -0.000149489
     45        1          -0.000049590    0.000398018   -0.000268917
     46        1          -0.000049795    0.000319358   -0.000009104
     47        1          -0.000857370   -0.000504218   -0.000841691
     48        1           0.000558218   -0.000318812    0.000471798
     49        1           0.001514936    0.001395959    0.000833636
     50        1          -0.000022468    0.000027839   -0.000071479
     51        1          -0.001865235   -0.000040430    0.000104026
     52        1           0.000003442    0.000138890    0.000071870
     53        1          -0.000170779   -0.000054490    0.000117297
     54        1           0.000051486    0.000031823    0.000371650
     55        1          -0.000038955    0.000241299   -0.000021710
     56        1           0.000511366   -0.000283247   -0.000489397
     57        1           0.000416032    0.000752470    0.000375208
     58        1           0.000148254    0.000009823    0.000406304
     59        1          -0.000047407    0.000793158    0.001535308
     60        8          -0.000387854    0.017665667   -0.005767026
     61        1          -0.008042637   -0.003462937   -0.003506642
     62        1           0.007118344   -0.006758346    0.024076218
     63        6          -0.003560504   -0.008392585   -0.006463457
     64        8          -0.008852816    0.021346093    0.013094233
     65        7           0.001450906   -0.003379874    0.002328257
     66        6           0.003095631   -0.001073373    0.002039429
     67        6          -0.006098208   -0.001199557   -0.001957633
     68        8           0.007124543    0.004857708   -0.008751668
     69        7          -0.008702547    0.003042704    0.000689022
     70        1           0.002478913   -0.000438360   -0.002170383
     71        1           0.000975757    0.000374208    0.001064613
     72        1           0.000178707    0.000620360   -0.001459569
     73        1           0.003155114   -0.001298768   -0.001399255
     74        6           0.002580066   -0.000447627    0.001902183
     75        1          -0.000018539    0.000062377   -0.000552436
     76        1           0.000284315   -0.000594371   -0.000210563
     77        1          -0.000095022   -0.000466696   -0.000296744
     78        6          -0.000271353    0.000476374   -0.000724853
     79        1           0.000317940    0.000007104   -0.000030339
     80        1           0.000175327   -0.000366624   -0.000343849
     81        1          -0.000030239   -0.000019607   -0.000326773
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.040110456 RMS     0.005616344

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.023797844 RMS     0.002686442
 Search for a local minimum.
 Step number   4 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    3    4
 DE= -1.55D-02 DEPred=-1.35D-02 R= 1.14D+00
 TightC=F SS=  1.41D+00  RLast= 3.45D-01 DXNew= 8.4853D-01 1.0358D+00
 Trust test= 1.14D+00 RLast= 3.45D-01 DXMaxT set to 8.49D-01
 ITU=  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00230   0.00230   0.00230   0.00230   0.00364
     Eigenvalues ---    0.00376   0.00506   0.00528   0.00592   0.00601
     Eigenvalues ---    0.00671   0.00755   0.00762   0.00838   0.00897
     Eigenvalues ---    0.00971   0.01175   0.01223   0.01279   0.01316
     Eigenvalues ---    0.01339   0.01364   0.01367   0.01372   0.01420
     Eigenvalues ---    0.01436   0.01695   0.01700   0.01759   0.01830
     Eigenvalues ---    0.01841   0.01847   0.01881   0.01906   0.01930
     Eigenvalues ---    0.01933   0.02094   0.02120   0.02139   0.02163
     Eigenvalues ---    0.02168   0.02265   0.02277   0.02299   0.02329
     Eigenvalues ---    0.02703   0.02740   0.03010   0.03357   0.03711
     Eigenvalues ---    0.03767   0.03944   0.04020   0.04081   0.04352
     Eigenvalues ---    0.04408   0.04759   0.05139   0.05270   0.05356
     Eigenvalues ---    0.05374   0.05393   0.05394   0.05394   0.05427
     Eigenvalues ---    0.05450   0.05478   0.05513   0.05520   0.05523
     Eigenvalues ---    0.05812   0.06438   0.06783   0.06866   0.06932
     Eigenvalues ---    0.07186   0.07373   0.07477   0.07630   0.08290
     Eigenvalues ---    0.08420   0.08838   0.08874   0.09160   0.09247
     Eigenvalues ---    0.09648   0.09691   0.10056   0.10637   0.11173
     Eigenvalues ---    0.11861   0.12254   0.12506   0.12645   0.12767
     Eigenvalues ---    0.13039   0.13093   0.14599   0.15382   0.15888
     Eigenvalues ---    0.15953   0.15959   0.15980   0.15988   0.15991
     Eigenvalues ---    0.15995   0.15998   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16106   0.16387   0.16924
     Eigenvalues ---    0.17406   0.18313   0.19335   0.20267   0.20412
     Eigenvalues ---    0.20849   0.21285   0.21841   0.22002   0.22022
     Eigenvalues ---    0.22272   0.22671   0.22723   0.22903   0.23319
     Eigenvalues ---    0.23385   0.23492   0.24168   0.24463   0.24758
     Eigenvalues ---    0.24980   0.25026   0.26358   0.26965   0.27458
     Eigenvalues ---    0.27621   0.27976   0.28164   0.28324   0.30132
     Eigenvalues ---    0.30662   0.31319   0.31558   0.31692   0.32981
     Eigenvalues ---    0.33610   0.33618   0.33638   0.33654   0.33663
     Eigenvalues ---    0.33716   0.33782   0.33808   0.33870   0.33901
     Eigenvalues ---    0.33926   0.33932   0.33946   0.33983   0.33985
     Eigenvalues ---    0.33994   0.34011   0.34046   0.34072   0.34074
     Eigenvalues ---    0.34095   0.34130   0.34172   0.34177   0.34182
     Eigenvalues ---    0.34211   0.34247   0.34257   0.34301   0.34609
     Eigenvalues ---    0.35479   0.35685   0.35745   0.35999   0.36221
     Eigenvalues ---    0.36321   0.36334   0.36457   0.38391   0.39084
     Eigenvalues ---    0.39258   0.41611   0.42301   0.42439   0.44988
     Eigenvalues ---    0.45172   0.45293   0.45461   0.45486   0.45582
     Eigenvalues ---    0.45590   0.45638   0.46758   0.48759   0.48991
     Eigenvalues ---    0.49120   0.49553   0.49721   0.52236   0.54374
     Eigenvalues ---    0.54699   0.54845   0.54983   0.71862   0.73474
     Eigenvalues ---    0.760821000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 RFO step:  Lambda=-1.79354379D-02 EMin= 2.29899274D-03
 Quartic linear search produced a step of  1.76574.
 Iteration  1 RMS(Cart)=  0.19398673 RMS(Int)=  0.00668010
 Iteration  2 RMS(Cart)=  0.02786103 RMS(Int)=  0.00158631
 Iteration  3 RMS(Cart)=  0.00043059 RMS(Int)=  0.00158419
 New curvilinear step failed, DQL= 5.22D-05 SP=-5.25D-03.
 ITry= 1 IFail=1 DXMaxC= 1.12D+00 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.18820277 RMS(Int)=  0.00618220
 Iteration  2 RMS(Cart)=  0.02550191 RMS(Int)=  0.00148911
 Iteration  3 RMS(Cart)=  0.00036340 RMS(Int)=  0.00148747
 New curvilinear step failed, DQL= 6.71D-05 SP=-3.81D-03.
 ITry= 2 IFail=1 DXMaxC= 1.08D+00 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.18228969 RMS(Int)=  0.00569978
 Iteration  2 RMS(Cart)=  0.02349593 RMS(Int)=  0.00139701
 Iteration  3 RMS(Cart)=  0.00030596 RMS(Int)=  0.00139574
 New curvilinear step failed, DQL= 7.37D-05 SP=-3.10D-03.
 ITry= 3 IFail=1 DXMaxC= 1.04D+00 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.17621636 RMS(Int)=  0.00521486
 Iteration  2 RMS(Cart)=  0.02186114 RMS(Int)=  0.00130995
 Iteration  3 RMS(Cart)=  0.00025665 RMS(Int)=  0.00130900
 New curvilinear step failed, DQL= 7.02D-05 SP=-2.73D-03.
 ITry= 4 IFail=1 DXMaxC= 9.95D-01 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.17027603 RMS(Int)=  0.00475827
 Iteration  2 RMS(Cart)=  0.02029023 RMS(Int)=  0.00122791
 Iteration  3 RMS(Cart)=  0.00021370 RMS(Int)=  0.00122721
 New curvilinear step failed, DQL= 6.60D-05 SP=-2.39D-03.
 ITry= 5 IFail=1 DXMaxC= 9.54D-01 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.16448772 RMS(Int)=  0.00433012
 Iteration  2 RMS(Cart)=  0.01878268 RMS(Int)=  0.00115082
 Iteration  3 RMS(Cart)=  0.00017667 RMS(Int)=  0.00115030
 New curvilinear step failed, DQL= 6.08D-05 SP=-2.10D-03.
 ITry= 6 IFail=1 DXMaxC= 9.13D-01 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15887241 RMS(Int)=  0.00393040
 Iteration  2 RMS(Cart)=  0.01733781 RMS(Int)=  0.00107861
 Iteration  3 RMS(Cart)=  0.00014481 RMS(Int)=  0.00107823
 New curvilinear step failed, DQL= 5.58D-05 SP=-1.84D-03.
 ITry= 7 IFail=1 DXMaxC= 8.75D-01 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15345307 RMS(Int)=  0.00355903
 Iteration  2 RMS(Cart)=  0.01595558 RMS(Int)=  0.00101118
 Iteration  3 RMS(Cart)=  0.00011801 RMS(Int)=  0.00101091
 New curvilinear step failed, DQL= 4.97D-05 SP=-1.64D-03.
 ITry= 8 IFail=1 DXMaxC= 8.36D-01 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.14825462 RMS(Int)=  0.00321592
 Iteration  2 RMS(Cart)=  0.01463644 RMS(Int)=  0.00094844
 Iteration  3 RMS(Cart)=  0.00009544 RMS(Int)=  0.00094824
 New curvilinear step failed, DQL= 4.37D-05 SP=-1.45D-03.
 ITry= 9 IFail=1 DXMaxC= 7.97D-01 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.14330369 RMS(Int)=  0.00290092
 Iteration  2 RMS(Cart)=  0.01338175 RMS(Int)=  0.00089027
 Iteration  3 RMS(Cart)=  0.00007702 RMS(Int)=  0.00089013
 New curvilinear step failed, DQL= 3.67D-05 SP=-1.33D-03.
 ITry=10 IFail=1 DXMaxC= 7.58D-01 DCOld= 1.00D+10 DXMaxT= 8.49D-01 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.04025330 RMS(Int)=  0.03705369 XScale=  4.98433264
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.04034812 RMS(Int)=  0.02774024 XScale=  2.48432993
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.04076635 RMS(Int)=  0.01849210 XScale=  1.65190570
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.04194467 RMS(Int)=  0.00954730 XScale=  1.23744071
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.04583707 RMS(Int)=  0.00295294 XScale=  0.99226389
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00916741 RMS(Int)=  0.00778093 XScale=  1.17948994
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00940301 RMS(Int)=  0.00603857 XScale=  1.12698665
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00974097 RMS(Int)=  0.00433665 XScale=  1.07930945
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.01028685 RMS(Int)=  0.00273827 XScale=  1.03602594
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.01147423 RMS(Int)=  0.00166786 XScale=  0.99714757
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00229485 RMS(Int)=  0.00242025 XScale=  1.02807370
 RedQX1 iteration     3 Try  2 RMS(Cart)=  0.00235048 RMS(Int)=  0.00212444 XScale=  1.02031589
 RedQX1 iteration     3 Try  3 RMS(Cart)=  0.00242423 RMS(Int)=  0.00186551 XScale=  1.01278203
 RedQX1 iteration     3 Try  4 RMS(Cart)=  0.00253364 RMS(Int)=  0.00166882 XScale=  1.00554251
 RedQX1 iteration     3 Try  5 RMS(Cart)=  0.00274959 RMS(Int)=  0.00157834 XScale=  0.99884757
 RedQX1 iteration     4 Try  1 RMS(Cart)=  0.00054992 RMS(Int)=  0.00163738 XScale=  1.00420418
 RedQX1 iteration     4 Try  2 RMS(Cart)=  0.00055882 RMS(Int)=  0.00161130 XScale=  1.00289825
 RedQX1 iteration     4 Try  3 RMS(Cart)=  0.00057024 RMS(Int)=  0.00159128 XScale=  1.00163712
 RedQX1 iteration     4 Try  4 RMS(Cart)=  0.00058648 RMS(Int)=  0.00157820 XScale=  1.00044717
 RedQX1 iteration     4 Try  5 RMS(Cart)=  0.00061690 RMS(Int)=  0.00157348 XScale=  0.99941331
 RedQX1 iteration     4 Try  6 RMS(Cart)=  0.00006741 RMS(Int)=  0.00157297 XScale=  0.99960124
 RedQX1 iteration     5 Try  1 RMS(Cart)=  0.00000314 RMS(Int)=  0.00157296 XScale=  0.99960673
 RedQX1 iteration     5 Try  2 RMS(Cart)=  0.00000317 RMS(Int)=  0.00157296 XScale=  0.99961211
 RedQX1 iteration     5 Try  3 RMS(Cart)=  0.00000320 RMS(Int)=  0.00157295 XScale=  0.99961732
 RedQX1 iteration     5 Try  4 RMS(Cart)=  0.00000325 RMS(Int)=  0.00157295 XScale=  0.99962223
 RedQX1 iteration     5 Try  5 RMS(Cart)=  0.00000334 RMS(Int)=  0.00157294 XScale=  0.99962646
 RedQX1 iteration     5 Try  6 RMS(Cart)=  0.00000040 RMS(Int)=  0.00157294 XScale=  0.99962556
 RedQX1 iteration     6 Try  1 RMS(Cart)=  0.00000002 RMS(Int)=  0.00157294 XScale=  0.99962553
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00006697 RMS(Int)=  0.00009017 XScale=  5.13367663
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00006692 RMS(Int)=  0.00006991 XScale=  2.56877782
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00006687 RMS(Int)=  0.00005068 XScale=  1.71382632
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00006681 RMS(Int)=  0.00003424 XScale=  1.28632363
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00006679 RMS(Int)=  0.00002639 XScale=  1.02965475
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000371 RMS(Int)=  0.00002636 XScale=  1.02968287
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48455  -0.00026   0.00000   0.00000  -0.00011   8.48444
    Y1       -0.92763   0.00085   0.00000   0.00000   0.00003  -0.92760
    Z1        7.47502  -0.00182   0.00000   0.00000  -0.00006   7.47496
    X8       10.19800   0.00190   0.00000   0.00000   0.00014  10.19814
    Y8        1.20624   0.00046   0.00000   0.00000  -0.00003   1.20621
    Z8        0.50967   0.00137   0.00000   0.00000   0.00004   0.50971
   X14        7.21041  -0.00103   0.00000   0.00000  -0.00006   7.21034
   Y14       -7.64142  -0.00025   0.00000   0.00000   0.00004  -7.64138
   Z14       -3.84248  -0.00043   0.00000   0.00000  -0.00001  -3.84249
   X21       -6.13879   0.00047   0.00000   0.00000   0.00003  -6.13875
   Y21       -9.38865   0.00071   0.00000   0.00000  -0.00004  -9.38869
   Z21        4.09466  -0.00032   0.00000   0.00000   0.00003   4.09469
    R1        2.91875   0.00064  -0.00101   0.00377   0.00389   2.92264
    R2        2.07198   0.00000  -0.00020   0.00010  -0.00010   2.07189
    R3        2.06994   0.00012   0.00054   0.00043   0.00097   2.07090
    R4        2.07213   0.00001  -0.00105   0.00099  -0.00006   2.07207
    R5        2.85550  -0.00010   0.00751  -0.00666   0.00203   2.85752
    R6        2.07952  -0.00002   0.00323  -0.00354  -0.00031   2.07922
    R7        2.07752   0.00028   0.00012   0.00157   0.00170   2.07922
    R8        2.62962  -0.00196  -0.00145  -0.00180  -0.00313   2.62649
    R9        2.63894   0.00268   0.00637   0.00695   0.01326   2.65219
   R10        2.66535   0.00028   0.00264  -0.00590  -0.00218   2.66317
   R11        2.03555   0.00042  -0.00026   0.00176   0.00150   2.03705
   R12        2.59797  -0.00104  -0.00129   0.00056  -0.00041   2.59756
   R13        1.91204  -0.00003  -0.00037   0.00046   0.00008   1.91212
   R14        2.55057  -0.00054   0.00306  -0.00904  -0.00571   2.54487
   R15        2.02583   0.00243   0.00403   0.00543   0.00946   2.03529
   R16        4.89943   0.00121   0.04861  -0.02376   0.02610   4.92553
   R17        2.92258  -0.00064  -0.00461   0.00304  -0.00207   2.92051
   R18        2.07412  -0.00020   0.00062  -0.00199  -0.00137   2.07276
   R19        2.07632   0.00004   0.00006   0.00039   0.00046   2.07678
   R20        2.07479   0.00025   0.00070   0.00015   0.00085   2.07564
   R21        2.93185  -0.00085   0.00245  -0.01025  -0.00861   2.92324
   R22        2.07749  -0.00027   0.00026  -0.00225  -0.00199   2.07550
   R23        2.06774   0.00043  -0.00342   0.00747   0.00406   2.07180
   R24        2.87135   0.00119   0.01348  -0.00949   0.00253   2.87388
   R25        2.07524  -0.00059  -0.00003  -0.00270  -0.00273   2.07251
   R26        2.07473   0.00026   0.00004   0.00208   0.00212   2.07685
   R27        2.46128  -0.01935  -0.05362  -0.00012  -0.05231   2.40897
   R28        2.46864   0.02380   0.04980   0.00381   0.05387   2.52251
   R29        3.52059   0.00302   0.07487   0.01251   0.08801   3.60860
   R30        2.35296  -0.01202   0.08984  -0.07566   0.01191   2.36487
   R31        2.91959   0.00051   0.00306  -0.00377   0.00027   2.91986
   R32        2.07209   0.00001  -0.00080   0.00066  -0.00015   2.07195
   R33        2.07234  -0.00015   0.00046  -0.00091  -0.00046   2.07188
   R34        2.07327  -0.00014  -0.00040  -0.00042  -0.00082   2.07245
   R35        2.85451  -0.00048  -0.00659  -0.00019  -0.00616   2.84836
   R36        2.07843   0.00010  -0.00032   0.00091   0.00059   2.07902
   R37        2.07861  -0.00006  -0.00045   0.00008  -0.00038   2.07823
   R38        2.61212   0.00059  -0.00649   0.01276   0.00513   2.61725
   R39        2.65230   0.00166   0.00718  -0.00208   0.00515   2.65746
   R40        2.66688  -0.00238  -0.00607  -0.00754  -0.01318   2.65370
   R41        2.02966   0.00220   0.00588   0.00147   0.00734   2.03700
   R42        2.59416  -0.00007  -0.00147   0.00233   0.00168   2.59584
   R43        1.91209   0.00003  -0.00020   0.00029   0.00008   1.91217
   R44        2.55214  -0.00436  -0.00147  -0.01483  -0.01580   2.53635
   R45        2.03075   0.00183   0.00470   0.00150   0.00620   2.03695
   R46        4.21407   0.00111   0.07229  -0.07818  -0.00575   4.20832
   R47        2.91427   0.00002   0.00245   0.00000   0.00172   2.91599
   R48        2.07284  -0.00009  -0.00043   0.00010  -0.00033   2.07251
   R49        2.07214  -0.00008  -0.00038   0.00036  -0.00002   2.07212
   R50        2.06983   0.00009  -0.00007   0.00025   0.00018   2.07001
   R51        2.83782   0.00151   0.00734  -0.00233   0.00512   2.84294
   R52        2.07977   0.00003   0.00025  -0.00008   0.00017   2.07994
   R53        2.07909  -0.00008  -0.00032   0.00000  -0.00032   2.07877
   R54        2.61312   0.00217   0.00541  -0.00152   0.00506   2.61819
   R55        2.65572   0.00015   0.00130   0.00213   0.00275   2.65847
   R56        2.65068   0.00121   0.00494  -0.00403   0.00166   2.65234
   R57        2.03566  -0.00009  -0.00053  -0.00009  -0.00062   2.03504
   R58        2.59687  -0.00115  -0.00220   0.00013  -0.00290   2.59397
   R59        1.91351  -0.00005  -0.00016   0.00014  -0.00002   1.91349
   R60        2.53458  -0.00120  -0.00249  -0.00186  -0.00422   2.53036
   R61        2.03286   0.00044  -0.00421   0.00750   0.00328   2.03614
   R62        4.01250  -0.00382  -0.01185  -0.06035  -0.07169   3.94081
   R63        3.76556  -0.00576   0.00801  -0.04628  -0.03930   3.72626
   R64        4.30085   0.00085   0.05724  -0.02779   0.03135   4.33220
   R65        4.60720  -0.00107   0.03931  -0.02918   0.01020   4.61740
   R66        1.87548  -0.00037   0.00460  -0.00565  -0.00188   1.87360
   R67        2.43548  -0.01430   0.07415  -0.07341  -0.00154   2.43393
   R68        2.42644  -0.00983  -0.00864  -0.00675  -0.01434   2.41209
   R69        2.58251  -0.00287  -0.00899   0.00020  -0.00974   2.57276
   R70        2.87194   0.00019   0.00769  -0.01240  -0.00471   2.86723
   R71        2.76126   0.00295   0.00764  -0.00701  -0.00150   2.75976
   R72        1.91483   0.00012  -0.00041   0.00155   0.00114   1.91597
   R73        2.93188  -0.00295  -0.00620  -0.00944  -0.01701   2.91487
   R74        2.06616   0.00307   0.00966  -0.00182   0.00784   2.07400
   R75        2.06954   0.00000  -0.00110   0.00140   0.00030   2.06983
   R76        2.42458  -0.00384   0.00660  -0.01086  -0.00369   2.42089
   R77        2.54574  -0.00148  -0.01512   0.01303  -0.00210   2.54364
   R78        1.91678   0.00076   0.00251  -0.00071   0.00181   1.91858
   R79        2.77126   0.00177   0.00395   0.00196   0.00591   2.77717
   R80        2.07326  -0.00023  -0.00046  -0.00076  -0.00122   2.07204
   R81        2.06110   0.00031   0.00053   0.00049   0.00102   2.06212
   R82        2.06968  -0.00009  -0.00138   0.00145   0.00008   2.06975
   R83        2.07051   0.00003  -0.00019   0.00042   0.00023   2.07074
   R84        2.06948   0.00004  -0.00061   0.00121   0.00060   2.07008
   R85        2.06934  -0.00002   0.00061  -0.00098  -0.00037   2.06896
    A1        1.92295  -0.00009   0.00050  -0.00165  -0.00115   1.92180
    A2        1.94004   0.00029   0.00318  -0.00175   0.00143   1.94147
    A3        1.94125  -0.00030  -0.00515   0.00353  -0.00161   1.93964
    A4        1.88286  -0.00022  -0.00358   0.00066  -0.00292   1.87994
    A5        1.88623   0.00036   0.00498   0.00016   0.00514   1.89137
    A6        1.88857  -0.00003   0.00016  -0.00099  -0.00082   1.88775
    A7        1.99585   0.00099   0.01575  -0.00104   0.01615   2.01200
    A8        1.89889  -0.00032  -0.00477   0.00453  -0.00098   1.89791
    A9        1.89887  -0.00016  -0.00699   0.00249  -0.00496   1.89391
   A10        1.89735   0.00080   0.01704  -0.00284   0.01353   1.91088
   A11        1.90912  -0.00126  -0.01778  -0.00145  -0.01958   1.88954
   A12        1.85888  -0.00011  -0.00436  -0.00174  -0.00584   1.85304
   A13        2.33252   0.00285   0.02368  -0.00388   0.02025   2.35277
   A14        2.13027  -0.00267  -0.01963  -0.00103  -0.02099   2.10928
   A15        1.81999  -0.00017  -0.00371   0.00560   0.00111   1.82111
   A16        1.94295  -0.00005   0.00205  -0.01257  -0.00940   1.93354
   A17        2.22358   0.00090   0.00781   0.00636   0.01357   2.23715
   A18        2.11650  -0.00086  -0.01004   0.00640  -0.00423   2.11227
   A19        1.89744  -0.00019   0.00396  -0.00197   0.00229   1.89973
   A20        2.19112   0.00003  -0.00213  -0.00052  -0.00283   2.18829
   A21        2.19461   0.00016  -0.00183   0.00250   0.00048   2.19509
   A22        1.94223  -0.00029  -0.00320  -0.00841  -0.01101   1.93122
   A23        2.13943   0.00059  -0.00249   0.01398   0.01117   2.15060
   A24        2.20143  -0.00030   0.00583  -0.00557  -0.00008   2.20136
   A25        1.82215   0.00070   0.00093   0.01735   0.01701   1.83916
   A26        2.29202   0.00089   0.00577  -0.00243   0.00139   2.29340
   A27        1.69837   0.00144   0.04112   0.01735   0.05766   1.75603
   A28        1.93435  -0.00015  -0.00277   0.00213  -0.00064   1.93371
   A29        1.94063   0.00033   0.00373   0.00064   0.00437   1.94499
   A30        1.93509   0.00001   0.00125  -0.00226  -0.00102   1.93407
   A31        1.88169   0.00010   0.00066   0.00221   0.00286   1.88456
   A32        1.88773  -0.00008  -0.00105  -0.00219  -0.00325   1.88449
   A33        1.88220  -0.00020  -0.00194  -0.00055  -0.00249   1.87971
   A34        1.97101   0.00045   0.00592   0.00034   0.00482   1.97583
   A35        1.92615  -0.00004   0.00319  -0.00240   0.00162   1.92778
   A36        1.90582  -0.00044  -0.00956   0.00275  -0.00698   1.89884
   A37        1.90001   0.00039   0.01104  -0.00585   0.00554   1.90555
   A38        1.88535  -0.00069  -0.01471   0.00495  -0.00934   1.87601
   A39        1.87253   0.00031   0.00380   0.00038   0.00403   1.87656
   A40        1.90905   0.00219   0.02160   0.00028   0.01762   1.92667
   A41        1.94693   0.00055   0.00864   0.00602   0.01594   1.96287
   A42        1.91466  -0.00089  -0.00942  -0.00029  -0.00878   1.90588
   A43        1.89310  -0.00123  -0.00733   0.00327  -0.00375   1.88935
   A44        1.91676  -0.00051  -0.00447  -0.00779  -0.01040   1.90636
   A45        1.88302  -0.00016  -0.00945  -0.00171  -0.01173   1.87129
   A46        2.06729   0.00742   0.04308   0.00023   0.04315   2.11043
   A47        2.11057  -0.00978  -0.04633  -0.02225  -0.06544   2.04513
   A48        2.10207   0.00235   0.00242   0.02436   0.02353   2.12559
   A49        1.70103  -0.00181   0.06862  -0.03031   0.03228   1.73332
   A50        1.86079  -0.00428  -0.04006   0.03173  -0.02079   1.83999
   A51        1.93804  -0.00023  -0.00129  -0.00294  -0.00423   1.93381
   A52        1.92375  -0.00029  -0.00338   0.00267  -0.00071   1.92304
   A53        1.94290   0.00011   0.00174  -0.00063   0.00111   1.94401
   A54        1.88252   0.00006  -0.00057  -0.00111  -0.00169   1.88083
   A55        1.88788   0.00004  -0.00063   0.00127   0.00064   1.88851
   A56        1.88680   0.00033   0.00425   0.00079   0.00503   1.89183
   A57        2.00256  -0.00016  -0.00850  -0.00907  -0.01711   1.98546
   A58        1.88324  -0.00003  -0.00194   0.00995   0.00758   1.89083
   A59        1.91449   0.00025   0.00867  -0.00758   0.00126   1.91574
   A60        1.89819  -0.00024  -0.00041   0.00167   0.00112   1.89931
   A61        1.90277   0.00041   0.00525   0.00542   0.01051   1.91328
   A62        1.85696  -0.00025  -0.00292   0.00035  -0.00252   1.85444
   A63        2.31734  -0.00103  -0.01674   0.00641  -0.01213   2.30521
   A64        2.14128   0.00094   0.00873  -0.00755   0.00218   2.14346
   A65        1.82381   0.00003   0.00707   0.00016   0.00615   1.82996
   A66        1.93752  -0.00236  -0.01074  -0.01043  -0.01940   1.91812
   A67        2.22078   0.00125  -0.00140   0.01305   0.01029   2.23107
   A68        2.12020   0.00088   0.00785  -0.00006   0.00631   2.12651
   A69        1.89763  -0.00037  -0.00315   0.00291  -0.00027   1.89737
   A70        2.18959   0.00022   0.00212  -0.00328  -0.00129   2.18830
   A71        2.19442   0.00010  -0.00024   0.00142   0.00107   2.19549
   A72        1.93264  -0.00132  -0.00794  -0.00634  -0.01394   1.91871
   A73        2.16684   0.00069  -0.00259   0.01069   0.00771   2.17455
   A74        2.18256   0.00059   0.00960  -0.00422   0.00507   2.18763
   A75        1.83212   0.00397   0.01368   0.01615   0.02829   1.86041
   A76        2.29211  -0.00386  -0.01361   0.00462  -0.01801   2.27410
   A77        2.09306   0.00088   0.02123   0.01046   0.03116   2.12422
   A78        1.94157  -0.00001  -0.00026   0.00124   0.00098   1.94255
   A79        1.94209  -0.00012  -0.00178   0.00039  -0.00140   1.94070
   A80        1.92486  -0.00002   0.00147  -0.00327  -0.00180   1.92306
   A81        1.89039   0.00009   0.00095  -0.00040   0.00054   1.89093
   A82        1.87980   0.00018   0.00253   0.00135   0.00387   1.88367
   A83        1.88292  -0.00011  -0.00285   0.00076  -0.00209   1.88083
   A84        1.94837   0.00230   0.01080  -0.00063   0.01101   1.95938
   A85        1.90423  -0.00081  -0.00408   0.00508   0.00092   1.90515
   A86        1.91757  -0.00065  -0.00367  -0.00356  -0.00761   1.90996
   A87        1.91621  -0.00080  -0.00274  -0.00064  -0.00365   1.91255
   A88        1.92118  -0.00067  -0.00279  -0.00182  -0.00483   1.91634
   A89        1.85384   0.00053   0.00196   0.00174   0.00379   1.85764
   A90        2.28967   0.00240   0.00502   0.00182   0.00856   2.29822
   A91        2.16570  -0.00205  -0.00211  -0.00583  -0.00985   2.15585
   A92        1.82776  -0.00035  -0.00301   0.00398   0.00099   1.82875
   A93        1.91993  -0.00120  -0.00036  -0.00731  -0.00820   1.91173
   A94        2.24932   0.00127   0.00432   0.00689   0.01142   2.26073
   A95        2.11393  -0.00008  -0.00395   0.00046  -0.00328   2.11065
   A96        1.90025   0.00056   0.00254  -0.00021   0.00245   1.90270
   A97        2.19148  -0.00040  -0.00309   0.00096  -0.00225   2.18924
   A98        2.19111  -0.00018   0.00023  -0.00060  -0.00047   2.19064
   A99        1.91449   0.00043   0.00171  -0.00638  -0.00407   1.91043
   A100       2.18614  -0.00055  -0.00644   0.00678  -0.00043   2.18570
   A101       2.18232   0.00009   0.00433  -0.00059   0.00298   2.18530
   A102       1.86223   0.00055  -0.00083   0.01022   0.00892   1.87115
   A103       2.16145  -0.00107  -0.01691  -0.00304  -0.01814   2.14331
   A104       2.22740   0.00092   0.02561   0.00052   0.02265   2.25006
   A105       1.58196   0.00037  -0.01074   0.02126   0.00753   1.58949
   A106       1.47343  -0.00128  -0.00199  -0.01592  -0.01277   1.46067
   A107       1.48304  -0.00046  -0.01801   0.00122  -0.02157   1.46147
   A108       2.86057   0.00455   0.05445   0.01515   0.06743   2.92801
   A109       1.76374   0.00265   0.01793   0.00083   0.02123   1.78497
   A110       2.00542  -0.00476  -0.07164  -0.02239  -0.09475   1.91066
   A111       1.46819   0.00681   0.07636   0.02034   0.09571   1.56390
   A112       1.34930   0.00313   0.05482  -0.00016   0.05338   1.40268
   A113       2.86459  -0.00379   0.00008  -0.01221  -0.01320   2.85139
   A114       2.76219  -0.00259  -0.01498  -0.00220  -0.01709   2.74509
   A115       1.58746   0.00111  -0.00905  -0.00015  -0.00104   1.58642
   A116       1.34853   0.00760   0.06458   0.02110   0.08521   1.43375
   A117       1.81649  -0.00028   0.01356   0.00679   0.01221   1.82871
   A118       1.50515  -0.00858  -0.06290  -0.01224  -0.07154   1.43361
   A119       1.62158  -0.00634  -0.06917  -0.02184  -0.08948   1.53210
   A120       1.91793  -0.00542  -0.01718  -0.02858  -0.04196   1.87597
   A121       2.77057   0.00421   0.05983  -0.01872   0.04402   2.81459
   A122       1.55246   0.00164  -0.03569   0.04661   0.00436   1.55683
   A123       2.36485   0.00022   0.00189   0.00337  -0.00121   2.36364
   A124       2.56308   0.00770   0.11950   0.01453   0.13013   2.69321
   A125       2.18616  -0.01037  -0.03839  -0.00447  -0.04150   2.14466
   A126       2.08129   0.00446   0.01242   0.00741   0.01896   2.10025
   A127       2.01568   0.00590   0.02589  -0.00296   0.02204   2.03773
   A128       2.06872   0.01399   0.09427   0.03898   0.13537   2.20409
   A129       2.18607  -0.00026   0.00538  -0.02584  -0.02252   2.16355
   A130       2.04283   0.00021  -0.00596   0.02083   0.01550   2.05833
   A131       2.05320   0.00009   0.00147   0.00583   0.00804   2.06124
   A132       1.98065   0.00124   0.00032   0.00128   0.00207   1.98272
   A133       1.89100   0.00134   0.01352  -0.00670   0.00625   1.89725
   A134       1.89677  -0.00079  -0.00314   0.00290  -0.00012   1.89665
   A135       1.83961  -0.00062   0.00676   0.00285   0.00863   1.84824
   A136       1.95602  -0.00081  -0.00856  -0.00249  -0.01047   1.94555
   A137       1.89659  -0.00032  -0.00812   0.00193  -0.00609   1.89050
   A138       2.08502   0.00307   0.01360   0.01070   0.02574   2.11076
   A139       2.02478  -0.00162  -0.00928  -0.00124  -0.01160   2.01319
   A140       2.17205  -0.00154  -0.00532  -0.00957  -0.01576   2.15629
   A141       1.78500  -0.00150   0.05907   0.00880   0.06649   1.85149
   A142       2.07251   0.00015  -0.00163   0.00609   0.00159   2.07410
   A143       2.16107   0.00008   0.00329  -0.00235  -0.00193   2.15914
   A144       2.04959  -0.00022  -0.00063  -0.00341  -0.00691   2.04268
   A145       1.93419  -0.00043  -0.00277   0.00006  -0.00272   1.93147
   A146       1.89085  -0.00016   0.00058  -0.00304  -0.00247   1.88838
   A147       1.91373  -0.00041  -0.00531  -0.00043  -0.00577   1.90797
   A148       1.90443   0.00061   0.00591   0.00212   0.00803   1.91246
   A149       1.91064   0.00050   0.00394   0.00182   0.00575   1.91638
   A150       1.90975  -0.00012  -0.00233  -0.00058  -0.00293   1.90681
   A151       1.90460  -0.00068  -0.00474  -0.00456  -0.00932   1.89528
   A152       1.90455   0.00012   0.00057   0.00209   0.00264   1.90719
   A153       1.97988   0.00040   0.00858  -0.00753   0.00103   1.98091
   A154       1.87274  -0.00008  -0.00482   0.00391  -0.00092   1.87182
   A155       1.89462   0.00001  -0.00329   0.00421   0.00091   1.89553
   A156       1.90448   0.00020   0.00299   0.00250   0.00546   1.90994
    D1        3.12759   0.00077   0.01490   0.00141   0.01637  -3.13923
    D2        1.00286  -0.00069  -0.01408   0.00242  -0.01180   0.99105
    D3       -1.01564  -0.00030  -0.00248   0.00069  -0.00171  -1.01735
    D4        1.04132   0.00092   0.01701   0.00278   0.01985   1.06117
    D5       -1.08341  -0.00054  -0.01197   0.00378  -0.00832  -1.09173
    D6       -3.10191  -0.00015  -0.00036   0.00205   0.00177  -3.10014
    D7       -1.06434   0.00097   0.01814   0.00281   0.02101  -1.04332
    D8        3.09412  -0.00050  -0.01084   0.00382  -0.00716   3.08696
    D9        1.07561  -0.00010   0.00077   0.00209   0.00294   1.07855
   D10       -0.62746  -0.00127  -0.02846  -0.02736  -0.05615  -0.68362
   D11        2.47870  -0.00087  -0.01514   0.00339  -0.01211   2.46660
   D12        1.49811  -0.00042  -0.01168  -0.02432  -0.03570   1.46241
   D13       -1.67891  -0.00002   0.00164   0.00643   0.00834  -1.67056
   D14       -2.76184  -0.00080  -0.01703  -0.02877  -0.04601  -2.80785
   D15        0.34433  -0.00040  -0.00371   0.00197  -0.00196   0.34237
   D16        3.11468  -0.00015   0.00713   0.02921   0.03679  -3.13172
   D17       -0.00783   0.00077   0.02138   0.01848   0.04023   0.03240
   D18        0.00406  -0.00045  -0.00409   0.00239  -0.00183   0.00224
   D19       -3.11844   0.00047   0.01017  -0.00834   0.00161  -3.11683
   D20       -3.11824   0.00008  -0.00813  -0.02611  -0.03321   3.13174
   D21        0.02025  -0.00066  -0.01795  -0.02422  -0.04175  -0.02150
   D22       -0.00309   0.00045   0.00256  -0.00329  -0.00044  -0.00354
   D23        3.13539  -0.00029  -0.00725  -0.00140  -0.00898   3.12641
   D24       -0.00345   0.00026   0.00400  -0.00061   0.00336  -0.00010
   D25        1.97961   0.00375   0.06939   0.04219   0.11137   2.09098
   D26        3.12040  -0.00057  -0.00913   0.00939   0.00044   3.12084
   D27       -1.17973   0.00292   0.05627   0.05218   0.10845  -1.07127
   D28        0.00109  -0.00032  -0.00015   0.00314   0.00262   0.00372
   D29       -3.12717  -0.00070  -0.00917   0.00260  -0.00739  -3.13456
   D30       -3.13739   0.00043   0.00969   0.00126   0.01121  -3.12617
   D31        0.01753   0.00004   0.00067   0.00071   0.00120   0.01873
   D32        0.00139   0.00003  -0.00229  -0.00154  -0.00360  -0.00221
   D33       -2.37357  -0.00201  -0.02912  -0.01536  -0.04654  -2.42010
   D34        3.12908   0.00045   0.00700  -0.00079   0.00687   3.13595
   D35        0.75412  -0.00160  -0.01983  -0.01462  -0.03606   0.71806
   D36        1.33038  -0.00072  -0.02918  -0.05483  -0.08487   1.24552
   D37       -2.94635  -0.00550  -0.10004  -0.07899  -0.18063  -3.12698
   D38       -0.13641  -0.00751  -0.10629  -0.07337  -0.17987  -0.31629
   D39        2.04775  -0.00001  -0.00897  -0.00380  -0.01155   2.03620
   D40       -1.62282   0.00164  -0.03674  -0.06099  -0.09884  -1.72166
   D41       -2.91896   0.00233   0.01767  -0.01287   0.00465  -2.91431
   D42       -0.91251  -0.00245  -0.05318  -0.03703  -0.09111  -1.00363
   D43        1.89742  -0.00447  -0.05944  -0.03141  -0.09035   1.80707
   D44       -2.20160   0.00304   0.03788   0.03816   0.07797  -2.12363
   D45        0.41102   0.00469   0.01011  -0.01903  -0.00932   0.40170
   D46        0.76310   0.00008  -0.00006   0.03717   0.03687   0.79997
   D47        2.89418   0.00087   0.02061   0.02808   0.04871   2.94289
   D48       -1.33475   0.00096   0.02136   0.02878   0.05037  -1.28439
   D49       -1.32960  -0.00015  -0.00152   0.03254   0.03078  -1.29882
   D50        0.80147   0.00063   0.01915   0.02345   0.04262   0.84409
   D51        2.85573   0.00073   0.01990   0.02416   0.04427   2.90000
   D52        2.85974  -0.00012  -0.00238   0.03432   0.03170   2.89145
   D53       -1.29237   0.00067   0.01829   0.02523   0.04354  -1.24883
   D54        0.76189   0.00076   0.01904   0.02594   0.04520   0.80708
   D55       -1.21804   0.00185   0.05268   0.03961   0.09340  -1.12465
   D56        0.87629   0.00210   0.06299   0.04770   0.11116   0.98745
   D57        2.96173   0.00167   0.05051   0.04919   0.10076   3.06248
   D58        2.91945   0.00131   0.03671   0.04670   0.08390   3.00335
   D59       -1.26940   0.00156   0.04702   0.05478   0.10167  -1.16773
   D60        0.81604   0.00113   0.03454   0.05628   0.09126   0.90730
   D61        0.89150   0.00111   0.03425   0.04668   0.08128   0.97278
   D62        2.98584   0.00136   0.04456   0.05477   0.09904   3.08488
   D63       -1.21191   0.00093   0.03207   0.05626   0.08864  -1.12327
   D64       -0.61436   0.00167   0.04768   0.03795   0.08688  -0.52748
   D65        2.44092   0.00162   0.03648   0.07007   0.10598   2.54690
   D66       -2.74141   0.00043   0.02852   0.02837   0.05858  -2.68283
   D67        0.31388   0.00038   0.01733   0.06049   0.07768   0.39156
   D68        1.48777   0.00162   0.04682   0.03294   0.08051   1.56828
   D69       -1.74013   0.00158   0.03562   0.06506   0.09961  -1.64052
   D70        2.57124   0.00137  -0.00480   0.05896   0.05115   2.62238
   D71       -0.48449   0.00204   0.00871   0.02939   0.03562  -0.44887
   D72       -2.97358   0.00411   0.07558  -0.00650   0.06719  -2.90638
   D73        0.08000   0.00430   0.06590   0.02500   0.08738   0.16738
   D74        0.79032  -0.00365  -0.06137  -0.10855  -0.16779   0.62254
   D75        1.00452  -0.00399  -0.10507  -0.11220  -0.21871   0.78581
   D76       -1.04152   0.00028   0.00385  -0.00238   0.00161  -1.03992
   D77        1.07720  -0.00015  -0.00376   0.00111  -0.00268   1.07452
   D78        3.09324  -0.00033  -0.00371   0.00300  -0.00081   3.09243
   D79       -3.12660   0.00053   0.00758  -0.00085   0.00687  -3.11974
   D80       -1.00788   0.00010  -0.00003   0.00264   0.00258  -1.00530
   D81        1.00816  -0.00008   0.00003   0.00453   0.00445   1.01261
   D82        1.06301   0.00024   0.00335  -0.00320   0.00029   1.06330
   D83       -3.10145  -0.00019  -0.00426   0.00029  -0.00400  -3.10545
   D84       -1.08541  -0.00037  -0.00420   0.00218  -0.00212  -1.08754
   D85        0.72773  -0.00059  -0.01624  -0.00421  -0.02103   0.70671
   D86       -2.46256  -0.00253  -0.05505  -0.03590  -0.09131  -2.55387
   D87       -1.38281  -0.00027  -0.00767  -0.01219  -0.02018  -1.40299
   D88        1.71009  -0.00221  -0.04649  -0.04387  -0.09046   1.61963
   D89        2.88243  -0.00007  -0.00683  -0.01646  -0.02354   2.85889
   D90       -0.30786  -0.00201  -0.04564  -0.04814  -0.09382  -0.40169
   D91        3.05532  -0.00268  -0.06081   0.02338  -0.03718   3.01814
   D92        0.01736  -0.00017  -0.00509  -0.00466  -0.01001   0.00735
   D93       -0.04394  -0.00102  -0.02716   0.05112   0.02388  -0.02006
   D94       -3.08190   0.00149   0.02856   0.02308   0.05105  -3.03085
   D95       -3.07383   0.00217   0.04907  -0.01206   0.03798  -3.03585
   D96        0.01074   0.00122   0.02187   0.00746   0.02970   0.04044
   D97        0.03085   0.00066   0.01930  -0.03586  -0.01638   0.01447
   D98        3.11542  -0.00028  -0.00790  -0.01633  -0.02466   3.09076
   D99        0.04037   0.00111   0.02495  -0.04653  -0.02197   0.01840
   D100       2.78651   0.00462   0.09038   0.04607   0.13525   2.92176
   D101       3.08525  -0.00119  -0.02743  -0.01941  -0.04682   3.03843
   D102      -0.45180   0.00232   0.03800   0.07320   0.11040  -0.34140
   D103      -0.00689  -0.00001  -0.00443   0.00823   0.00335  -0.00355
   D104       3.08561  -0.00083  -0.02722   0.01085  -0.01718   3.06843
   D105      -3.09127   0.00094   0.02280  -0.01118   0.01177  -3.07950
   D106       0.00124   0.00012   0.00001  -0.00856  -0.00876  -0.00752
   D107      -0.01973  -0.00068  -0.01214   0.02233   0.01086  -0.00887
   D108      -2.82101  -0.00228  -0.05819  -0.05552  -0.11627  -2.93728
   D109      -3.11170   0.00014   0.01121   0.01918   0.03149  -3.08021
   D110       0.37021  -0.00145  -0.03483  -0.05868  -0.09564   0.27457
   D111      -0.60646  -0.00327  -0.06125  -0.09259  -0.15104  -0.75751
   D112      -2.07509  -0.00221  -0.05630  -0.08574  -0.14301  -2.21809
   D113       0.87495  -0.00363  -0.07615  -0.09317  -0.17113   0.70381
   D114       2.72312  -0.00625  -0.09490  -0.09144  -0.18561   2.53751
   D115       1.79809  -0.00193  -0.02195  -0.02414  -0.04830   1.74980
   D116       2.09131   0.00099   0.00900   0.01207   0.02370   2.11501
   D117       0.62269   0.00206   0.01395   0.01893   0.03174   0.65442
   D118      -2.71046   0.00063  -0.00590   0.01150   0.00361  -2.70686
   D119      -0.86229  -0.00199  -0.02465   0.01322  -0.01086  -0.87316
   D120      -1.78732   0.00233   0.04830   0.08052   0.12645  -1.66087
   D121      -1.05155  -0.00006   0.00098   0.00108   0.00214  -1.04941
   D122       3.11066   0.00000   0.00016  -0.00115  -0.00110   3.10956
   D123       1.08489   0.00019   0.00222  -0.00415  -0.00191   1.08299
   D124       1.05803  -0.00004   0.00078   0.00168   0.00254   1.06058
   D125      -1.06294   0.00003  -0.00004  -0.00055  -0.00070  -1.06363
   D126      -3.08871   0.00022   0.00202  -0.00355  -0.00151  -3.09021
   D127      -3.13623  -0.00026  -0.00297   0.00074  -0.00215  -3.13838
   D128       1.02599  -0.00020  -0.00379  -0.00149  -0.00539   1.02059
   D129      -0.99978  -0.00001  -0.00174  -0.00449  -0.00620  -1.00598
   D130      -0.09249   0.00027   0.00042  -0.00259  -0.00233  -0.09482
   D131       3.06337   0.00102   0.01731   0.00039   0.01728   3.08065
   D132       2.02153   0.00022   0.00054   0.00297   0.00363   2.02516
   D133      -1.10579   0.00096   0.01743   0.00596   0.02324  -1.08255
   D134      -2.22687   0.00000  -0.00032   0.00364   0.00328  -2.22359
   D135       0.92899   0.00074   0.01656   0.00663   0.02289   0.95189
   D136      -3.11493   0.00091   0.01179  -0.01620  -0.00449  -3.11942
   D137       0.02217  -0.00024  -0.00568  -0.00769  -0.01300   0.00917
   D138       0.01444   0.00025  -0.00267  -0.01882  -0.02149  -0.00704
   D139      -3.13164  -0.00089  -0.02014  -0.01031  -0.02999   3.12155
   D140       3.12153  -0.00077  -0.01140   0.01215   0.00117   3.12270
   D141       0.00681  -0.00002   0.00346   0.00642   0.01023   0.01705
   D142      -0.00896  -0.00021   0.00171   0.01447   0.01624   0.00728
   D143      -3.12368   0.00054   0.01658   0.00873   0.02530  -3.09838
   D144      -0.01477  -0.00022   0.00264   0.01631   0.01907   0.00431
   D145      -2.90445  -0.00195  -0.03135  -0.01359  -0.04306  -2.94751
   D146       3.13091   0.00081   0.01855   0.00854   0.02668  -3.12560
   D147       0.24123  -0.00091  -0.01543  -0.02135  -0.03546   0.20577
   D148       0.00008   0.00007  -0.00013  -0.00491  -0.00499  -0.00491
   D149      -3.11902   0.00131   0.02908   0.00426   0.03358  -3.08545
   D150       3.11481  -0.00068  -0.01504   0.00085  -0.01410   3.10071
   D151      -0.00429   0.00056   0.01418   0.01003   0.02447   0.02017
   D152       0.00879   0.00010  -0.00149  -0.00672  -0.00838   0.00042
   D153       2.88594   0.00152   0.02532   0.02407   0.05084   2.93678
   D154       3.12796  -0.00114  -0.03067  -0.01575  -0.04698   3.08098
   D155      -0.27808   0.00028  -0.00387   0.01504   0.01224  -0.26585
   D156      -0.93608  -0.00041  -0.02143  -0.03602  -0.05675  -0.99283
   D157       0.60173  -0.00005  -0.02635  -0.01737  -0.04292   0.55881
   D158      -2.00311   0.00087   0.01820   0.00339   0.01988  -1.98323
   D159       1.93581   0.00439   0.03815  -0.01550   0.02096   1.95677
   D160      -2.72828  -0.00232  -0.03069  -0.03773  -0.06856  -2.79684
   D161       2.51169  -0.00235  -0.05652  -0.07358  -0.12921   2.38248
   D162      -2.23368  -0.00200  -0.06145  -0.05493  -0.11538  -2.34906
   D163       1.44467  -0.00108  -0.01689  -0.03417  -0.05258   1.39209
   D164      -0.89960   0.00244   0.00306  -0.05305  -0.05150  -0.95110
   D165       0.71950  -0.00427  -0.06579  -0.07529  -0.14103   0.57847
   D166       1.14193   0.00140   0.03194   0.02536   0.05373   1.19566
   D167      -2.50263   0.00175   0.03634   0.03626   0.06838  -2.43424
   D168      -0.44919   0.00159   0.04707   0.00586   0.05450  -0.39470
   D169       2.18944   0.00194   0.05147   0.01676   0.06915   2.25858
   D170       2.20734  -0.00002  -0.00506  -0.01690  -0.02142   2.18592
   D171      -1.43721   0.00032  -0.00066  -0.00600  -0.00677  -1.44398
   D172      -1.76368  -0.00368  -0.03007   0.00137  -0.02604  -1.78972
   D173       0.87495  -0.00333  -0.02567   0.01227  -0.01138   0.86357
   D174       2.91275   0.00499   0.05704   0.02736   0.08681   2.99956
   D175      -0.73181   0.00533   0.06144   0.03826   0.10146  -0.63034
   D176       2.50960  -0.00197  -0.05487  -0.06053  -0.11907   2.39052
   D177      -3.03422  -0.00187  -0.04549  -0.00738  -0.05338  -3.08760
   D178       1.23598   0.00357   0.03165   0.01561   0.04665   1.28263
   D179      -1.62889   0.00638   0.04868   0.01242   0.06005  -1.56884
   D180      -0.11310  -0.00406  -0.03231  -0.00538  -0.03729  -0.15039
   D181       2.01108  -0.00034   0.02254   0.01727   0.03308   2.04416
   D182      -0.37624  -0.00125  -0.01468  -0.05366  -0.06972  -0.44596
   D183      -2.84753  -0.00061   0.03027   0.00519   0.03526  -2.81227
   D184       0.54280   0.00210   0.05440   0.01858   0.07380   0.61660
   D185      -1.27111   0.00234   0.04240   0.01100   0.05077  -1.22034
   D186       2.68989   0.00149   0.04320   0.04526   0.09264   2.78253
   D187      -0.27600  -0.00055   0.01456   0.05013   0.06822  -0.20778
   D188       2.80311   0.00190   0.05420   0.05606   0.11344   2.91655
   D189      -0.80900   0.00124   0.05490   0.06131   0.11998  -0.68901
   D190       0.86933   0.00065   0.00306   0.00060   0.00399   0.87333
   D191      -2.28369   0.00012  -0.02207  -0.00080  -0.02133  -2.30503
   D192       0.04453   0.00194   0.03032   0.00920   0.04121   0.08575
   D193      -3.04553   0.00099   0.01122  -0.01039   0.00247  -3.04306
   D194      -3.08601   0.00246   0.05459   0.01049   0.06569  -3.02031
   D195       0.10712   0.00151   0.03550  -0.00909   0.02695   0.13406
   D196      -1.06244   0.00030   0.01201  -0.00502   0.00714  -1.05530
   D197       0.97890  -0.00011   0.00385  -0.00173   0.00227   0.98117
   D198       3.10613   0.00050   0.01387  -0.00210   0.01193   3.11806
   D199       2.06881  -0.00029  -0.01062  -0.00631  -0.01709   2.05172
   D200      -2.17303  -0.00070  -0.01879  -0.00301  -0.02196  -2.19500
   D201      -0.04581  -0.00009  -0.00877  -0.00339  -0.01230  -0.05811
   D202      -1.53800   0.00023   0.00701   0.01188   0.02041  -1.51759
   D203       0.49861   0.00107   0.02430   0.01180   0.03653   0.53514
   D204       2.55647   0.00100   0.02044   0.01196   0.03269   2.58917
   D205       1.55179   0.00119   0.02596   0.03197   0.05941   1.61120
   D206      -2.69479   0.00202   0.04325   0.03188   0.07553  -2.61926
   D207      -0.63693   0.00196   0.03940   0.03205   0.07170  -0.56523
   D208       0.45549   0.00334   0.05422   0.01944   0.07345   0.52894
   D209      -2.73908   0.00152   0.03144   0.01698   0.04678  -2.69230
   D210      -1.61101   0.00142   0.03327   0.02508   0.05901  -1.55200
   D211       1.47760  -0.00040   0.01049   0.02262   0.03234   1.50994
   D212       2.61216   0.00260   0.04345   0.02234   0.06666   2.67882
   D213      -0.58241   0.00079   0.02067   0.01989   0.03999  -0.54243
   D214       1.08840  -0.00064  -0.01997   0.00525  -0.01948   1.06892
   D215      -1.99545   0.00132   0.00490   0.00759   0.00916  -1.98629
   D216       0.10539  -0.00031  -0.02175  -0.03136  -0.05301   0.05238
   D217      -3.04136   0.00223   0.03630   0.04858   0.08535  -2.95602
   D218      -3.09214  -0.00208  -0.04533  -0.03325  -0.07904   3.11200
   D219       0.04428   0.00046   0.01272   0.04669   0.05931   0.10360
   D220      -2.02205  -0.00138  -0.03177  -0.03985  -0.07150  -2.09355
   D221       0.06675  -0.00098  -0.02582  -0.03912  -0.06484   0.00191
   D222       2.14997  -0.00146  -0.03140  -0.04188  -0.07315   2.07682
   D223       1.11444   0.00113   0.02555   0.03914   0.06458   1.17902
   D224      -3.07995   0.00153   0.03150   0.03987   0.07124  -3.00871
   D225      -0.99673   0.00105   0.02593   0.03711   0.06293  -0.93380
         Item               Value     Threshold  Converged?
 Maximum Force            0.023774     0.000450     NO 
 RMS     Force            0.002716     0.000300     NO 
 Maximum Displacement     1.120713     0.001800     NO 
 RMS     Displacement     0.211500     0.001200     NO 
 Predicted change in Energy=-1.984323D-02
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.178828    1.792919    3.921007
      2          6           0       -3.312935    0.511905    3.955429
      3          6           0       -2.020849    0.584670    3.173267
      4          6           0       -1.643194    1.136928    1.955011
      5          7           0       -0.847153   -0.006740    3.665638
      6          6           0        0.166077    0.195576    2.759063
      7          7           0       -0.279181    0.893893    1.697150
      8          6           0       -5.351971    0.616470    0.326205
      9          6           0       -5.794689   -0.042122   -0.999966
     10          6           0       -5.206844   -1.458485   -1.203180
     11          6           0       -3.692583   -1.390974   -1.326714
     12          8           0       -3.120860   -0.364557   -1.821332
     13          8           0       -2.993846   -2.411876   -0.825348
     14          6           0       -2.639988    4.529020   -2.331182
     15          6           0       -1.495534    4.087364   -3.270634
     16          6           0       -0.561977    3.075786   -2.656557
     17          6           0       -0.789168    1.971366   -1.852297
     18          7           0        0.813372    3.033473   -2.946745
     19          6           0        1.357348    1.926210   -2.342593
     20          7           0        0.405765    1.255385   -1.674818
     21          6           0        4.438001    3.994221    1.913001
     22          6           0        5.141945    2.629944    2.068854
     23          6           0        4.292076    1.490467    1.576317
     24          6           0        2.986830    1.447627    1.113646
     25          7           0        4.729253    0.153775    1.541422
     26          6           0        3.713342   -0.636781    1.064806
     27          7           0        2.644112    0.123721    0.797742
     28         30           0        0.908456   -0.375964   -0.244682
     29          1           0       -5.089414    1.648500    4.514351
     30          1           0       -4.483358    2.038847    2.897425
     31          1           0       -3.632130    2.650744    4.330345
     32          1           0       -3.916194   -0.332514    3.589864
     33          1           0       -3.069028    0.283150    5.003659
     34          1           0       -2.247214    1.702005    1.263745
     35          1           0       -0.761968   -0.492342    4.549254
     36          1           0        1.168971   -0.169440    2.903823
     37          1           0       -4.273294    0.492305    0.481546
     38          1           0       -5.871827    0.174173    1.187534
     39          1           0       -5.571847    1.692602    0.320020
     40          1           0       -6.890333   -0.094824   -1.055297
     41          1           0       -5.451609    0.579899   -1.835049
     42          1           0       -5.454237   -2.137242   -0.378020
     43          1           0       -5.625673   -1.895426   -2.120522
     44          1           0       -3.252924    3.669980   -2.033673
     45          1           0       -3.293829    5.245430   -2.842380
     46          1           0       -2.250671    5.003316   -1.422221
     47          1           0       -1.940784    3.654151   -4.178628
     48          1           0       -0.922897    4.967233   -3.598315
     49          1           0       -1.734687    1.597403   -1.494406
     50          1           0        1.304658    3.678989   -3.551593
     51          1           0        2.382507    1.611363   -2.451245
     52          1           0        4.200912    4.202490    0.862657
     53          1           0        3.506341    4.027816    2.490266
     54          1           0        5.086511    4.798014    2.278049
     55          1           0        5.392581    2.471834    3.128866
     56          1           0        6.096517    2.646114    1.522401
     57          1           0        2.275152    2.247061    0.994793
     58          1           0        5.635535   -0.175726    1.850279
     59          1           0        3.749804   -1.710073    0.977169
     60          8           0       -0.876903   -1.161366   -0.534223
     61          1           0       -1.470353   -0.438736   -0.863810
     62          1           0       -1.807475   -2.015590   -0.785685
     63          6           0        2.839712   -2.122978   -2.133197
     64          8           0        2.145850   -1.054756   -2.051241
     65          7           0        2.346528   -3.351016   -1.813467
     66          6           0        0.955794   -3.600883   -1.444407
     67          6           0        0.671840   -3.408657    0.059476
     68          8           0        1.340163   -2.564138    0.753232
     69          7           0       -0.370476   -4.109592    0.543294
     70          1           0        0.317604   -2.876089   -1.965868
     71          1           0        0.679397   -4.606449   -1.779287
     72          1           0        2.986920   -4.137011   -1.822149
     73          1           0       -0.866077   -4.741644   -0.077723
     74          6           0       -0.943962   -3.900312    1.880112
     75          1           0       -0.877554   -4.817325    2.477551
     76          1           0       -0.383076   -3.103016    2.370518
     77          1           0       -1.991710   -3.596833    1.781454
     78          6           0        4.266043   -2.072670   -2.648147
     79          1           0        4.254038   -1.684662   -3.672870
     80          1           0        4.845069   -1.368388   -2.040935
     81          1           0        4.764275   -3.047584   -2.649590
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0974938      0.0709741      0.0661613
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4895.7748461538 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33649 LenP2D=  121916.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.45D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.996777    0.077043    0.019622    0.010763 Ang=   9.20 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.93205435     A.U. after   12 cycles
            NFock= 12  Conv=0.80D-08     -V/T= 1.9788
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33649 LenP2D=  121916.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000133911    0.000820250   -0.000310161
      3        6           0.000317300   -0.002364496    0.002231404
      4        6          -0.001283663   -0.001963249   -0.001582839
      5        7           0.000112320    0.000880772    0.000455780
      6        6           0.003070129   -0.002578196   -0.000570030
      7        7          -0.005004701    0.008298070    0.003383595
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000577042   -0.000240166   -0.000697785
     10        6           0.001114246    0.000193153    0.000659587
     11        6           0.003205744   -0.002383715   -0.000211793
     12        8           0.001627973   -0.001384677    0.001442118
     13        8          -0.019687315   -0.007251787   -0.003149977
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000081398   -0.000086053   -0.000558462
     16        6          -0.000564650   -0.000371526   -0.001838062
     17        6          -0.000166321    0.003419329   -0.002198149
     18        7           0.001234125    0.000821946   -0.001726688
     19        6           0.001755449    0.002598455   -0.001695392
     20        7          -0.007939040   -0.005347049    0.010317934
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000208162    0.000134732    0.000059130
     23        6           0.001053902    0.000247151    0.001553942
     24        6          -0.001530334    0.000511858   -0.001673005
     25        7          -0.000547201   -0.000548544    0.000544697
     26        6           0.001455745    0.000882094    0.002745017
     27        7           0.002012430   -0.003139051   -0.005348092
     28       30           0.012942983   -0.005253331   -0.004778578
     29        1          -0.000154579    0.000071005    0.000059206
     30        1          -0.000016908    0.000001673   -0.000124974
     31        1           0.000058153   -0.000014608   -0.000012605
     32        1          -0.000205095   -0.000335059   -0.000373507
     33        1           0.000220481    0.000440321    0.000089466
     34        1          -0.000063771    0.000676269   -0.000330433
     35        1           0.000482500   -0.000226142    0.000269499
     36        1          -0.000019889    0.000021958   -0.000861896
     37        1           0.000467796   -0.000874281   -0.000590502
     38        1          -0.000209752    0.000508784   -0.000069003
     39        1           0.000562419    0.000381866    0.000199049
     40        1           0.000314110   -0.000409886    0.001008384
     41        1           0.000729588    0.000261757   -0.000406495
     42        1           0.000799812   -0.000220509   -0.000234441
     43        1          -0.001235202    0.000601003   -0.000597069
     44        1           0.000191161    0.000038089    0.000041049
     45        1          -0.000029887    0.000073671    0.000139598
     46        1          -0.000067648   -0.000076812   -0.000165665
     47        1          -0.000444509   -0.000359471   -0.000295579
     48        1           0.000151656   -0.000320891    0.000755606
     49        1          -0.000083863   -0.000801286    0.001232074
     50        1           0.000219915   -0.000453251    0.000505278
     51        1           0.000384502   -0.000911736    0.001199271
     52        1          -0.000055469    0.000049189   -0.000027267
     53        1           0.000068777    0.000009729   -0.000039395
     54        1          -0.000012729   -0.000028124    0.000002376
     55        1          -0.000138177   -0.000059169   -0.000135074
     56        1          -0.000051919   -0.000033432   -0.000186583
     57        1          -0.000029896    0.000008419    0.000197159
     58        1          -0.000008608   -0.000242796   -0.000204360
     59        1           0.000185415   -0.000073850   -0.000764160
     60        8           0.009952875    0.013045768   -0.010197625
     61        1          -0.005304718   -0.002104264   -0.002075386
     62        1           0.004883198    0.001287815    0.014945159
     63        6           0.000332986   -0.005420338   -0.003931025
     64        8          -0.003932920    0.008338497    0.008074501
     65        7          -0.002284321    0.001910638    0.000804201
     66        6           0.001545879   -0.000619018    0.000939529
     67        6          -0.001482848   -0.004702641    0.002091974
     68        8           0.000454965    0.001727300   -0.009268843
     69        7          -0.001730876    0.004588867    0.001172816
     70        1           0.000076376   -0.000166954    0.000321478
     71        1           0.000404020    0.000302329    0.000555605
     72        1           0.000921662    0.000181326   -0.001290318
     73        1           0.001231277   -0.000954604   -0.000259329
     74        6           0.001314482   -0.000455400    0.000685960
     75        1          -0.000046742   -0.000113251   -0.000115398
     76        1           0.000085101    0.000172277   -0.000089168
     77        1           0.000042014   -0.000167105   -0.000210932
     78        6           0.000135616   -0.000353014    0.000540014
     79        1          -0.000071639    0.000057769   -0.000163883
     80        1          -0.000239245    0.000105412   -0.000238437
     81        1           0.000032929   -0.000148879    0.000136581
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.019687315 RMS     0.002989098

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.016968332 RMS     0.001493023
 Search for a local minimum.
 Step number   5 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points    4    5
 DE= -2.35D-02 DEPred=-1.98D-02 R= 1.18D+00
 TightC=F SS=  1.41D+00  RLast= 1.01D+00 DXNew= 1.4270D+00 3.0410D+00
 Trust test= 1.18D+00 RLast= 1.01D+00 DXMaxT set to 1.43D+00
 ITU=  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00230   0.00230   0.00230   0.00230   0.00353
     Eigenvalues ---    0.00403   0.00452   0.00528   0.00585   0.00602
     Eigenvalues ---    0.00662   0.00729   0.00755   0.00755   0.00846
     Eigenvalues ---    0.00858   0.01068   0.01139   0.01151   0.01222
     Eigenvalues ---    0.01322   0.01349   0.01356   0.01372   0.01404
     Eigenvalues ---    0.01438   0.01637   0.01658   0.01700   0.01784
     Eigenvalues ---    0.01833   0.01840   0.01857   0.01897   0.01932
     Eigenvalues ---    0.01934   0.02090   0.02114   0.02134   0.02163
     Eigenvalues ---    0.02172   0.02261   0.02284   0.02293   0.02317
     Eigenvalues ---    0.02473   0.02675   0.03117   0.03317   0.03624
     Eigenvalues ---    0.03730   0.03913   0.03927   0.04028   0.04217
     Eigenvalues ---    0.04390   0.04700   0.04822   0.05214   0.05357
     Eigenvalues ---    0.05372   0.05377   0.05397   0.05398   0.05401
     Eigenvalues ---    0.05462   0.05469   0.05526   0.05529   0.05541
     Eigenvalues ---    0.05656   0.06452   0.06644   0.06857   0.06888
     Eigenvalues ---    0.07194   0.07405   0.07520   0.07678   0.08269
     Eigenvalues ---    0.08344   0.08811   0.08898   0.09211   0.09325
     Eigenvalues ---    0.09549   0.09796   0.10067   0.10701   0.11159
     Eigenvalues ---    0.11799   0.12274   0.12524   0.12745   0.12824
     Eigenvalues ---    0.13003   0.13153   0.15230   0.15469   0.15815
     Eigenvalues ---    0.15916   0.15930   0.15956   0.15966   0.15985
     Eigenvalues ---    0.15987   0.15997   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16002   0.16012   0.16105   0.16555   0.16807
     Eigenvalues ---    0.17931   0.18713   0.19347   0.20193   0.20664
     Eigenvalues ---    0.21079   0.21413   0.21972   0.22025   0.22135
     Eigenvalues ---    0.22446   0.22741   0.22810   0.22930   0.23424
     Eigenvalues ---    0.23472   0.23634   0.24533   0.24645   0.24826
     Eigenvalues ---    0.24950   0.25018   0.26408   0.26988   0.27458
     Eigenvalues ---    0.27656   0.27953   0.28167   0.28328   0.30146
     Eigenvalues ---    0.30649   0.31280   0.31563   0.31712   0.32633
     Eigenvalues ---    0.33566   0.33611   0.33618   0.33652   0.33663
     Eigenvalues ---    0.33712   0.33780   0.33808   0.33870   0.33900
     Eigenvalues ---    0.33925   0.33929   0.33946   0.33983   0.33985
     Eigenvalues ---    0.33992   0.34011   0.34046   0.34073   0.34074
     Eigenvalues ---    0.34096   0.34130   0.34167   0.34177   0.34181
     Eigenvalues ---    0.34211   0.34247   0.34256   0.34301   0.34610
     Eigenvalues ---    0.35463   0.35659   0.35746   0.35999   0.36221
     Eigenvalues ---    0.36323   0.36334   0.36421   0.38466   0.39212
     Eigenvalues ---    0.39429   0.41687   0.42370   0.42510   0.45017
     Eigenvalues ---    0.45182   0.45294   0.45463   0.45476   0.45582
     Eigenvalues ---    0.45590   0.45638   0.47161   0.48933   0.49049
     Eigenvalues ---    0.49175   0.49616   0.49837   0.52282   0.54318
     Eigenvalues ---    0.54797   0.54848   0.55234   0.71149   0.73390
     Eigenvalues ---    0.760661000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 RFO step:  Lambda=-9.33014662D-03 EMin= 2.29590022D-03
 Quartic linear search produced a step of  0.72762.
 Iteration  1 RMS(Cart)=  0.20196384 RMS(Int)=  0.00892276
 Iteration  2 RMS(Cart)=  0.03232067 RMS(Int)=  0.00217031
 Iteration  3 RMS(Cart)=  0.00070224 RMS(Int)=  0.00216555
 New curvilinear step failed, DQL= 2.07D-05 SP=-1.38D-02.
 ITry= 1 IFail=1 DXMaxC= 1.11D+00 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.19729398 RMS(Int)=  0.00835373
 Iteration  2 RMS(Cart)=  0.03036168 RMS(Int)=  0.00211151
 Iteration  3 RMS(Cart)=  0.00063116 RMS(Int)=  0.00210776
 New curvilinear step failed, DQL= 1.78D-05 SP=-1.49D-02.
 ITry= 2 IFail=1 DXMaxC= 1.08D+00 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.19272003 RMS(Int)=  0.00781492
 Iteration  2 RMS(Cart)=  0.02844833 RMS(Int)=  0.00205465
 Iteration  3 RMS(Cart)=  0.00056688 RMS(Int)=  0.00205174
 New curvilinear step failed, DQL= 1.53D-05 SP=-1.64D-02.
 ITry= 3 IFail=1 DXMaxC= 1.06D+00 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.18825195 RMS(Int)=  0.00730805
 Iteration  2 RMS(Cart)=  0.02658286 RMS(Int)=  0.00199970
 Iteration  3 RMS(Cart)=  0.00050392 RMS(Int)=  0.00199745
 New curvilinear step failed, DQL= 1.70D-05 SP=-1.60D-02.
 ITry= 4 IFail=1 DXMaxC= 1.03D+00 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.18390044 RMS(Int)=  0.00683524
 Iteration  2 RMS(Cart)=  0.02476868 RMS(Int)=  0.00194661
 Iteration  3 RMS(Cart)=  0.00044583 RMS(Int)=  0.00194489
 New curvilinear step failed, DQL= 3.86D-05 SP=-7.41D-03.
 ITry= 5 IFail=1 DXMaxC= 1.01D+00 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.17967694 RMS(Int)=  0.00639880
 Iteration  2 RMS(Cart)=  0.02301036 RMS(Int)=  0.00189531
 Iteration  3 RMS(Cart)=  0.00039232 RMS(Int)=  0.00189401
 New curvilinear step failed, DQL= 6.48D-05 SP=-4.53D-03.
 ITry= 6 IFail=1 DXMaxC= 9.85D-01 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.17519511 RMS(Int)=  0.00595902
 Iteration  2 RMS(Cart)=  0.02170884 RMS(Int)=  0.00184578
 Iteration  3 RMS(Cart)=  0.00034482 RMS(Int)=  0.00184480
 New curvilinear step failed, DQL= 8.18D-05 SP=-3.54D-03.
 ITry= 7 IFail=1 DXMaxC= 9.64D-01 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.17080814 RMS(Int)=  0.00553933
 Iteration  2 RMS(Cart)=  0.02049459 RMS(Int)=  0.00179797
 Iteration  3 RMS(Cart)=  0.00030059 RMS(Int)=  0.00179725
 New curvilinear step failed, DQL= 9.79D-05 SP=-2.80D-03.
 ITry= 8 IFail=1 DXMaxC= 9.49D-01 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.16658346 RMS(Int)=  0.00514446
 Iteration  2 RMS(Cart)=  0.01931228 RMS(Int)=  0.00175186
 Iteration  3 RMS(Cart)=  0.00025957 RMS(Int)=  0.00175133
 New curvilinear step failed, DQL= 1.13D-04 SP=-2.22D-03.
 ITry= 9 IFail=1 DXMaxC= 9.33D-01 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.16253652 RMS(Int)=  0.00477440
 Iteration  2 RMS(Cart)=  0.01816143 RMS(Int)=  0.00170741
 Iteration  3 RMS(Cart)=  0.00022130 RMS(Int)=  0.00170703
 New curvilinear step failed, DQL= 1.30D-04 SP=-1.74D-03.
 ITry=10 IFail=1 DXMaxC= 9.18D-01 DCOld= 1.00D+10 DXMaxT= 1.43D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.04267957 RMS(Int)=  0.03961340 XScale=  4.98208892
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.04278878 RMS(Int)=  0.02967208 XScale=  2.48143685
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.04327471 RMS(Int)=  0.01986326 XScale=  1.64899166
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.04464031 RMS(Int)=  0.01056157 XScale=  1.23495469
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.04904951 RMS(Int)=  0.00401744 XScale=  0.99051129
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00980990 RMS(Int)=  0.00871726 XScale=  1.17731046
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.01006538 RMS(Int)=  0.00690154 XScale=  1.12510997
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.01042584 RMS(Int)=  0.00512867 XScale=  1.07774298
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.01099457 RMS(Int)=  0.00345574 XScale=  1.03479932
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.01218747 RMS(Int)=  0.00227227 XScale=  0.99638549
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00243749 RMS(Int)=  0.00310573 XScale=  1.02698469
 RedQX1 iteration     3 Try  2 RMS(Cart)=  0.00248874 RMS(Int)=  0.00277829 XScale=  1.01938154
 RedQX1 iteration     3 Try  3 RMS(Cart)=  0.00255492 RMS(Int)=  0.00248880 XScale=  1.01203249
 RedQX1 iteration     3 Try  4 RMS(Cart)=  0.00264965 RMS(Int)=  0.00226408 XScale=  1.00503872
 RedQX1 iteration     3 Try  5 RMS(Cart)=  0.00282748 RMS(Int)=  0.00215415 XScale=  0.99876145
 RedQX1 iteration     4 Try  1 RMS(Cart)=  0.00056550 RMS(Int)=  0.00222666 XScale=  1.00378943
 RedQX1 iteration     4 Try  2 RMS(Cart)=  0.00057150 RMS(Int)=  0.00219534 XScale=  1.00258472
 RedQX1 iteration     4 Try  3 RMS(Cart)=  0.00057880 RMS(Int)=  0.00217094 XScale=  1.00144274
 RedQX1 iteration     4 Try  4 RMS(Cart)=  0.00058844 RMS(Int)=  0.00215454 XScale=  1.00040192
 RedQX1 iteration     4 Try  5 RMS(Cart)=  0.00060502 RMS(Int)=  0.00214786 XScale=  0.99958563
 RedQX1 iteration     4 Try  6 RMS(Cart)=  0.00007779 RMS(Int)=  0.00214712 XScale=  0.99985611
 RedQX1 iteration     5 Try  1 RMS(Cart)=  0.00000410 RMS(Int)=  0.00214711 XScale=  0.99986282
 RedQX1 iteration     5 Try  2 RMS(Cart)=  0.00000410 RMS(Int)=  0.00214711 XScale=  0.99986916
 RedQX1 iteration     5 Try  3 RMS(Cart)=  0.00000410 RMS(Int)=  0.00214710 XScale=  0.99987498
 RedQX1 iteration     5 Try  4 RMS(Cart)=  0.00000409 RMS(Int)=  0.00214710 XScale=  0.99987993
 RedQX1 iteration     5 Try  5 RMS(Cart)=  0.00000407 RMS(Int)=  0.00214710 XScale=  0.99988300
 RedQX1 iteration     5 Try  6 RMS(Cart)=  0.00000067 RMS(Int)=  0.00214710 XScale=  0.99988080
 RedQX1 iteration     6 Try  1 RMS(Cart)=  0.00000003 RMS(Int)=  0.00214710 XScale=  0.99988076
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00010657 RMS(Int)=  0.00014273 XScale=  5.11365835
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00010643 RMS(Int)=  0.00011064 XScale=  2.56057883
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00010626 RMS(Int)=  0.00008023 XScale=  1.70960955
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00010607 RMS(Int)=  0.00005416 XScale=  1.28411370
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00010594 RMS(Int)=  0.00004154 XScale=  1.02858629
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000728 RMS(Int)=  0.00004145 XScale=  1.02877145
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48444   0.00009  -0.00008   0.00000  -0.00004   8.48439
    Y1       -0.92760   0.00011   0.00002   0.00000   0.00001  -0.92759
    Z1        7.47496  -0.00042  -0.00004   0.00000  -0.00002   7.47494
    X8       10.19814   0.00085   0.00010   0.00000   0.00005  10.19820
    Y8        1.20621   0.00068  -0.00002   0.00000  -0.00001   1.20620
    Z8        0.50971  -0.00015   0.00003   0.00000   0.00002   0.50973
   X14        7.21034  -0.00044  -0.00005   0.00000  -0.00002   7.21032
   Y14       -7.64138  -0.00054   0.00003   0.00000   0.00001  -7.64137
   Z14       -3.84249   0.00035  -0.00001   0.00000  -0.00001  -3.84250
   X21       -6.13875   0.00000   0.00002   0.00000   0.00001  -6.13874
   Y21       -9.38869  -0.00015  -0.00003   0.00000  -0.00001  -9.38870
   Z21        4.09469  -0.00003   0.00002   0.00000   0.00001   4.09470
    R1        2.92264  -0.00010   0.00283  -0.00210   0.00242   2.92506
    R2        2.07189  -0.00006  -0.00007  -0.00026  -0.00033   2.07155
    R3        2.07090   0.00011   0.00070   0.00016   0.00086   2.07177
    R4        2.07207  -0.00001  -0.00004  -0.00006  -0.00010   2.07197
    R5        2.85752  -0.00012   0.00147  -0.00113   0.00178   2.85930
    R6        2.07922  -0.00021  -0.00022  -0.00083  -0.00106   2.07816
    R7        2.07922   0.00012   0.00124  -0.00014   0.00110   2.08031
    R8        2.62649   0.00069  -0.00228   0.00396   0.00134   2.62783
    R9        2.65219  -0.00108   0.00965  -0.00693   0.00282   2.65501
   R10        2.66317  -0.00064  -0.00159  -0.00388  -0.00431   2.65885
   R11        2.03705  -0.00013   0.00109  -0.00134  -0.00025   2.03680
   R12        2.59756   0.00068  -0.00030   0.00402   0.00449   2.60205
   R13        1.91212   0.00000   0.00006   0.00002   0.00008   1.91220
   R14        2.54487  -0.00237  -0.00415  -0.00621  -0.00996   2.53491
   R15        2.03529  -0.00007   0.00688  -0.00498   0.00191   2.03719
   R16        4.92553  -0.00040   0.01899  -0.01783   0.00268   4.92821
   R17        2.92051   0.00000  -0.00150   0.00123  -0.00069   2.91982
   R18        2.07276  -0.00043  -0.00099  -0.00148  -0.00247   2.07028
   R19        2.07678   0.00017   0.00033   0.00065   0.00099   2.07777
   R20        2.07564  -0.00008   0.00062  -0.00082  -0.00019   2.07545
   R21        2.92324   0.00099  -0.00626   0.00829   0.00069   2.92393
   R22        2.07550   0.00012  -0.00145   0.00128  -0.00016   2.07533
   R23        2.07180   0.00000   0.00295  -0.00137   0.00159   2.07338
   R24        2.87388   0.00087   0.00184   0.00338   0.00298   2.87686
   R25        2.07251  -0.00028  -0.00199  -0.00004  -0.00203   2.07048
   R26        2.07685   0.00041   0.00155   0.00118   0.00272   2.07958
   R27        2.40897  -0.00034  -0.03806   0.02653  -0.00965   2.39932
   R28        2.52251   0.00613   0.03920  -0.01229   0.02730   2.54981
   R29        3.60860  -0.00057   0.06404  -0.01142   0.05291   3.66151
   R30        2.36487  -0.01697   0.00866  -0.06084  -0.05513   2.30974
   R31        2.91986   0.00019   0.00020  -0.00052   0.00139   2.92124
   R32        2.07195   0.00011  -0.00011   0.00051   0.00040   2.07235
   R33        2.07188  -0.00012  -0.00033  -0.00027  -0.00060   2.07128
   R34        2.07245  -0.00009  -0.00060  -0.00010  -0.00069   2.07175
   R35        2.84836   0.00038  -0.00448   0.00153  -0.00224   2.84612
   R36        2.07902  -0.00003   0.00043  -0.00039   0.00004   2.07906
   R37        2.07823   0.00008  -0.00027   0.00052   0.00025   2.07848
   R38        2.61725   0.00090   0.00373   0.00167   0.00326   2.62051
   R39        2.65746  -0.00158   0.00375  -0.00810  -0.00426   2.65320
   R40        2.65370   0.00015  -0.00959   0.00403  -0.00514   2.64856
   R41        2.03700  -0.00016   0.00534  -0.00465   0.00069   2.03769
   R42        2.59584   0.00087   0.00122   0.00188   0.00452   2.60036
   R43        1.91217   0.00002   0.00006   0.00003   0.00009   1.91226
   R44        2.53635  -0.00120  -0.01149   0.00234  -0.00831   2.52804
   R45        2.03695  -0.00056   0.00451  -0.00569  -0.00118   2.03577
   R46        4.20832  -0.00430  -0.00418  -0.05710  -0.06141   4.14691
   R47        2.91599  -0.00013   0.00125   0.00018   0.00045   2.91643
   R48        2.07251   0.00000  -0.00024   0.00017  -0.00007   2.07245
   R49        2.07212   0.00004  -0.00001   0.00028   0.00026   2.07238
   R50        2.07001   0.00003   0.00013   0.00000   0.00013   2.07014
   R51        2.84294  -0.00016   0.00373  -0.00462  -0.00090   2.84204
   R52        2.07994  -0.00010   0.00012  -0.00053  -0.00040   2.07953
   R53        2.07877   0.00014  -0.00023   0.00084   0.00061   2.07937
   R54        2.61819  -0.00018   0.00368  -0.00567  -0.00053   2.61766
   R55        2.65847  -0.00050   0.00200  -0.00141  -0.00028   2.65819
   R56        2.65234  -0.00046   0.00121  -0.00497  -0.00295   2.64939
   R57        2.03504  -0.00004  -0.00045   0.00005  -0.00040   2.03464
   R58        2.59397   0.00064  -0.00211   0.00518   0.00194   2.59591
   R59        1.91349  -0.00008  -0.00001  -0.00021  -0.00023   1.91327
   R60        2.53036  -0.00039  -0.00307   0.00075  -0.00219   2.52816
   R61        2.03614   0.00001   0.00239  -0.00119   0.00120   2.03734
   R62        3.94081  -0.00249  -0.05217  -0.01177  -0.06339   3.87742
   R63        3.72626  -0.00287  -0.02860   0.00005  -0.03023   3.69603
   R64        4.33220  -0.00179   0.02281  -0.02737  -0.00296   4.32924
   R65        4.61740  -0.00090   0.00742  -0.01382  -0.00659   4.61080
   R66        1.87360  -0.00175  -0.00137  -0.00446  -0.00718   1.86641
   R67        2.43393  -0.01492  -0.00112  -0.05536  -0.05935   2.37458
   R68        2.41209  -0.00350  -0.01044   0.00171  -0.00748   2.40461
   R69        2.57276   0.00134  -0.00709   0.00981   0.00180   2.57456
   R70        2.86723   0.00014  -0.00343   0.00136  -0.00207   2.86517
   R71        2.75976   0.00194  -0.00109   0.00535   0.00201   2.76177
   R72        1.91597  -0.00054   0.00083  -0.00223  -0.00140   1.91457
   R73        2.91487  -0.00117  -0.01238   0.00075  -0.01253   2.90234
   R74        2.07400   0.00001   0.00570  -0.00516   0.00055   2.07455
   R75        2.06983   0.00007   0.00022   0.00024   0.00046   2.07029
   R76        2.42089  -0.00399  -0.00269  -0.00655  -0.00835   2.41254
   R77        2.54364   0.00315  -0.00153   0.01147   0.00995   2.55358
   R78        1.91858  -0.00007   0.00131  -0.00122   0.00010   1.91868
   R79        2.77717   0.00078   0.00430   0.00016   0.00446   2.78163
   R80        2.07204  -0.00014  -0.00089  -0.00011  -0.00100   2.07104
   R81        2.06212  -0.00021   0.00074  -0.00151  -0.00077   2.06134
   R82        2.06975   0.00006   0.00005   0.00034   0.00040   2.07015
   R83        2.07074   0.00012   0.00017   0.00044   0.00061   2.07135
   R84        2.07008  -0.00013   0.00044  -0.00079  -0.00035   2.06973
   R85        2.06896  -0.00014  -0.00027  -0.00056  -0.00083   2.06814
    A1        1.92180  -0.00022  -0.00084  -0.00189  -0.00273   1.91907
    A2        1.94147  -0.00006   0.00104  -0.00102   0.00003   1.94150
    A3        1.93964   0.00013  -0.00117   0.00176   0.00059   1.94023
    A4        1.87994   0.00014  -0.00212   0.00254   0.00041   1.88035
    A5        1.89137   0.00002   0.00374  -0.00200   0.00174   1.89311
    A6        1.88775  -0.00001  -0.00060   0.00064   0.00004   1.88779
    A7        2.01200   0.00033   0.01175  -0.00435   0.00892   2.02092
    A8        1.89791   0.00021  -0.00071  -0.00038  -0.00172   1.89619
    A9        1.89391  -0.00032  -0.00361   0.00220  -0.00183   1.89208
   A10        1.91088  -0.00050   0.00984  -0.01266  -0.00341   1.90747
   A11        1.88954   0.00023  -0.01425   0.01409  -0.00058   1.88896
   A12        1.85304   0.00003  -0.00425   0.00179  -0.00224   1.85081
   A13        2.35277   0.00074   0.01473  -0.00694   0.00721   2.35998
   A14        2.10928  -0.00017  -0.01527   0.00901  -0.00606   2.10322
   A15        1.82111  -0.00057   0.00081  -0.00222  -0.00260   1.81850
   A16        1.93354   0.00083  -0.00684   0.00638   0.00148   1.93503
   A17        2.23715  -0.00042   0.00988  -0.00646   0.00241   2.23956
   A18        2.11227  -0.00040  -0.00308   0.00036  -0.00372   2.10855
   A19        1.89973  -0.00074   0.00167  -0.00448  -0.00240   1.89733
   A20        2.18829  -0.00011  -0.00206  -0.00196  -0.00425   2.18404
   A21        2.19509   0.00085   0.00035   0.00646   0.00658   2.20168
   A22        1.93122   0.00148  -0.00801   0.00880   0.00145   1.93267
   A23        2.15060  -0.00001   0.00813  -0.00025   0.00753   2.15813
   A24        2.20136  -0.00147  -0.00005  -0.00858  -0.00898   2.19238
   A25        1.83916  -0.00100   0.01238  -0.00847   0.00208   1.84124
   A26        2.29340   0.00032   0.00101   0.00279   0.00057   2.29397
   A27        1.75603   0.00191   0.04195   0.01752   0.05935   1.81538
   A28        1.93371  -0.00003  -0.00046   0.00072   0.00025   1.93396
   A29        1.94499  -0.00038   0.00318  -0.00482  -0.00165   1.94335
   A30        1.93407  -0.00007  -0.00074  -0.00129  -0.00204   1.93203
   A31        1.88456   0.00040   0.00208   0.00471   0.00679   1.89135
   A32        1.88449  -0.00002  -0.00236   0.00020  -0.00216   1.88232
   A33        1.87971   0.00012  -0.00181   0.00076  -0.00106   1.87866
   A34        1.97583   0.00067   0.00351   0.00338   0.00428   1.98011
   A35        1.92778  -0.00039   0.00118  -0.01023  -0.00755   1.92023
   A36        1.89884  -0.00041  -0.00508   0.00360  -0.00160   1.89724
   A37        1.90555  -0.00026   0.00403  -0.00718  -0.00237   1.90318
   A38        1.87601   0.00038  -0.00679   0.01592   0.00988   1.88589
   A39        1.87656   0.00000   0.00293  -0.00514  -0.00258   1.87398
   A40        1.92667   0.00162   0.01282   0.00886   0.01510   1.94176
   A41        1.96287  -0.00042   0.01160  -0.01111   0.00244   1.96531
   A42        1.90588   0.00005  -0.00639   0.00967   0.00482   1.91070
   A43        1.88935  -0.00062  -0.00273  -0.00337  -0.00506   1.88430
   A44        1.90636  -0.00078  -0.00756  -0.00437  -0.00922   1.89714
   A45        1.87129   0.00008  -0.00854  -0.00002  -0.00947   1.86182
   A46        2.11043   0.00109   0.03140  -0.01374   0.01644   2.12687
   A47        2.04513   0.00030  -0.04762   0.02318  -0.02048   2.02465
   A48        2.12559  -0.00138   0.01712  -0.00929   0.00477   2.13036
   A49        1.73332  -0.00511   0.02349  -0.01472   0.00101   1.73433
   A50        1.83999   0.00296  -0.01513   0.04437   0.01379   1.85378
   A51        1.93381   0.00024  -0.00308   0.00437   0.00129   1.93510
   A52        1.92304   0.00013  -0.00052   0.00188   0.00135   1.92439
   A53        1.94401  -0.00025   0.00081  -0.00339  -0.00258   1.94144
   A54        1.88083  -0.00016  -0.00123  -0.00053  -0.00176   1.87906
   A55        1.88851   0.00005   0.00046   0.00074   0.00121   1.88972
   A56        1.89183  -0.00002   0.00366  -0.00317   0.00049   1.89233
   A57        1.98546   0.00030  -0.01245  -0.00056  -0.01294   1.97252
   A58        1.89083  -0.00014   0.00552   0.00168   0.00687   1.89770
   A59        1.91574  -0.00009   0.00092  -0.00311  -0.00190   1.91385
   A60        1.89931  -0.00011   0.00082   0.00286   0.00369   1.90300
   A61        1.91328  -0.00007   0.00765  -0.00368   0.00388   1.91716
   A62        1.85444   0.00010  -0.00183   0.00323   0.00138   1.85582
   A63        2.30521   0.00071  -0.00883   0.00906  -0.00224   2.30297
   A64        2.14346  -0.00020   0.00159  -0.00203   0.00215   2.14561
   A65        1.82996  -0.00051   0.00447  -0.00325  -0.00007   1.82989
   A66        1.91812   0.00069  -0.01412   0.00958  -0.00153   1.91659
   A67        2.23107  -0.00050   0.00749  -0.00588   0.00019   2.23127
   A68        2.12651  -0.00023   0.00459  -0.00067   0.00219   2.12870
   A69        1.89737  -0.00001  -0.00019  -0.00110  -0.00136   1.89601
   A70        2.18830  -0.00025  -0.00094  -0.00152  -0.00251   2.18578
   A71        2.19549   0.00027   0.00078   0.00380   0.00457   2.20006
   A72        1.91871   0.00082  -0.01014   0.00917  -0.00041   1.91830
   A73        2.17455  -0.00066   0.00561  -0.00705  -0.00192   2.17264
   A74        2.18763  -0.00015   0.00369  -0.00052   0.00285   2.19048
   A75        1.86041  -0.00100   0.02059  -0.01470   0.00341   1.86383
   A76        2.27410  -0.00143  -0.01310   0.00785  -0.01988   2.25422
   A77        2.12422   0.00279   0.02267   0.01473   0.03747   2.16169
   A78        1.94255  -0.00014   0.00071  -0.00204  -0.00133   1.94122
   A79        1.94070   0.00007  -0.00102   0.00153   0.00051   1.94121
   A80        1.92306   0.00002  -0.00131   0.00080  -0.00051   1.92255
   A81        1.89093   0.00001   0.00039  -0.00056  -0.00017   1.89076
   A82        1.88367   0.00004   0.00282  -0.00126   0.00156   1.88523
   A83        1.88083   0.00000  -0.00152   0.00155   0.00002   1.88086
   A84        1.95938  -0.00030   0.00801  -0.01385  -0.00506   1.95432
   A85        1.90515   0.00013   0.00067   0.00500   0.00567   1.91082
   A86        1.90996   0.00007  -0.00554   0.00254  -0.00345   1.90651
   A87        1.91255   0.00015  -0.00266   0.00601   0.00309   1.91564
   A88        1.91634   0.00003  -0.00352   0.00126  -0.00251   1.91384
   A89        1.85764  -0.00005   0.00276  -0.00019   0.00267   1.86031
   A90        2.29822   0.00046   0.00623  -0.00783   0.00035   2.29857
   A91        2.15585  -0.00035  -0.00717   0.00937  -0.00011   2.15574
   A92        1.82875  -0.00010   0.00072  -0.00078   0.00007   1.82882
   A93        1.91173   0.00059  -0.00597   0.00709   0.00047   1.91220
   A94        2.26073  -0.00039   0.00831  -0.00731   0.00130   2.26203
   A95        2.11065  -0.00021  -0.00239   0.00016  -0.00194   2.10872
   A96        1.90270  -0.00035   0.00178  -0.00318  -0.00133   1.90137
   A97        2.18924   0.00002  -0.00164   0.00055  -0.00115   2.18809
   A98        2.19064   0.00034  -0.00034   0.00299   0.00261   2.19325
   A99        1.91043   0.00038  -0.00296   0.00214   0.00001   1.91043
   A100       2.18570   0.00021  -0.00032   0.00436   0.00335   2.18905
   A101       2.18530  -0.00058   0.00217  -0.00494  -0.00343   2.18187
   A102       1.87115  -0.00052   0.00649  -0.00513   0.00078   1.87193
   A103       2.14331   0.00077  -0.01320   0.00117  -0.00930   2.13401
   A104       2.25006  -0.00015   0.01648   0.00441   0.01630   2.26635
   A105       1.58949   0.00076   0.00548   0.01239   0.01209   1.60158
   A106       1.46067  -0.00013  -0.00929  -0.00960  -0.01068   1.44999
   A107       1.46147  -0.00045  -0.01569   0.00358  -0.01844   1.44303
   A108       2.92801   0.00220   0.04907   0.00610   0.05170   2.97971
   A109       1.78497   0.00090   0.01544  -0.00046   0.01992   1.80489
   A110       1.91066  -0.00204  -0.06895  -0.01509  -0.08509   1.82557
   A111       1.56390   0.00231   0.06964   0.00816   0.07677   1.64067
   A112       1.40268   0.00090   0.03884   0.00166   0.03849   1.44117
   A113       2.85139  -0.00203  -0.00960  -0.00020  -0.01234   2.83905
   A114       2.74509  -0.00039  -0.01244   0.00455  -0.00763   2.73746
   A115       1.58642   0.00055  -0.00076  -0.00298   0.00562   1.59204
   A116       1.43375   0.00338   0.06200   0.00261   0.06321   1.49696
   A117       1.82871  -0.00060   0.00889   0.00316   0.00324   1.83195
   A118       1.43361  -0.00307  -0.05205   0.00779  -0.03899   1.39462
   A119       1.53210  -0.00267  -0.06511  -0.01408  -0.07711   1.45498
   A120       1.87597  -0.00401  -0.03053  -0.00653  -0.03250   1.84347
   A121       2.81459  -0.00001   0.03203  -0.02834   0.00784   2.82243
   A122       1.55683   0.00403   0.00317   0.03481   0.02932   1.58615
   A123       2.36364  -0.00145  -0.00088   0.00081  -0.01000   2.35364
   A124       2.69321   0.00247   0.09468  -0.01348   0.07430   2.76751
   A125       2.14466  -0.00352  -0.03020   0.00668  -0.02169   2.12297
   A126       2.10025   0.00163   0.01380  -0.00256   0.01024   2.11048
   A127       2.03773   0.00190   0.01604  -0.00375   0.01128   2.04901
   A128       2.20409   0.00644   0.09850   0.00899   0.10903   2.31312
   A129       2.16355  -0.00168  -0.01638  -0.00772  -0.02589   2.13765
   A130       2.05833   0.00119   0.01128   0.00629   0.01810   2.07643
   A131       2.06124   0.00049   0.00585   0.00140   0.00780   2.06904
   A132       1.98272   0.00147   0.00150   0.00085   0.00303   1.98575
   A133       1.89725   0.00050   0.00455  -0.00496  -0.00100   1.89625
   A134       1.89665  -0.00068  -0.00008   0.00696   0.00699   1.90364
   A135       1.84824  -0.00138   0.00628  -0.01021  -0.00476   1.84348
   A136       1.94555  -0.00023  -0.00762   0.00223  -0.00503   1.94052
   A137       1.89050   0.00030  -0.00443   0.00470   0.00034   1.89084
   A138       2.11076   0.00014   0.01873  -0.01416   0.00658   2.11734
   A139       2.01319  -0.00051  -0.00844   0.00388  -0.00587   2.00732
   A140       2.15629   0.00033  -0.01147   0.01154  -0.00094   2.15534
   A141       1.85149   0.00012   0.04838  -0.00587   0.04050   1.89198
   A142       2.07410  -0.00009   0.00116  -0.00264  -0.00591   2.06819
   A143       2.15914   0.00031  -0.00140   0.00145  -0.00432   2.15482
   A144       2.04268  -0.00035  -0.00503  -0.00243  -0.01180   2.03088
   A145       1.93147  -0.00005  -0.00198   0.00096  -0.00102   1.93045
   A146       1.88838   0.00008  -0.00180   0.00168  -0.00013   1.88825
   A147       1.90797  -0.00031  -0.00420  -0.00143  -0.00564   1.90233
   A148       1.91246   0.00002   0.00584  -0.00270   0.00314   1.91560
   A149       1.91638   0.00022   0.00418   0.00015   0.00433   1.92071
   A150       1.90681   0.00004  -0.00214   0.00137  -0.00079   1.90602
   A151       1.89528   0.00006  -0.00678   0.00441  -0.00238   1.89291
   A152       1.90719   0.00047   0.00192   0.00383   0.00574   1.91293
   A153       1.98091  -0.00010   0.00075  -0.00261  -0.00187   1.97904
   A154       1.87182  -0.00012  -0.00067   0.00054  -0.00013   1.87169
   A155       1.89553  -0.00005   0.00066  -0.00110  -0.00045   1.89508
   A156       1.90994  -0.00026   0.00397  -0.00486  -0.00089   1.90905
    D1       -3.13923  -0.00016   0.01191  -0.01052   0.00141  -3.13782
    D2        0.99105   0.00010  -0.00859   0.00958   0.00086   0.99192
    D3       -1.01735   0.00012  -0.00124   0.00650   0.00537  -1.01198
    D4        1.06117  -0.00015   0.01444  -0.01181   0.00265   1.06382
    D5       -1.09173   0.00010  -0.00606   0.00829   0.00210  -1.08963
    D6       -3.10014   0.00013   0.00129   0.00521   0.00661  -3.09353
    D7       -1.04332  -0.00019   0.01529  -0.01313   0.00217  -1.04115
    D8        3.08696   0.00007  -0.00521   0.00697   0.00163   3.08859
    D9        1.07855   0.00010   0.00214   0.00389   0.00614   1.08469
   D10       -0.68362  -0.00064  -0.04086  -0.01879  -0.05977  -0.74338
   D11        2.46660  -0.00014  -0.00881   0.00923   0.00033   2.46692
   D12        1.46241  -0.00051  -0.02598  -0.03248  -0.05826   1.40414
   D13       -1.67056  -0.00002   0.00607  -0.00447   0.00183  -1.66873
   D14       -2.80785  -0.00062  -0.03348  -0.02939  -0.06304  -2.87089
   D15        0.34237  -0.00013  -0.00143  -0.00137  -0.00294   0.33942
   D16       -3.13172   0.00049   0.02677   0.02309   0.05019  -3.08153
   D17        0.03240   0.00043   0.02927   0.00859   0.03818   0.07058
   D18        0.00224   0.00005  -0.00133  -0.00169  -0.00323  -0.00099
   D19       -3.11683  -0.00001   0.00117  -0.01618  -0.01524  -3.13207
   D20        3.13174  -0.00022  -0.02416  -0.01733  -0.04042   3.09132
   D21       -0.02150  -0.00041  -0.03038  -0.01559  -0.04548  -0.06697
   D22       -0.00354   0.00014  -0.00032   0.00322   0.00317  -0.00037
   D23        3.12641  -0.00006  -0.00654   0.00496  -0.00188   3.12453
   D24       -0.00010  -0.00021   0.00244  -0.00045   0.00209   0.00199
   D25        2.09098   0.00186   0.08104   0.01934   0.10041   2.19139
   D26        3.12084  -0.00016   0.00032   0.01273   0.01314   3.13398
   D27       -1.07127   0.00192   0.07891   0.03253   0.11147  -0.95981
   D28        0.00372  -0.00027   0.00191  -0.00370  -0.00205   0.00167
   D29       -3.13456  -0.00009  -0.00538   0.00429  -0.00191  -3.13647
   D30       -3.12617  -0.00007   0.00816  -0.00538   0.00316  -3.12301
   D31        0.01873   0.00011   0.00087   0.00261   0.00329   0.02203
   D32       -0.00221   0.00029  -0.00262   0.00253   0.00000  -0.00221
   D33       -2.42010  -0.00069  -0.03386  -0.00677  -0.04277  -2.46287
   D34        3.13595   0.00011   0.00500  -0.00572  -0.00009   3.13586
   D35        0.71806  -0.00087  -0.02624  -0.01502  -0.04286   0.67519
   D36        1.24552  -0.00020  -0.06175  -0.03078  -0.09367   1.15185
   D37       -3.12698  -0.00234  -0.13143  -0.04715  -0.18061   2.97560
   D38       -0.31629  -0.00243  -0.13088  -0.03770  -0.16917  -0.48546
   D39        2.03620   0.00058  -0.00840   0.03261   0.02547   2.06167
   D40       -1.72166   0.00099  -0.07192  -0.04668  -0.12068  -1.84233
   D41       -2.91431   0.00070   0.00338  -0.02149  -0.01815  -2.93246
   D42       -1.00363  -0.00144  -0.06630  -0.03786  -0.10509  -1.10872
   D43        1.80707  -0.00153  -0.06574  -0.02841  -0.09366   1.71341
   D44       -2.12363   0.00148   0.05673   0.04190   0.10099  -2.02265
   D45        0.40170   0.00189  -0.00678  -0.03739  -0.04516   0.35654
   D46        0.79997   0.00084   0.02683   0.06091   0.08739   0.88737
   D47        2.94289   0.00069   0.03544   0.04630   0.08171   3.02460
   D48       -1.28439   0.00021   0.03665   0.03627   0.07329  -1.21110
   D49       -1.29882   0.00060   0.02240   0.05768   0.07973  -1.21909
   D50        0.84409   0.00045   0.03101   0.04308   0.07405   0.91814
   D51        2.90000  -0.00002   0.03221   0.03304   0.06563   2.96563
   D52        2.89145   0.00075   0.02307   0.06079   0.08352   2.97496
   D53       -1.24883   0.00060   0.03168   0.04619   0.07784  -1.17099
   D54        0.80708   0.00013   0.03289   0.03615   0.06941   0.87650
   D55       -1.12465   0.00058   0.06796   0.04050   0.11022  -1.01443
   D56        0.98745   0.00064   0.08089   0.03486   0.11621   1.10366
   D57        3.06248   0.00051   0.07331   0.03431   0.10910  -3.11160
   D58        3.00335   0.00081   0.06105   0.05671   0.11876   3.12211
   D59       -1.16773   0.00087   0.07397   0.05107   0.12475  -1.04298
   D60        0.90730   0.00074   0.06640   0.05052   0.11764   1.02494
   D61        0.97278   0.00074   0.05914   0.05788   0.11768   1.09046
   D62        3.08488   0.00080   0.07207   0.05224   0.12367  -3.07464
   D63       -1.12327   0.00067   0.06449   0.05169   0.11656  -1.00672
   D64       -0.52748   0.00062   0.06322   0.02903   0.09384  -0.43364
   D65        2.54690   0.00068   0.07711   0.03127   0.10729   2.65419
   D66       -2.68283   0.00051   0.04263   0.03942   0.08443  -2.59840
   D67        0.39156   0.00058   0.05652   0.04166   0.09788   0.48944
   D68        1.56828   0.00119   0.05858   0.04368   0.10325   1.67154
   D69       -1.64052   0.00125   0.07248   0.04591   0.11670  -1.52382
   D70        2.62238   0.00177   0.03722   0.03144   0.06464   2.68702
   D71       -0.44887   0.00163   0.02592   0.02785   0.05131  -0.39755
   D72       -2.90638   0.00133   0.04889   0.00139   0.04796  -2.85842
   D73        0.16738   0.00150   0.06358   0.00347   0.06192   0.22930
   D74        0.62254  -0.00250  -0.12209  -0.07708  -0.19282   0.42972
   D75        0.78581  -0.00166  -0.15914  -0.08370  -0.24451   0.54130
   D76       -1.03992   0.00004   0.00117  -0.00309  -0.00175  -1.04166
   D77        1.07452  -0.00001  -0.00195   0.00139  -0.00064   1.07387
   D78        3.09243  -0.00002  -0.00059   0.00449   0.00381   3.09624
   D79       -3.11974  -0.00001   0.00500  -0.00641  -0.00124  -3.12097
   D80       -1.00530  -0.00005   0.00187  -0.00193  -0.00014  -1.00544
   D81        1.01261  -0.00006   0.00324   0.00118   0.00432   1.01693
   D82        1.06330   0.00009   0.00021  -0.00146  -0.00107   1.06223
   D83       -3.10545   0.00004  -0.00291   0.00302   0.00003  -3.10542
   D84       -1.08754   0.00003  -0.00155   0.00613   0.00448  -1.08306
   D85        0.70671  -0.00079  -0.01530  -0.05163  -0.06767   0.63903
   D86       -2.55387  -0.00081  -0.06644  -0.00278  -0.06960  -2.62346
   D87       -1.40299  -0.00073  -0.01468  -0.05546  -0.07051  -1.47350
   D88        1.61963  -0.00074  -0.06582  -0.00661  -0.07244   1.54719
   D89        2.85889  -0.00075  -0.01713  -0.05890  -0.07642   2.78247
   D90       -0.40169  -0.00076  -0.06827  -0.01005  -0.07834  -0.48003
   D91        3.01814  -0.00052  -0.02705   0.02776   0.00115   3.01930
   D92        0.00735  -0.00015  -0.00728   0.00125  -0.00666   0.00069
   D93       -0.02006  -0.00051   0.01738  -0.01459   0.00267  -0.01738
   D94       -3.03085  -0.00014   0.03715  -0.04110  -0.00514  -3.03599
   D95       -3.03585   0.00033   0.02764  -0.02478   0.00341  -3.03244
   D96        0.04044   0.00042   0.02161  -0.00559   0.01593   0.05637
   D97        0.01447   0.00039  -0.01192   0.01345   0.00175   0.01622
   D98        3.09076   0.00048  -0.01794   0.03263   0.01427   3.10504
   D99        0.01840   0.00042  -0.01599   0.01021  -0.00619   0.01221
   D100       2.92176   0.00258   0.09841   0.04927   0.14417   3.06593
   D101       3.03843   0.00005  -0.03407   0.03432   0.00092   3.03935
   D102      -0.34140   0.00221   0.08033   0.07338   0.15129  -0.19011
   D103      -0.00355  -0.00015   0.00244  -0.00770  -0.00580  -0.00935
   D104       3.06843   0.00015  -0.01250   0.01648   0.00282   3.07125
   D105      -3.07950  -0.00021   0.00856  -0.02674  -0.01811  -3.09762
   D106      -0.00752   0.00009  -0.00637  -0.00255  -0.00950  -0.01702
   D107      -0.00887  -0.00016   0.00790  -0.00136   0.00726  -0.00161
   D108      -2.93728  -0.00145  -0.08460  -0.03566  -0.12389  -3.06117
   D109      -3.08021  -0.00044   0.02291  -0.02545  -0.00123  -3.08144
   D110       0.27457  -0.00173  -0.06959  -0.05975  -0.13238   0.14219
   D111      -0.75751  -0.00130  -0.10990  -0.06209  -0.16777  -0.92527
   D112      -2.21809  -0.00148  -0.10405  -0.05659  -0.16114  -2.37923
   D113       0.70381  -0.00172  -0.12452  -0.05846  -0.18426   0.51955
   D114       2.53751  -0.00278  -0.13505  -0.05678  -0.19253   2.34498
   D115       1.74980  -0.00111  -0.03514   0.00471  -0.03357   1.71623
   D116       2.11501   0.00059   0.01725  -0.02145  -0.00004   2.11497
   D117       0.65442   0.00041   0.02309  -0.01595   0.00659   0.66102
   D118      -2.70686   0.00018   0.00263  -0.01781  -0.01653  -2.72339
   D119      -0.87316  -0.00089  -0.00790  -0.01614  -0.02480  -0.89796
   D120      -1.66087   0.00078   0.09201   0.04536   0.13416  -1.52671
   D121      -1.04941   0.00005   0.00156   0.00098   0.00263  -1.04678
   D122       3.10956  -0.00002  -0.00080  -0.00095  -0.00187   3.10770
   D123       1.08299  -0.00007  -0.00139  -0.00496  -0.00633   1.07666
   D124       1.06058   0.00002   0.00185  -0.00009   0.00186   1.06243
   D125      -1.06363  -0.00006  -0.00051  -0.00202  -0.00264  -1.06628
   D126      -3.09021  -0.00010  -0.00110  -0.00603  -0.00710  -3.09732
   D127      -3.13838   0.00008  -0.00157   0.00335   0.00188  -3.13650
   D128       1.02059   0.00000  -0.00392   0.00142  -0.00262   1.01797
   D129      -1.00598  -0.00004  -0.00451  -0.00259  -0.00708  -1.01306
   D130      -0.09482   0.00015  -0.00170   0.00760   0.00567  -0.08915
   D131       3.08065  -0.00016   0.01258  -0.02699  -0.01497   3.06568
   D132       2.02516   0.00021   0.00264   0.00889   0.01164   2.03680
   D133      -1.08255  -0.00010   0.01691  -0.02570  -0.00900  -1.09155
   D134      -2.22359   0.00025   0.00239   0.01287   0.01521  -2.20837
   D135       0.95189  -0.00006   0.01666  -0.02171  -0.00543   0.94646
   D136      -3.11942   0.00000  -0.00327  -0.01496  -0.01850  -3.13792
   D137       0.00917  -0.00037  -0.00946  -0.02037  -0.02948  -0.02031
   D138      -0.00704   0.00026  -0.01563   0.01505  -0.00070  -0.00774
   D139       3.12155  -0.00010  -0.02182   0.00964  -0.01168   3.10987
   D140       3.12270   0.00001   0.00085   0.01255   0.01393   3.13663
   D141       0.01705  -0.00001   0.00745   0.00203   0.00987   0.02692
   D142       0.00728  -0.00024   0.01181  -0.01398  -0.00202   0.00526
   D143      -3.09838  -0.00026   0.01841  -0.02451  -0.00607  -3.10445
   D144       0.00431  -0.00020   0.01388  -0.01085   0.00321   0.00752
   D145      -2.94751  -0.00069  -0.03133  -0.01354  -0.04283  -2.99034
   D146      -3.12560   0.00013   0.01941  -0.00592   0.01304  -3.11256
   D147       0.20577  -0.00035  -0.02580  -0.00861  -0.03301   0.17277
   D148      -0.00491   0.00013  -0.00363   0.00778   0.00413  -0.00077
   D149      -3.08545  -0.00002   0.02443  -0.01909   0.00553  -3.07992
   D150       3.10071   0.00014  -0.01026   0.01825   0.00811   3.10882
   D151       0.02017  -0.00001   0.01780  -0.00861   0.00950   0.02968
   D152       0.00042   0.00004  -0.00610   0.00177  -0.00447  -0.00405
   D153       2.93678   0.00070   0.03699   0.00411   0.04234   2.97912
   D154       3.08098   0.00022  -0.03418   0.02904  -0.00557   3.07541
   D155      -0.26585   0.00088   0.00890   0.03137   0.04124  -0.22461
   D156      -0.99283  -0.00097  -0.04129  -0.04908  -0.08784  -1.08067
   D157       0.55881   0.00003  -0.03123  -0.03750  -0.06827   0.49054
   D158      -1.98323   0.00013   0.01447  -0.02432  -0.01182  -1.99504
   D159       1.95677   0.00127   0.01525  -0.03610  -0.02386   1.93291
   D160      -2.79684  -0.00142  -0.04989  -0.04984  -0.10038  -2.89722
   D161       2.38248  -0.00157  -0.09402  -0.05119  -0.14242   2.24007
   D162      -2.34906  -0.00056  -0.08395  -0.03961  -0.12285  -2.47191
   D163       1.39209  -0.00047  -0.03826  -0.02643  -0.06639   1.32570
   D164      -0.95110   0.00068  -0.03748  -0.03821  -0.07844  -1.02954
   D165       0.57847  -0.00202  -0.10261  -0.05196  -0.15495   0.42352
   D166       1.19566   0.00093   0.03910   0.01027   0.04356   1.23922
   D167      -2.43424   0.00131   0.04976   0.03118   0.07397  -2.36028
   D168      -0.39470   0.00041   0.03965  -0.00127   0.04101  -0.35369
   D169       2.25858   0.00079   0.05031   0.01964   0.07141   2.33000
   D170       2.18592  -0.00012  -0.01558  -0.01670  -0.03120   2.15472
   D171      -1.44398   0.00026  -0.00492   0.00421  -0.00079  -1.44478
   D172      -1.78972  -0.00117  -0.01894  -0.00502  -0.01908  -1.80880
   D173       0.86357  -0.00079  -0.00828   0.01589   0.01132   0.87489
   D174       2.99956   0.00237   0.06317   0.00807   0.07391   3.07347
   D175      -0.63034   0.00275   0.07383   0.02898   0.10432  -0.52603
   D176       2.39052  -0.00111  -0.08664  -0.04210  -0.13269   2.25783
   D177      -3.08760  -0.00048  -0.03884   0.02261  -0.01760  -3.10520
   D178       1.28263   0.00173   0.03394   0.03748   0.07038   1.35301
   D179      -1.56884   0.00229   0.04370   0.03105   0.07248  -1.49636
   D180      -0.15039  -0.00157  -0.02713   0.03504   0.00943  -0.14095
   D181       2.04416  -0.00180   0.02407  -0.03418  -0.01926   2.02490
   D182      -0.44596  -0.00186  -0.05073  -0.10367  -0.15552  -0.60149
   D183      -2.81227  -0.00128   0.02566  -0.04344  -0.01758  -2.82985
   D184       0.61660  -0.00044   0.05370  -0.03985   0.01392   0.63052
   D185      -1.22034  -0.00049   0.03694  -0.04461  -0.00865  -1.22900
   D186       2.78253  -0.00003   0.06740   0.03983   0.11387   2.89640
   D187      -0.20778  -0.00014   0.04964   0.04650   0.10176  -0.10602
   D188       2.91655   0.00074   0.08254   0.03119   0.11686   3.03341
   D189      -0.68901   0.00049   0.08730   0.05010   0.14100  -0.54802
   D190       0.87333  -0.00018   0.00291  -0.00846  -0.00632   0.86700
   D191      -2.30503   0.00026  -0.01552   0.00400  -0.01133  -2.31636
   D192       0.08575   0.00061   0.02999  -0.02578   0.00540   0.09114
   D193      -3.04306   0.00042   0.00180  -0.02255  -0.01959  -3.06266
   D194      -3.02031   0.00019   0.04780  -0.03783   0.01022  -3.01009
   D195       0.13406   0.00000   0.01961  -0.03461  -0.01477   0.11930
   D196      -1.05530  -0.00031   0.00520  -0.01355  -0.00846  -1.06376
   D197       0.98117  -0.00015   0.00165  -0.00832  -0.00678   0.97438
   D198       3.11806  -0.00021   0.00868  -0.01357  -0.00500   3.11306
   D199       2.05172  -0.00001  -0.01243  -0.00162  -0.01394   2.03778
   D200      -2.19500   0.00015  -0.01598   0.00361  -0.01227  -2.20726
   D201      -0.05811   0.00009  -0.00895  -0.00164  -0.01048  -0.06859
   D202      -1.51759   0.00100   0.01485   0.02792   0.04413  -1.47346
   D203       0.53514   0.00051   0.02658   0.01236   0.03936   0.57450
   D204       2.58917   0.00077   0.02379   0.01909   0.04314   2.63230
   D205       1.61120   0.00120   0.04323   0.02472   0.06909   1.68029
   D206      -2.61926   0.00071   0.05496   0.00916   0.06432  -2.55494
   D207      -0.56523   0.00096   0.05217   0.01589   0.06810  -0.49713
   D208       0.52894   0.00142   0.05344  -0.00218   0.05103   0.57997
   D209      -2.69230   0.00077   0.03404   0.01544   0.04792  -2.64438
   D210      -1.55200   0.00087   0.04293   0.01017   0.05367  -1.49833
   D211       1.50994   0.00022   0.02353   0.02780   0.05056   1.56050
   D212       2.67882   0.00145   0.04850   0.00943   0.05867   2.73749
   D213      -0.54243   0.00081   0.02910   0.02705   0.05556  -0.48686
   D214       1.06892   0.00063  -0.01417   0.02454   0.00560   1.07452
   D215      -1.98629   0.00137   0.00667   0.00592   0.00916  -1.97712
   D216       0.05238  -0.00015  -0.03857  -0.02404  -0.06243  -0.01004
   D217      -2.95602   0.00107   0.06210   0.00918   0.07177  -2.88424
   D218       3.11200  -0.00083  -0.05751  -0.00722  -0.06523   3.04676
   D219       0.10360   0.00040   0.04316   0.02599   0.06896   0.17256
   D220      -2.09355  -0.00063  -0.05203  -0.01929  -0.07104  -2.16460
   D221       0.00191  -0.00058  -0.04718  -0.02097  -0.06789  -0.06598
   D222       2.07682  -0.00067  -0.05323  -0.01916  -0.07211   2.00471
   D223       1.17902   0.00056   0.04699   0.01339   0.06012   1.23913
   D224      -3.00871   0.00060   0.05184   0.01171   0.06327  -2.94543
   D225      -0.93380   0.00052   0.04579   0.01353   0.05905  -0.87475
         Item               Value     Threshold  Converged?
 Maximum Force            0.016969     0.000450     NO 
 RMS     Force            0.001511     0.000300     NO 
 Maximum Displacement     1.111318     0.001800     NO 
 RMS     Displacement     0.224804     0.001200     NO 
 Predicted change in Energy=-9.150555D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.267046    2.427219    3.535854
      2          6           0       -3.531015    1.074094    3.688253
      3          6           0       -2.169852    0.987663    3.033142
      4          6           0       -1.632130    1.394718    1.817044
      5          7           0       -1.117381    0.302512    3.663079
      6          6           0       -0.019395    0.319654    2.832347
      7          7           0       -0.293492    0.978566    1.696520
      8          6           0       -5.358323    0.754381    0.116271
      9          6           0       -5.852601   -0.138937   -1.043478
     10          6           0       -5.172139   -1.527967   -1.083959
     11          6           0       -3.660121   -1.398488   -1.204940
     12          8           0       -3.113951   -0.370878   -1.712653
     13          8           0       -2.936072   -2.410267   -0.682761
     14          6           0       -2.446270    4.155860   -2.994130
     15          6           0       -1.158615    3.735241   -3.738909
     16          6           0       -0.270454    2.837224   -2.918495
     17          6           0       -0.556641    1.826419   -2.013318
     18          7           0        1.125841    2.806616   -3.062288
     19          6           0        1.626443    1.792607   -2.278257
     20          7           0        0.627516    1.180808   -1.632116
     21          6           0        4.471986    4.088737    1.536892
     22          6           0        5.099594    2.748363    1.974286
     23          6           0        4.237240    1.574459    1.599936
     24          6           0        2.975355    1.501644    1.033247
     25          7           0        4.617214    0.235445    1.803242
     26          6           0        3.608938   -0.586185    1.361270
     27          7           0        2.603422    0.157848    0.886734
     28         30           0        0.923610   -0.407441   -0.147059
     29          1           0       -5.236015    2.385657    4.046799
     30          1           0       -4.455294    2.660379    2.481273
     31          1           0       -3.681452    3.247312    3.967947
     32          1           0       -4.176136    0.276410    3.292158
     33          1           0       -3.410485    0.862917    4.761919
     34          1           0       -2.107359    1.959970    1.031960
     35          1           0       -1.163588   -0.117199    4.582662
     36          1           0        0.922957   -0.142644    3.078147
     37          1           0       -4.263912    0.801756    0.131840
     38          1           0       -5.702508    0.374322    1.088902
     39          1           0       -5.738094    1.778998    0.006039
     40          1           0       -6.940339   -0.274590   -0.976322
     41          1           0       -5.643928    0.369725   -1.992972
     42          1           0       -5.389652   -2.129546   -0.194440
     43          1           0       -5.547921   -2.095548   -1.948634
     44          1           0       -3.041895    3.277768   -2.716996
     45          1           0       -3.067339    4.789297   -3.637876
     46          1           0       -2.211998    4.714620   -2.080438
     47          1           0       -1.440857    3.212086   -4.664689
     48          1           0       -0.600486    4.631227   -4.047852
     49          1           0       -1.526316    1.468602   -1.706028
     50          1           0        1.662309    3.401889   -3.680224
     51          1           0        2.663547    1.503101   -2.244408
     52          1           0        4.327802    4.123758    0.450284
     53          1           0        3.500027    4.248095    2.019135
     54          1           0        5.125581    4.921395    1.818950
     55          1           0        5.263448    2.757592    3.062420
     56          1           0        6.090794    2.643005    1.508232
     57          1           0        2.306976    2.293922    0.742013
     58          1           0        5.481434   -0.069630    2.233500
     59          1           0        3.599084   -1.661355    1.440276
     60          8           0       -0.860750   -1.166795   -0.401641
     61          1           0       -1.398954   -0.448820   -0.814350
     62          1           0       -1.792872   -1.991529   -0.574684
     63          6           0        2.846004   -2.413472   -1.904635
     64          8           0        2.199033   -1.321319   -1.816345
     65          7           0        2.275075   -3.609745   -1.589832
     66          6           0        0.861833   -3.736948   -1.239902
     67          6           0        0.562137   -3.452107    0.239249
     68          8           0        1.234526   -2.589997    0.898434
     69          7           0       -0.512289   -4.101048    0.739739
     70          1           0        0.291288   -2.989491   -1.806432
     71          1           0        0.509294   -4.732647   -1.530652
     72          1           0        2.846528   -4.446150   -1.608065
     73          1           0       -1.041585   -4.709349    0.122735
     74          6           0       -1.156007   -3.742538    2.014028
     75          1           0       -1.190189   -4.607822    2.685755
     76          1           0       -0.576815   -2.941007    2.474423
     77          1           0       -2.171099   -3.383516    1.812125
     78          6           0        4.272338   -2.434755   -2.418369
     79          1           0        4.276947   -2.052104   -3.445510
     80          1           0        4.889535   -1.758493   -1.817266
     81          1           0        4.720041   -3.433400   -2.416270
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0971287      0.0712531      0.0658237
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4895.5590605220 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33632 LenP2D=  121839.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.48D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.998736    0.045144    0.018019    0.012782 Ang=   5.76 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.94277196     A.U. after   12 cycles
            NFock= 12  Conv=0.82D-08     -V/T= 1.9788
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33632 LenP2D=  121839.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000126374   -0.000267930    0.000685110
      3        6          -0.000709811    0.000352365    0.001305952
      4        6           0.000783357   -0.002151555   -0.001067682
      5        7          -0.000086765   -0.000453903   -0.000407770
      6        6          -0.000093645   -0.001219788    0.001392527
      7        7          -0.001633833    0.005725127    0.000246084
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.001504673   -0.000754589   -0.000626403
     10        6           0.000638867   -0.001805743   -0.001365448
     11        6          -0.002282449    0.008877725    0.001587031
     12        8          -0.000543215   -0.003266939    0.000413572
     13        8          -0.005383291   -0.010392133   -0.001421080
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000602416   -0.000627915    0.001182681
     16        6          -0.000181150    0.000974021   -0.001495596
     17        6           0.001788607    0.001859508   -0.002866585
     18        7          -0.000388214    0.001900424   -0.001220959
     19        6           0.000300168   -0.001335676   -0.002836604
     20        7          -0.004898833    0.000373926    0.007602790
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000256430   -0.000045394   -0.000699287
     23        6           0.000741573    0.000442556    0.000503785
     24        6          -0.001036556    0.000300701   -0.000798048
     25        7          -0.000010058    0.000146288    0.000549076
     26        6           0.000672850    0.001491722    0.002652643
     27        7          -0.001205178   -0.002640117   -0.001034515
     28       30           0.007799672   -0.002987702   -0.002777633
     29        1           0.000024555   -0.000068679    0.000148761
     30        1          -0.000110122    0.000040042   -0.000017510
     31        1           0.000100494   -0.000010949    0.000048364
     32        1          -0.000264642   -0.000229278   -0.000658609
     33        1           0.000187764    0.000154903   -0.000229397
     34        1           0.000672312    0.000484618   -0.000204377
     35        1          -0.000043504   -0.000144352   -0.000012789
     36        1           0.000107691    0.000233258   -0.000043035
     37        1           0.001051434   -0.000346839   -0.000511040
     38        1          -0.000009402    0.000478562   -0.000028879
     39        1           0.000655345    0.000545268    0.000158527
     40        1           0.000396415    0.000053627    0.000109584
     41        1           0.000337901    0.000182182   -0.000035384
     42        1           0.000574686   -0.000132553    0.000868822
     43        1          -0.000762180    0.000158469    0.000073859
     44        1           0.000014741   -0.000065222    0.000057985
     45        1           0.000047618   -0.000132674    0.000111775
     46        1          -0.000033221   -0.000186995    0.000030447
     47        1          -0.000227943   -0.000200657   -0.000030674
     48        1          -0.000023111   -0.000097939    0.000625136
     49        1           0.000442942   -0.000797097    0.001204049
     50        1          -0.000256293   -0.000138478    0.000415385
     51        1           0.000005598   -0.000971746    0.001089184
     52        1          -0.000124155   -0.000035164   -0.000062363
     53        1          -0.000012505   -0.000050864   -0.000027829
     54        1           0.000115254   -0.000114450   -0.000111786
     55        1           0.000059963   -0.000330113   -0.000131998
     56        1          -0.000190883    0.000102397    0.000253048
     57        1          -0.000435698   -0.000151490    0.000404780
     58        1          -0.000050909    0.000090202   -0.000247023
     59        1          -0.000458159   -0.000438407   -0.001526716
     60        8           0.007483891    0.004247861   -0.010380012
     61        1          -0.000339973   -0.001895272   -0.001233570
     62        1           0.001406556    0.003868861    0.007774728
     63        6           0.001227983   -0.001949561   -0.001390430
     64        8          -0.002268332    0.002132263    0.005225612
     65        7          -0.001359971    0.001270136   -0.000595622
     66        6           0.000373438    0.000620657   -0.000679072
     67        6           0.000984356   -0.000700304    0.004122580
     68        8          -0.002367672   -0.000610336   -0.005410518
     69        7           0.000778582    0.000495329    0.000611348
     70        1          -0.000002761    0.000195990    0.000218575
     71        1          -0.000342820   -0.000221370    0.000099413
     72        1           0.000277267   -0.000166716   -0.000804808
     73        1          -0.000085018   -0.000064577   -0.000210496
     74        6           0.000073959    0.000022632    0.000112770
     75        1          -0.000052258   -0.000085633    0.000091377
     76        1          -0.000142134    0.000183673    0.000287801
     77        1           0.000019565    0.000090713    0.000014875
     78        6           0.000235018   -0.000239413    0.000238278
     79        1          -0.000171614    0.000060992   -0.000129031
     80        1          -0.000001705    0.000259410    0.000073860
     81        1          -0.000103788    0.000115187    0.000235256
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.010392133 RMS     0.001920811

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.008785441 RMS     0.000827688
 Search for a local minimum.
 Step number   6 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points    5    6
 DE= -1.07D-02 DEPred=-9.15D-03 R= 1.17D+00
 TightC=F SS=  1.41D+00  RLast= 1.08D+00 DXNew= 2.4000D+00 3.2501D+00
 Trust test= 1.17D+00 RLast= 1.08D+00 DXMaxT set to 2.40D+00
 ITU=  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00228   0.00230   0.00230   0.00230   0.00340
     Eigenvalues ---    0.00413   0.00437   0.00528   0.00556   0.00566
     Eigenvalues ---    0.00628   0.00661   0.00715   0.00755   0.00804
     Eigenvalues ---    0.00836   0.00890   0.01077   0.01101   0.01205
     Eigenvalues ---    0.01303   0.01360   0.01370   0.01403   0.01429
     Eigenvalues ---    0.01450   0.01551   0.01639   0.01702   0.01751
     Eigenvalues ---    0.01828   0.01835   0.01852   0.01882   0.01925
     Eigenvalues ---    0.01934   0.02080   0.02105   0.02127   0.02167
     Eigenvalues ---    0.02174   0.02214   0.02264   0.02287   0.02307
     Eigenvalues ---    0.02343   0.02658   0.03137   0.03302   0.03595
     Eigenvalues ---    0.03704   0.03874   0.03903   0.04040   0.04190
     Eigenvalues ---    0.04402   0.04698   0.04874   0.05182   0.05358
     Eigenvalues ---    0.05365   0.05383   0.05396   0.05406   0.05409
     Eigenvalues ---    0.05485   0.05485   0.05529   0.05533   0.05545
     Eigenvalues ---    0.05647   0.06441   0.06465   0.06865   0.06927
     Eigenvalues ---    0.07275   0.07425   0.07509   0.07709   0.08229
     Eigenvalues ---    0.08373   0.08821   0.09024   0.09273   0.09347
     Eigenvalues ---    0.09434   0.09878   0.10093   0.10723   0.11185
     Eigenvalues ---    0.11900   0.12296   0.12554   0.12790   0.12845
     Eigenvalues ---    0.12937   0.13205   0.14996   0.15668   0.15829
     Eigenvalues ---    0.15883   0.15952   0.15956   0.15979   0.15990
     Eigenvalues ---    0.15994   0.15997   0.15999   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16004
     Eigenvalues ---    0.16007   0.16014   0.16106   0.16683   0.16908
     Eigenvalues ---    0.18370   0.19012   0.19346   0.20192   0.20969
     Eigenvalues ---    0.21232   0.21471   0.22051   0.22090   0.22095
     Eigenvalues ---    0.22570   0.22774   0.22850   0.22938   0.23424
     Eigenvalues ---    0.23533   0.23735   0.24593   0.24741   0.24853
     Eigenvalues ---    0.24958   0.25027   0.26460   0.26987   0.27460
     Eigenvalues ---    0.27726   0.27952   0.28169   0.28331   0.30199
     Eigenvalues ---    0.30411   0.30707   0.31299   0.31632   0.31716
     Eigenvalues ---    0.33566   0.33611   0.33618   0.33652   0.33663
     Eigenvalues ---    0.33712   0.33781   0.33808   0.33870   0.33900
     Eigenvalues ---    0.33923   0.33928   0.33947   0.33983   0.33985
     Eigenvalues ---    0.33992   0.34013   0.34046   0.34073   0.34075
     Eigenvalues ---    0.34096   0.34130   0.34171   0.34177   0.34181
     Eigenvalues ---    0.34211   0.34247   0.34256   0.34301   0.34610
     Eigenvalues ---    0.35534   0.35652   0.35747   0.36000   0.36222
     Eigenvalues ---    0.36322   0.36334   0.36419   0.38491   0.39285
     Eigenvalues ---    0.39528   0.41763   0.42409   0.42515   0.45050
     Eigenvalues ---    0.45222   0.45295   0.45464   0.45499   0.45582
     Eigenvalues ---    0.45590   0.45638   0.47199   0.48953   0.49074
     Eigenvalues ---    0.49253   0.49647   0.49876   0.52274   0.54429
     Eigenvalues ---    0.54853   0.54956   0.55457   0.71575   0.73304
     Eigenvalues ---    0.760861000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 RFO step:  Lambda=-3.85614601D-03 EMin= 2.27942602D-03
 Quartic linear search produced a step of  0.48136.
 Iteration  1 RMS(Cart)=  0.13020620 RMS(Int)=  0.00472702
 Iteration  2 RMS(Cart)=  0.01274977 RMS(Int)=  0.00112682
 Iteration  3 RMS(Cart)=  0.00018063 RMS(Int)=  0.00112587
 Iteration  4 RMS(Cart)=  0.00000141 RMS(Int)=  0.00112587
 Iteration  5 RMS(Cart)=  0.00000002 RMS(Int)=  0.00112587
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48439   0.00036  -0.00002   0.00000   0.00000   8.48439
    Y1       -0.92759  -0.00026   0.00001   0.00000   0.00000  -0.92759
    Z1        7.47494   0.00014  -0.00001   0.00000   0.00000   7.47494
    X8       10.19820   0.00123   0.00003   0.00000   0.00000  10.19820
    Y8        1.20620   0.00063  -0.00001   0.00000   0.00000   1.20620
    Z8        0.50973  -0.00135   0.00001   0.00000   0.00000   0.50973
   X14        7.21032  -0.00023  -0.00001   0.00000   0.00000   7.21032
   Y14       -7.64137  -0.00021   0.00000   0.00000   0.00000  -7.64137
   Z14       -3.84250   0.00082  -0.00001   0.00000   0.00000  -3.84250
   X21       -6.13874  -0.00019   0.00001   0.00000   0.00000  -6.13874
   Y21       -9.38870  -0.00016  -0.00001   0.00000   0.00000  -9.38870
   Z21        4.09470  -0.00011   0.00001   0.00000   0.00000   4.09470
    R1        2.92506  -0.00039   0.00117  -0.00186   0.00045   2.92551
    R2        2.07155   0.00006  -0.00016   0.00033  -0.00009   2.07146
    R3        2.07177  -0.00003   0.00042  -0.00029   0.00006   2.07183
    R4        2.07197   0.00000  -0.00005  -0.00003  -0.00038   2.07158
    R5        2.85930  -0.00036   0.00086  -0.00182  -0.00068   2.85863
    R6        2.07816   0.00005  -0.00051   0.00062   0.00011   2.07827
    R7        2.08031  -0.00020   0.00053  -0.00102  -0.00049   2.07982
    R8        2.62783   0.00068   0.00064   0.00090   0.00128   2.62911
    R9        2.65501  -0.00062   0.00136   0.00043   0.00149   2.65651
   R10        2.65885   0.00092  -0.00208   0.00210   0.00053   2.65938
   R11        2.03680   0.00029  -0.00012   0.00123   0.00111   2.03791
   R12        2.60205  -0.00077   0.00216  -0.00220   0.00008   2.60214
   R13        1.91220  -0.00009   0.00004  -0.00030  -0.00027   1.91193
   R14        2.53491   0.00025  -0.00479   0.00173  -0.00269   2.53222
   R15        2.03719  -0.00006   0.00092  -0.00019   0.00073   2.03793
   R16        4.92821  -0.00039   0.00129  -0.00559  -0.00386   4.92436
   R17        2.91982   0.00071  -0.00033   0.00344   0.00239   2.92222
   R18        2.07028  -0.00088  -0.00119  -0.00310  -0.00506   2.06522
   R19        2.07777   0.00027   0.00048   0.00088   0.00206   2.07983
   R20        2.07545  -0.00002  -0.00009   0.00002   0.00039   2.07584
   R21        2.92393   0.00024   0.00033   0.00030   0.00014   2.92407
   R22        2.07533   0.00039  -0.00008   0.00158   0.00150   2.07684
   R23        2.07338  -0.00009   0.00076  -0.00076   0.00000   2.07339
   R24        2.87686  -0.00072   0.00143  -0.00404  -0.00338   2.87348
   R25        2.07048   0.00046  -0.00097   0.00228   0.00131   2.07179
   R26        2.07958  -0.00020   0.00131  -0.00138  -0.00007   2.07951
   R27        2.39932   0.00263  -0.00464   0.00615   0.00210   2.40143
   R28        2.54981  -0.00335   0.01314  -0.00933   0.00397   2.55378
   R29        3.66151  -0.00206   0.02547  -0.02642  -0.00077   3.66074
   R30        2.30974  -0.00879  -0.02654  -0.01542  -0.04293   2.26682
   R31        2.92124  -0.00015   0.00067  -0.00010   0.00235   2.92359
   R32        2.07235  -0.00005   0.00019  -0.00036  -0.00082   2.07153
   R33        2.07128   0.00006  -0.00029   0.00038   0.00011   2.07139
   R34        2.07175   0.00010  -0.00033   0.00052  -0.00013   2.07162
   R35        2.84612   0.00060  -0.00108   0.00181   0.00075   2.84687
   R36        2.07906  -0.00008   0.00002  -0.00035  -0.00033   2.07873
   R37        2.07848   0.00004   0.00012   0.00007   0.00018   2.07866
   R38        2.62051   0.00031   0.00157  -0.00123  -0.00112   2.61939
   R39        2.65320   0.00018  -0.00205   0.00220   0.00008   2.65329
   R40        2.64856   0.00241  -0.00248   0.00748   0.00497   2.65352
   R41        2.03769   0.00010   0.00033   0.00075   0.00109   2.03878
   R42        2.60036  -0.00124   0.00218  -0.00396  -0.00104   2.59932
   R43        1.91226   0.00000   0.00004  -0.00004   0.00000   1.91226
   R44        2.52804   0.00144  -0.00400   0.00500   0.00155   2.52959
   R45        2.03577  -0.00005  -0.00057   0.00054  -0.00003   2.03575
   R46        4.14691  -0.00308  -0.02956  -0.01870  -0.04871   4.09820
   R47        2.91643   0.00015   0.00021   0.00098   0.00062   2.91705
   R48        2.07245   0.00004  -0.00003   0.00014   0.00014   2.07258
   R49        2.07238  -0.00003   0.00013  -0.00023   0.00016   2.07255
   R50        2.07014   0.00000   0.00006   0.00000   0.00007   2.07021
   R51        2.84204  -0.00012  -0.00043  -0.00037  -0.00081   2.84123
   R52        2.07953  -0.00019  -0.00019  -0.00069  -0.00089   2.07864
   R53        2.07937   0.00002   0.00029  -0.00009   0.00020   2.07958
   R54        2.61766  -0.00107  -0.00026  -0.00330  -0.00315   2.61451
   R55        2.65819   0.00026  -0.00013   0.00131   0.00090   2.65909
   R56        2.64939  -0.00072  -0.00142  -0.00214  -0.00333   2.64606
   R57        2.03464  -0.00030  -0.00019  -0.00113  -0.00132   2.03332
   R58        2.59591   0.00019   0.00093   0.00038   0.00100   2.59690
   R59        1.91327  -0.00002  -0.00011  -0.00001  -0.00012   1.91315
   R60        2.52816   0.00050  -0.00106   0.00162   0.00063   2.52879
   R61        2.03734  -0.00005   0.00058  -0.00055   0.00002   2.03736
   R62        3.87742   0.00144  -0.03051   0.02851  -0.00183   3.87558
   R63        3.69603   0.00053  -0.01455   0.01180  -0.00327   3.69276
   R64        4.32924  -0.00224  -0.00142  -0.02580  -0.02720   4.30204
   R65        4.61080   0.00036  -0.00317   0.00204  -0.00185   4.60896
   R66        1.86641  -0.00003  -0.00346   0.00192  -0.00193   1.86448
   R67        2.37458  -0.00674  -0.02857  -0.01288  -0.04246   2.33212
   R68        2.40461  -0.00079  -0.00360   0.00071  -0.00233   2.40227
   R69        2.57456   0.00106   0.00087   0.00391   0.00482   2.57938
   R70        2.86517  -0.00018  -0.00100  -0.00022  -0.00121   2.86395
   R71        2.76177   0.00110   0.00097   0.00499   0.00540   2.76717
   R72        1.91457  -0.00013  -0.00067  -0.00003  -0.00071   1.91386
   R73        2.90234   0.00122  -0.00603   0.00865   0.00321   2.90555
   R74        2.07455  -0.00019   0.00026  -0.00018   0.00009   2.07463
   R75        2.07029  -0.00027   0.00022  -0.00128  -0.00106   2.06923
   R76        2.41254  -0.00194  -0.00402  -0.00232  -0.00570   2.40684
   R77        2.55358   0.00108   0.00479  -0.00007   0.00471   2.55830
   R78        1.91868   0.00008   0.00005   0.00044   0.00049   1.91917
   R79        2.78163   0.00044   0.00215   0.00101   0.00316   2.78479
   R80        2.07104  -0.00003  -0.00048   0.00007  -0.00041   2.07063
   R81        2.06134   0.00008  -0.00037   0.00056   0.00019   2.06153
   R82        2.07015   0.00001   0.00019  -0.00013   0.00007   2.07022
   R83        2.07135   0.00004   0.00029   0.00003   0.00033   2.07168
   R84        2.06973  -0.00011  -0.00017  -0.00037  -0.00054   2.06919
   R85        2.06814   0.00010  -0.00040   0.00062   0.00022   2.06836
    A1        1.91907   0.00010  -0.00131   0.00161   0.00007   1.91914
    A2        1.94150  -0.00017   0.00001  -0.00101  -0.00134   1.94016
    A3        1.94023   0.00012   0.00028   0.00012   0.00019   1.94043
    A4        1.88035   0.00007   0.00020   0.00055   0.00096   1.88131
    A5        1.89311  -0.00014   0.00084  -0.00123  -0.00002   1.89309
    A6        1.88779   0.00001   0.00002  -0.00007   0.00019   1.88799
    A7        2.02092   0.00003   0.00429  -0.00344   0.00096   2.02188
    A8        1.89619   0.00027  -0.00083   0.00076  -0.00001   1.89618
    A9        1.89208  -0.00009  -0.00088   0.00253   0.00149   1.89357
   A10        1.90747  -0.00054  -0.00164  -0.00521  -0.00688   1.90059
   A11        1.88896   0.00026  -0.00028   0.00339   0.00308   1.89203
   A12        1.85081   0.00009  -0.00108   0.00258   0.00152   1.85232
   A13        2.35998  -0.00065   0.00347  -0.00706  -0.00400   2.35598
   A14        2.10322   0.00025  -0.00292   0.00333   0.00054   2.10376
   A15        1.81850   0.00039  -0.00125   0.00388   0.00217   1.82068
   A16        1.93503  -0.00069   0.00071  -0.00781  -0.00602   1.92901
   A17        2.23956  -0.00023   0.00116  -0.00065  -0.00006   2.23950
   A18        2.10855   0.00092  -0.00179   0.00849   0.00613   2.11468
   A19        1.89733   0.00012  -0.00116   0.00185   0.00072   1.89806
   A20        2.18404  -0.00002  -0.00205   0.00062  -0.00146   2.18258
   A21        2.20168  -0.00011   0.00317  -0.00254   0.00059   2.20227
   A22        1.93267   0.00037   0.00070  -0.00514  -0.00379   1.92888
   A23        2.15813  -0.00031   0.00362  -0.00078   0.00251   2.16064
   A24        2.19238  -0.00006  -0.00432   0.00594   0.00129   2.19367
   A25        1.84124  -0.00020   0.00100   0.00723   0.00692   1.84816
   A26        2.29397   0.00012   0.00027   0.00855   0.00666   2.30064
   A27        1.81538   0.00083   0.02857   0.01832   0.04582   1.86121
   A28        1.93396  -0.00004   0.00012   0.00091   0.00169   1.93565
   A29        1.94335  -0.00043  -0.00079  -0.00300  -0.00396   1.93939
   A30        1.93203  -0.00036  -0.00098  -0.00398  -0.00500   1.92703
   A31        1.89135   0.00048   0.00327   0.00533   0.00864   1.89999
   A32        1.88232   0.00024  -0.00104   0.00279   0.00195   1.88427
   A33        1.87866   0.00016  -0.00051  -0.00177  -0.00307   1.87558
   A34        1.98011   0.00078   0.00206   0.00416   0.00519   1.98530
   A35        1.92023  -0.00043  -0.00363  -0.00776  -0.01054   1.90969
   A36        1.89724  -0.00002  -0.00077   0.00790   0.00667   1.90391
   A37        1.90318  -0.00065  -0.00114  -0.01078  -0.01169   1.89149
   A38        1.88589   0.00029   0.00476   0.00863   0.01351   1.89940
   A39        1.87398   0.00001  -0.00124  -0.00205  -0.00333   1.87064
   A40        1.94176   0.00191   0.00727   0.00896   0.01389   1.95566
   A41        1.96531  -0.00148   0.00117  -0.01439  -0.01222   1.95309
   A42        1.91070   0.00035   0.00232   0.00729   0.00988   1.92058
   A43        1.88430  -0.00008  -0.00243   0.00141  -0.00059   1.88371
   A44        1.89714  -0.00118  -0.00444  -0.00468  -0.00822   1.88892
   A45        1.86182   0.00038  -0.00456   0.00115  -0.00372   1.85810
   A46        2.12687  -0.00160   0.00791  -0.01043  -0.00328   2.12359
   A47        2.02465   0.00229  -0.00986   0.01158   0.00361   2.02826
   A48        2.13036  -0.00069   0.00230  -0.00170  -0.00062   2.12974
   A49        1.73433  -0.00264   0.00049   0.00017  -0.00218   1.73214
   A50        1.85378   0.00287   0.00664   0.01005   0.01083   1.86461
   A51        1.93510   0.00014   0.00062   0.00117   0.00158   1.93668
   A52        1.92439   0.00010   0.00065   0.00025   0.00031   1.92470
   A53        1.94144  -0.00016  -0.00124  -0.00121  -0.00285   1.93859
   A54        1.87906  -0.00002  -0.00085   0.00111   0.00068   1.87974
   A55        1.88972   0.00004   0.00058   0.00019   0.00142   1.89114
   A56        1.89233  -0.00008   0.00024  -0.00150  -0.00107   1.89126
   A57        1.97252   0.00129  -0.00623   0.00671  -0.00038   1.97214
   A58        1.89770  -0.00032   0.00331  -0.00082   0.00260   1.90030
   A59        1.91385  -0.00041  -0.00091  -0.00195  -0.00244   1.91140
   A60        1.90300  -0.00035   0.00178  -0.00061   0.00140   1.90440
   A61        1.91716  -0.00054   0.00187  -0.00454  -0.00247   1.91469
   A62        1.85582   0.00028   0.00066   0.00091   0.00148   1.85731
   A63        2.30297   0.00097  -0.00108   0.00306   0.00025   2.30322
   A64        2.14561  -0.00092   0.00104  -0.00106   0.00194   2.14755
   A65        1.82989  -0.00001  -0.00003   0.00012  -0.00034   1.82955
   A66        1.91659  -0.00031  -0.00074  -0.00122  -0.00075   1.91584
   A67        2.23127  -0.00024   0.00009  -0.00027  -0.00152   2.22975
   A68        2.12870   0.00065   0.00105   0.00769   0.00728   2.13599
   A69        1.89601   0.00089  -0.00065   0.00385   0.00273   1.89873
   A70        2.18578  -0.00017  -0.00121   0.00190   0.00046   2.18624
   A71        2.20006  -0.00067   0.00220  -0.00388  -0.00190   2.19816
   A72        1.91830   0.00012  -0.00020  -0.00185  -0.00173   1.91656
   A73        2.17264  -0.00043  -0.00092  -0.00186  -0.00310   2.16953
   A74        2.19048   0.00034   0.00137   0.00469   0.00583   2.19631
   A75        1.86383  -0.00068   0.00164  -0.00019   0.00003   1.86386
   A76        2.25422  -0.00092  -0.00957  -0.00596  -0.02360   2.23062
   A77        2.16169   0.00166   0.01803   0.00933   0.02680   2.18849
   A78        1.94122  -0.00017  -0.00064  -0.00155  -0.00202   1.93920
   A79        1.94121   0.00007   0.00025   0.00075   0.00103   1.94224
   A80        1.92255   0.00026  -0.00025   0.00232   0.00226   1.92481
   A81        1.89076   0.00005  -0.00008   0.00052   0.00024   1.89100
   A82        1.88523  -0.00011   0.00075  -0.00164  -0.00091   1.88431
   A83        1.88086  -0.00010   0.00001  -0.00047  -0.00065   1.88021
   A84        1.95432  -0.00062  -0.00244  -0.00413  -0.00633   1.94799
   A85        1.91082   0.00007   0.00273  -0.00163   0.00114   1.91196
   A86        1.90651   0.00020  -0.00166   0.00217   0.00031   1.90681
   A87        1.91564   0.00037   0.00149   0.00296   0.00438   1.92003
   A88        1.91384   0.00019  -0.00121   0.00232   0.00103   1.91487
   A89        1.86031  -0.00018   0.00129  -0.00156  -0.00024   1.86007
   A90        2.29857  -0.00128   0.00017  -0.00865  -0.00798   2.29059
   A91        2.15574   0.00112  -0.00005   0.00825   0.00749   2.16323
   A92        1.82882   0.00016   0.00003   0.00047   0.00054   1.82936
   A93        1.91220   0.00044   0.00023   0.00105   0.00114   1.91334
   A94        2.26203  -0.00073   0.00062  -0.00472  -0.00404   2.25799
   A95        2.10872   0.00030  -0.00093   0.00368   0.00279   2.11151
   A96        1.90137  -0.00032  -0.00064  -0.00082  -0.00148   1.89989
   A97        2.18809   0.00033  -0.00055   0.00236   0.00171   2.18979
   A98        2.19325   0.00001   0.00125  -0.00094   0.00021   2.19346
   A99        1.91043  -0.00018   0.00000  -0.00089  -0.00059   1.90984
   A100       2.18905   0.00019   0.00161   0.00041   0.00176   2.19081
   A101       2.18187   0.00003  -0.00165   0.00179  -0.00011   2.18176
   A102       1.87193  -0.00010   0.00038   0.00014   0.00027   1.87220
   A103       2.13401   0.00045  -0.00448   0.00083  -0.00296   2.13105
   A104       2.26635  -0.00033   0.00784   0.00091   0.00717   2.27352
   A105       1.60158   0.00012   0.00582   0.00217   0.00352   1.60510
   A106       1.44999   0.00067  -0.00514  -0.00136  -0.00267   1.44732
   A107       1.44303  -0.00036  -0.00888   0.00039  -0.01027   1.43275
   A108       2.97971   0.00107   0.02489   0.00900   0.03149   3.01121
   A109       1.80489   0.00017   0.00959   0.00298   0.01663   1.82152
   A110       1.82557  -0.00002  -0.04096  -0.00183  -0.04345   1.78212
   A111       1.64067  -0.00067   0.03695  -0.00567   0.03066   1.67132
   A112       1.44117   0.00063   0.01853   0.00962   0.02716   1.46832
   A113       2.83905  -0.00036  -0.00594   0.00219  -0.00620   2.83284
   A114       2.73746   0.00076  -0.00367   0.00576   0.00264   2.74011
   A115       1.59204  -0.00010   0.00270   0.00039   0.00755   1.59958
   A116       1.49696   0.00011   0.03043  -0.01067   0.01899   1.51594
   A117       1.83195  -0.00052   0.00156  -0.00372  -0.00638   1.82556
   A118       1.39462   0.00057  -0.01877   0.01953   0.00326   1.39788
   A119       1.45498  -0.00102  -0.03712  -0.01650  -0.05245   1.40254
   A120       1.84347  -0.00155  -0.01564  -0.00612  -0.02015   1.82332
   A121       2.82243  -0.00083   0.00377  -0.00444   0.00123   2.82365
   A122       1.58615   0.00235   0.01411   0.01281   0.02326   1.60940
   A123       2.35364  -0.00172  -0.00481  -0.00092  -0.01045   2.34318
   A124       2.76751   0.00002   0.03577  -0.00678   0.02455   2.79206
   A125       2.12297   0.00010  -0.01044   0.01043  -0.00009   2.12288
   A126       2.11048   0.00037   0.00493  -0.00299   0.00193   2.11241
   A127       2.04901  -0.00046   0.00543  -0.00700  -0.00152   2.04749
   A128       2.31312   0.00187   0.05248   0.00953   0.06079   2.37391
   A129       2.13765  -0.00014  -0.01246   0.01123  -0.00243   2.13522
   A130       2.07643  -0.00001   0.00871  -0.00756   0.00164   2.07807
   A131       2.06904   0.00015   0.00375  -0.00339   0.00085   2.06989
   A132       1.98575  -0.00001   0.00146  -0.00722  -0.00564   1.98011
   A133       1.89625   0.00054  -0.00048   0.00469   0.00369   1.89994
   A134       1.90364  -0.00056   0.00336  -0.00320   0.00059   1.90423
   A135       1.84348  -0.00087  -0.00229  -0.00039  -0.00264   1.84084
   A136       1.94052   0.00082  -0.00242   0.00544   0.00289   1.94342
   A137       1.89084   0.00010   0.00017   0.00122   0.00138   1.89222
   A138       2.11734  -0.00083   0.00317  -0.01147  -0.00770   2.10964
   A139       2.00732   0.00095  -0.00282   0.00938   0.00614   2.01346
   A140       2.15534  -0.00013  -0.00045   0.00303   0.00232   2.15766
   A141       1.89198   0.00177   0.01949   0.00154   0.01982   1.91180
   A142       2.06819  -0.00041  -0.00285  -0.00122  -0.00549   2.06270
   A143       2.15482   0.00036  -0.00208   0.00298  -0.00047   2.15435
   A144       2.03088   0.00010  -0.00568   0.00405  -0.00303   2.02785
   A145       1.93045  -0.00002  -0.00049  -0.00083  -0.00133   1.92912
   A146       1.88825   0.00029  -0.00006   0.00264   0.00258   1.89082
   A147       1.90233   0.00004  -0.00271   0.00133  -0.00139   1.90094
   A148       1.91560  -0.00028   0.00151  -0.00332  -0.00181   1.91380
   A149       1.92071  -0.00005   0.00208  -0.00114   0.00094   1.92165
   A150       1.90602   0.00003  -0.00038   0.00145   0.00106   1.90708
   A151       1.89291   0.00039  -0.00114   0.00436   0.00322   1.89613
   A152       1.91293  -0.00016   0.00276  -0.00318  -0.00042   1.91251
   A153       1.97904  -0.00021  -0.00090  -0.00143  -0.00233   1.97671
   A154       1.87169   0.00010  -0.00006   0.00188   0.00182   1.87350
   A155       1.89508  -0.00001  -0.00022   0.00071   0.00049   1.89556
   A156       1.90905  -0.00008  -0.00043  -0.00205  -0.00248   1.90657
    D1       -3.13782  -0.00022   0.00068  -0.00267  -0.00203  -3.13985
    D2        0.99192   0.00026   0.00042   0.00611   0.00639   0.99831
    D3       -1.01198   0.00006   0.00259   0.00134   0.00383  -1.00815
    D4        1.06382  -0.00027   0.00128  -0.00376  -0.00242   1.06140
    D5       -1.08963   0.00021   0.00101   0.00502   0.00600  -1.08362
    D6       -3.09353   0.00001   0.00318   0.00025   0.00344  -3.09009
    D7       -1.04115  -0.00026   0.00105  -0.00307  -0.00189  -1.04304
    D8        3.08859   0.00023   0.00078   0.00571   0.00653   3.09512
    D9        1.08469   0.00003   0.00295   0.00094   0.00397   1.08866
   D10       -0.74338  -0.00020  -0.02877  -0.01116  -0.04009  -0.78347
   D11        2.46692  -0.00012   0.00016  -0.01495  -0.01498   2.45195
   D12        1.40414  -0.00026  -0.02805  -0.01686  -0.04491   1.35923
   D13       -1.66873  -0.00017   0.00088  -0.02064  -0.01980  -1.68854
   D14       -2.87089  -0.00030  -0.03034  -0.01472  -0.04510  -2.91598
   D15        0.33942  -0.00021  -0.00142  -0.01850  -0.01999   0.31943
   D16       -3.08153   0.00024   0.02416  -0.00001   0.02381  -3.05771
   D17        0.07058   0.00006   0.01838  -0.00257   0.01564   0.08622
   D18       -0.00099   0.00017  -0.00156   0.00341   0.00150   0.00050
   D19       -3.13207  -0.00001  -0.00734   0.00085  -0.00668  -3.13875
   D20        3.09132  -0.00013  -0.01946   0.00154  -0.01749   3.07383
   D21       -0.06697  -0.00017  -0.02189  -0.00323  -0.02504  -0.09201
   D22       -0.00037  -0.00003   0.00153  -0.00081   0.00104   0.00067
   D23        3.12453  -0.00007  -0.00090  -0.00557  -0.00651   3.11802
   D24        0.00199  -0.00025   0.00100  -0.00475  -0.00350  -0.00150
   D25        2.19139   0.00098   0.04833   0.04300   0.09100   2.28239
   D26        3.13398  -0.00009   0.00633  -0.00246   0.00396   3.13794
   D27       -0.95981   0.00114   0.05366   0.04529   0.09846  -0.86135
   D28        0.00167  -0.00012  -0.00099  -0.00219  -0.00335  -0.00168
   D29       -3.13647  -0.00003  -0.00092  -0.00620  -0.00768   3.13903
   D30       -3.12301  -0.00008   0.00152   0.00259   0.00433  -3.11868
   D31        0.02203   0.00001   0.00159  -0.00142   0.00000   0.02203
   D32       -0.00221   0.00022   0.00000   0.00416   0.00413   0.00192
   D33       -2.46287  -0.00040  -0.02059  -0.02579  -0.04782  -2.51069
   D34        3.13586   0.00012  -0.00005   0.00825   0.00856  -3.13877
   D35        0.67519  -0.00050  -0.02063  -0.02170  -0.04339   0.63180
   D36        1.15185  -0.00049  -0.04509   0.00961  -0.03616   1.11569
   D37        2.97560  -0.00052  -0.08694   0.00751  -0.08036   2.89524
   D38       -0.48546   0.00021  -0.08143   0.01559  -0.06641  -0.55187
   D39        2.06167   0.00028   0.01226   0.05897   0.07142   2.13309
   D40       -1.84233  -0.00026  -0.05809  -0.00436  -0.06375  -1.90608
   D41       -2.93246   0.00035  -0.00874   0.05288   0.04445  -2.88802
   D42       -1.10872   0.00032  -0.05059   0.05078   0.00024  -1.10848
   D43        1.71341   0.00105  -0.04508   0.05886   0.01419   1.72761
   D44       -2.02265   0.00112   0.04861   0.10224   0.15202  -1.87062
   D45        0.35654   0.00058  -0.02174   0.03891   0.01685   0.37339
   D46        0.88737   0.00096   0.04207   0.07618   0.11789   1.00526
   D47        3.02460   0.00034   0.03933   0.05932   0.09860   3.12320
   D48       -1.21110   0.00010   0.03528   0.05705   0.09245  -1.11864
   D49       -1.21909   0.00068   0.03838   0.07082   0.10846  -1.11063
   D50        0.91814   0.00006   0.03565   0.05396   0.08917   1.00731
   D51        2.96563  -0.00018   0.03159   0.05169   0.08302   3.04865
   D52        2.97496   0.00100   0.04020   0.07767   0.11817   3.09314
   D53       -1.17099   0.00038   0.03747   0.06081   0.09888  -1.07211
   D54        0.87650   0.00014   0.03341   0.05854   0.09273   0.96923
   D55       -1.01443  -0.00051   0.05305  -0.02865   0.02542  -0.98901
   D56        1.10366  -0.00027   0.05594  -0.03054   0.02595   1.12961
   D57       -3.11160  -0.00049   0.05251  -0.03329   0.02012  -3.09148
   D58        3.12211  -0.00001   0.05717  -0.01351   0.04401  -3.11706
   D59       -1.04298   0.00023   0.06005  -0.01540   0.04454  -0.99844
   D60        1.02494   0.00001   0.05663  -0.01814   0.03872   1.06365
   D61        1.09046   0.00016   0.05665  -0.01003   0.04694   1.13740
   D62       -3.07464   0.00041   0.05953  -0.01192   0.04747  -3.02717
   D63       -1.00672   0.00018   0.05611  -0.01466   0.04164  -0.96507
   D64       -0.43364  -0.00047   0.04517  -0.01907   0.02713  -0.40651
   D65        2.65419  -0.00049   0.05164  -0.03023   0.02150   2.67569
   D66       -2.59840   0.00019   0.04064  -0.00781   0.03383  -2.56457
   D67        0.48944   0.00017   0.04712  -0.01898   0.02819   0.51763
   D68        1.67154   0.00040   0.04970  -0.00748   0.04272   1.71426
   D69       -1.52382   0.00038   0.05618  -0.01865   0.03709  -1.48673
   D70        2.68702   0.00061   0.03112  -0.00563   0.02440   2.71142
   D71       -0.39755   0.00055   0.02470   0.00584   0.03024  -0.36731
   D72       -2.85842   0.00031   0.02309   0.01903   0.04034  -2.81808
   D73        0.22930   0.00026   0.02981   0.00755   0.03460   0.26389
   D74        0.42972  -0.00092  -0.09282  -0.02570  -0.11415   0.31557
   D75        0.54130  -0.00071  -0.11770  -0.05756  -0.17546   0.36584
   D76       -1.04166  -0.00005  -0.00084  -0.00024  -0.00113  -1.04279
   D77        1.07387   0.00012  -0.00031   0.00280   0.00223   1.07610
   D78        3.09624   0.00005   0.00183   0.00236   0.00412   3.10036
   D79       -3.12097  -0.00017  -0.00060  -0.00253  -0.00318  -3.12416
   D80       -1.00544   0.00000  -0.00007   0.00051   0.00018  -1.00526
   D81        1.01693  -0.00007   0.00208   0.00007   0.00207   1.01900
   D82        1.06223  -0.00003  -0.00052  -0.00002  -0.00018   1.06204
   D83       -3.10542   0.00015   0.00001   0.00303   0.00318  -3.10225
   D84       -1.08306   0.00007   0.00216   0.00259   0.00506  -1.07799
   D85        0.63903  -0.00052  -0.03258  -0.04328  -0.07628   0.56275
   D86       -2.62346  -0.00001  -0.03350  -0.01617  -0.04974  -2.67321
   D87       -1.47350  -0.00071  -0.03394  -0.04622  -0.08033  -1.55383
   D88        1.54719  -0.00020  -0.03487  -0.01912  -0.05379   1.49340
   D89        2.78247  -0.00054  -0.03678  -0.04443  -0.08152   2.70095
   D90       -0.48003  -0.00003  -0.03771  -0.01732  -0.05498  -0.53501
   D91        3.01930   0.00093   0.00055   0.06023   0.06115   3.08045
   D92        0.00069  -0.00009  -0.00321   0.00241  -0.00129  -0.00060
   D93       -0.01738   0.00054   0.00129   0.03681   0.03803   0.02065
   D94       -3.03599  -0.00048  -0.00247  -0.02100  -0.02441  -3.06040
   D95       -3.03244  -0.00099   0.00164  -0.05278  -0.05114  -3.08358
   D96        0.05637  -0.00017   0.00767  -0.01582  -0.00846   0.04791
   D97        0.01622  -0.00052   0.00084  -0.03173  -0.03075  -0.01453
   D98        3.10504   0.00031   0.00687   0.00523   0.01193   3.11697
   D99        0.01221  -0.00036  -0.00298  -0.02844  -0.03159  -0.01938
   D100       3.06593   0.00048   0.06940   0.01241   0.07820  -3.13906
   D101       3.03935   0.00052   0.00044   0.02474   0.02618   3.06554
   D102      -0.19011   0.00136   0.07282   0.06560   0.13597  -0.05414
   D103      -0.00935   0.00033  -0.00279   0.01542   0.01234   0.00299
   D104       3.07125   0.00083   0.00136   0.03244   0.03290   3.10415
   D105      -3.09762  -0.00052  -0.00872  -0.02214  -0.03080  -3.12842
   D106      -0.01702  -0.00003  -0.00457  -0.00512  -0.01024  -0.02726
   D107      -0.00161   0.00001   0.00349   0.00765   0.01143   0.00981
   D108      -3.06117  -0.00062  -0.05964  -0.02957  -0.09185   3.13017
   D109      -3.08144  -0.00046  -0.00059  -0.00930  -0.00914  -3.09058
   D110       0.14219  -0.00109  -0.06372  -0.04652  -0.11241   0.02978
   D111      -0.92527  -0.00017  -0.08076  -0.04113  -0.11971  -1.04498
   D112      -2.37923  -0.00089  -0.07756  -0.04028  -0.11759  -2.49682
   D113       0.51955  -0.00054  -0.08870  -0.04072  -0.12907   0.39048
   D114       2.34498  -0.00095  -0.09268  -0.04345  -0.13694   2.20804
   D115       1.71623  -0.00036  -0.01616   0.00682  -0.01056   1.70567
   D116       2.11497   0.00067  -0.00002   0.00539   0.00737   2.12235
   D117       0.66102  -0.00006   0.00317   0.00623   0.00949   0.67051
   D118      -2.72339   0.00030  -0.00796   0.00579  -0.00199  -2.72538
   D119      -0.89796  -0.00012  -0.01194   0.00307  -0.00986  -0.90782
   D120      -1.52671   0.00048   0.06458   0.05334   0.11652  -1.41019
   D121      -1.04678   0.00001   0.00127  -0.00194  -0.00053  -1.04731
   D122       3.10770  -0.00009  -0.00090  -0.00180  -0.00264   3.10505
   D123       1.07666  -0.00002  -0.00305  -0.00024  -0.00317   1.07349
   D124       1.06243   0.00001   0.00089  -0.00183  -0.00090   1.06154
   D125      -1.06628  -0.00010  -0.00127  -0.00168  -0.00301  -1.06929
   D126      -3.09732  -0.00003  -0.00342  -0.00012  -0.00354  -3.10086
   D127      -3.13650   0.00010   0.00091  -0.00042   0.00043  -3.13606
   D128       1.01797  -0.00001  -0.00126  -0.00027  -0.00168   1.01629
   D129      -1.01306   0.00006  -0.00341   0.00129  -0.00221  -1.01527
   D130      -0.08915  -0.00004   0.00273  -0.01160  -0.00899  -0.09815
   D131       3.06568  -0.00035  -0.00721  -0.01934  -0.02676   3.03892
   D132       2.03680  -0.00010   0.00560  -0.01439  -0.00876   2.02803
   D133      -1.09155  -0.00042  -0.00433  -0.02213  -0.02653  -1.11809
   D134      -2.20837   0.00000   0.00732  -0.01320  -0.00590  -2.21427
   D135       0.94646  -0.00032  -0.00261  -0.02095  -0.02366   0.92280
   D136      -3.13792  -0.00041  -0.00890  -0.01479  -0.02373   3.12154
   D137      -0.02031  -0.00035  -0.01419  -0.01443  -0.02847  -0.04878
   D138      -0.00774  -0.00014  -0.00034  -0.00805  -0.00842  -0.01617
   D139       3.10987  -0.00007  -0.00562  -0.00769  -0.01317   3.09670
   D140       3.13663   0.00044   0.00670   0.01671   0.02362  -3.12294
   D141       0.02692  -0.00005   0.00475  -0.00303   0.00187   0.02879
   D142       0.00526   0.00021  -0.00097   0.01081   0.00987   0.01513
   D143      -3.10445  -0.00028  -0.00292  -0.00893  -0.01188  -3.11633
   D144       0.00752   0.00001   0.00155   0.00237   0.00394   0.01146
   D145      -2.99034  -0.00008  -0.02062  -0.00994  -0.02995  -3.02029
   D146      -3.11256  -0.00003   0.00627   0.00218   0.00832  -3.10424
   D147       0.17277  -0.00012  -0.01589  -0.01013  -0.02556   0.14721
   D148      -0.00077  -0.00021   0.00199  -0.00984  -0.00786  -0.00863
   D149      -3.07992  -0.00080   0.00266  -0.03235  -0.02963  -3.10954
   D150       3.10882   0.00029   0.00390   0.01005   0.01398   3.12280
   D151       0.02968  -0.00030   0.00458  -0.01246  -0.00779   0.02189
   D152      -0.00405   0.00012  -0.00215   0.00461   0.00247  -0.00158
   D153       2.97912   0.00031   0.02038   0.01816   0.03889   3.01800
   D154       3.07541   0.00072  -0.00268   0.02695   0.02418   3.09959
   D155      -0.22461   0.00091   0.01985   0.04050   0.06060  -0.16401
   D156      -1.08067  -0.00056  -0.04228  -0.02048  -0.05985  -1.14052
   D157       0.49054  -0.00026  -0.03286  -0.01835  -0.05155   0.43899
   D158      -1.99504   0.00004  -0.00569  -0.00631  -0.01243  -2.00747
   D159       1.93291   0.00036  -0.01149  -0.00828  -0.02176   1.91114
   D160      -2.89722  -0.00065  -0.04832  -0.02518  -0.07422  -2.97144
   D161       2.24007  -0.00072  -0.06855  -0.03575  -0.10137   2.13870
   D162      -2.47191  -0.00042  -0.05913  -0.03362  -0.09307  -2.56497
   D163       1.32570  -0.00012  -0.03196  -0.02159  -0.05395   1.27175
   D164      -1.02954   0.00020  -0.03776  -0.02355  -0.06328  -1.09282
   D165       0.42352  -0.00081  -0.07459  -0.04045  -0.11574   0.30778
   D166       1.23922   0.00039   0.02097   0.00784   0.02543   1.26465
   D167      -2.36028   0.00088   0.03560   0.02832   0.05954  -2.30074
   D168      -0.35369   0.00021   0.01974   0.00490   0.02676  -0.32693
   D169       2.33000   0.00070   0.03438   0.02538   0.06086   2.39086
   D170       2.15472  -0.00005  -0.01502  -0.00664  -0.02086   2.13387
   D171      -1.44478   0.00044  -0.00038   0.01384   0.01325  -1.43152
   D172      -1.80880  -0.00025  -0.00919  -0.00345  -0.00887  -1.81767
   D173       0.87489   0.00024   0.00545   0.01703   0.02524   0.90013
   D174       3.07347   0.00054   0.03558   0.00730   0.04425   3.11772
   D175      -0.52603   0.00103   0.05021   0.02778   0.07836  -0.44767
   D176       2.25783  -0.00031  -0.06387   0.00333  -0.06226   2.19557
   D177      -3.10520   0.00037  -0.00847   0.05202   0.04261  -3.06259
   D178       1.35301   0.00038   0.03388   0.05403   0.08727   1.44028
   D179      -1.49636  -0.00010   0.03489   0.04909   0.08212  -1.41425
   D180      -0.14095   0.00029   0.00454   0.06532   0.07100  -0.06996
   D181       2.02490  -0.00183  -0.00927  -0.05092  -0.06384   1.96106
   D182      -0.60149  -0.00161  -0.07486  -0.10025  -0.17502  -0.77651
   D183      -2.82985  -0.00113  -0.00846  -0.05534  -0.06335  -2.89320
   D184       0.63052  -0.00157   0.00670  -0.05601  -0.05019   0.58033
   D185      -1.22900  -0.00116  -0.00417  -0.05240  -0.05482  -1.28382
   D186       2.89640  -0.00011   0.05481   0.01815   0.07524   2.97164
   D187      -0.10602   0.00011   0.04898   0.01424   0.06507  -0.04095
   D188       3.03341   0.00013   0.05625   0.02315   0.08078   3.11419
   D189      -0.54802   0.00038   0.06787   0.04181   0.11075  -0.43727
   D190       0.86700  -0.00063  -0.00304  -0.02643  -0.03150   0.83551
   D191      -2.31636   0.00000  -0.00545  -0.01383  -0.02097  -2.33733
   D192       0.09114   0.00007   0.00260  -0.03593  -0.03384   0.05730
   D193      -3.06266   0.00043  -0.00943  -0.00853  -0.01821  -3.08087
   D194      -3.01009  -0.00055   0.00492  -0.04818  -0.04407  -3.05416
   D195       0.11930  -0.00019  -0.00711  -0.02078  -0.02844   0.09086
   D196      -1.06376  -0.00040  -0.00407  -0.01088  -0.01509  -1.07884
   D197       0.97438  -0.00015  -0.00327  -0.00791  -0.01131   0.96307
   D198       3.11306  -0.00052  -0.00241  -0.01391  -0.01645   3.09660
   D199       2.03778   0.00022  -0.00671   0.00160  -0.00497   2.03281
   D200      -2.20726   0.00046  -0.00590   0.00457  -0.00120  -2.20846
   D201      -0.06859   0.00009  -0.00505  -0.00143  -0.00634  -0.07493
   D202      -1.47346   0.00138   0.02124   0.04055   0.06201  -1.41145
   D203       0.57450   0.00064   0.01895   0.03882   0.05775   0.63225
   D204       2.63230   0.00074   0.02077   0.04114   0.06185   2.69416
   D205       1.68029   0.00102   0.03326   0.01329   0.04645   1.72674
   D206      -2.55494   0.00028   0.03096   0.01156   0.04218  -2.51275
   D207      -0.49713   0.00038   0.03278   0.01388   0.04629  -0.45084
   D208       0.57997   0.00047   0.02456   0.00748   0.03135   0.61132
   D209      -2.64438   0.00031   0.02307   0.01988   0.04195  -2.60244
   D210      -1.49833   0.00039   0.02584   0.00604   0.03172  -1.46660
   D211       1.56050   0.00023   0.02434   0.01844   0.04231   1.60282
   D212       2.73749   0.00036   0.02824   0.00203   0.03013   2.76762
   D213      -0.48686   0.00020   0.02675   0.01442   0.04073  -0.44614
   D214       1.07452  -0.00013   0.00269   0.00660   0.00697   1.08149
   D215      -1.97712   0.00000   0.00441  -0.00710  -0.00465  -1.98177
   D216      -0.01004  -0.00004  -0.03005  -0.01034  -0.04026  -0.05030
   D217      -2.88424  -0.00027   0.03455  -0.03693  -0.00231  -2.88656
   D218       3.04676  -0.00024  -0.03140   0.00160  -0.02987   3.01690
   D219       0.17256  -0.00046   0.03320  -0.02499   0.00808   0.18064
   D220      -2.16460   0.00009  -0.03420   0.01018  -0.02392  -2.18851
   D221      -0.06598  -0.00009  -0.03268   0.00727  -0.02531  -0.09129
   D222       2.00471   0.00013  -0.03471   0.01126  -0.02335   1.98136
   D223       1.23913  -0.00006   0.02894  -0.01514   0.01370   1.25283
   D224      -2.94543  -0.00024   0.03046  -0.01805   0.01230  -2.93313
   D225      -0.87475  -0.00001   0.02843  -0.01407   0.01426  -0.86049
         Item               Value     Threshold  Converged?
 Maximum Force            0.008778     0.000450     NO 
 RMS     Force            0.000832     0.000300     NO 
 Maximum Displacement     0.748659     0.001800     NO 
 RMS     Displacement     0.139042     0.001200     NO 
 Predicted change in Energy=-3.371090D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.267572    2.742326    3.339146
      2          6           0       -3.584042    1.374550    3.581279
      3          6           0       -2.211676    1.205371    2.967835
      4          6           0       -1.644984    1.494330    1.730508
      5          7           0       -1.194250    0.533818    3.667859
      6          6           0       -0.084620    0.443655    2.857492
      7          7           0       -0.322775    1.016299    1.669663
      8          6           0       -5.361654    0.767905    0.085308
      9          6           0       -5.856786   -0.189168   -1.023799
     10          6           0       -5.140065   -1.560509   -1.029261
     11          6           0       -3.631985   -1.415941   -1.159459
     12          8           0       -3.102755   -0.381072   -1.673120
     13          8           0       -2.889045   -2.415431   -0.634720
     14          6           0       -2.411322    3.842441   -3.315792
     15          6           0       -1.051139    3.490029   -3.963264
     16          6           0       -0.174869    2.649735   -3.071302
     17          6           0       -0.473135    1.685766   -2.120965
     18          7           0        1.226824    2.652351   -3.152729
     19          6           0        1.724108    1.730276   -2.261384
     20          7           0        0.714857    1.133794   -1.615265
     21          6           0        4.491420    4.141151    1.229520
     22          6           0        5.065641    2.860390    1.871966
     23          6           0        4.201322    1.663253    1.588467
     24          6           0        2.973473    1.552982    0.960455
     25          7           0        4.541480    0.345871    1.947370
     26          6           0        3.547359   -0.501486    1.520528
     27          7           0        2.586115    0.208070    0.917817
     28         30           0        0.926620   -0.415956   -0.113075
     29          1           0       -5.250292    2.760636    3.824445
     30          1           0       -4.419072    2.925136    2.268800
     31          1           0       -3.664874    3.563497    3.744317
     32          1           0       -4.243669    0.580019    3.202973
     33          1           0       -3.501817    1.212674    4.666795
     34          1           0       -2.091850    2.007616    0.893954
     35          1           0       -1.268243    0.196749    4.618936
     36          1           0        0.839344   -0.025820    3.155622
     37          1           0       -4.286324    0.942444   -0.001671
     38          1           0       -5.576344    0.361021    1.085143
     39          1           0       -5.869723    1.738799    0.008451
     40          1           0       -6.935238   -0.362398   -0.902270
     41          1           0       -5.713455    0.289171   -2.000769
     42          1           0       -5.346722   -2.133629   -0.117782
     43          1           0       -5.501161   -2.171398   -1.870314
     44          1           0       -2.976463    2.935294   -3.072138
     45          1           0       -3.018502    4.437639   -4.007589
     46          1           0       -2.271489    4.419922   -2.394521
     47          1           0       -1.233984    2.947869   -4.902767
     48          1           0       -0.523274    4.415678   -4.236192
     49          1           0       -1.447633    1.333141   -1.821001
     50          1           0        1.774824    3.233108   -3.774349
     51          1           0        2.770634    1.504333   -2.142039
     52          1           0        4.417819    4.037740    0.140125
     53          1           0        3.493655    4.370803    1.622677
     54          1           0        5.139934    4.997497    1.444565
     55          1           0        5.163358    3.005370    2.957952
     56          1           0        6.081159    2.684792    1.486078
     57          1           0        2.337779    2.325283    0.563980
     58          1           0        5.377871    0.070505    2.446932
     59          1           0        3.521563   -1.567456    1.679903
     60          8           0       -0.857206   -1.174347   -0.360891
     61          1           0       -1.365169   -0.464453   -0.820767
     62          1           0       -1.778561   -1.984840   -0.492129
     63          6           0        2.806832   -2.559227   -1.796658
     64          8           0        2.210199   -1.441914   -1.688662
     65          7           0        2.181529   -3.736123   -1.501707
     66          6           0        0.771363   -3.797680   -1.111977
     67          6           0        0.530261   -3.458916    0.368286
     68          8           0        1.238800   -2.582790    0.962043
     69          7           0       -0.523382   -4.085747    0.942459
     70          1           0        0.212897   -3.042234   -1.680033
     71          1           0        0.372424   -4.785536   -1.364947
     72          1           0        2.709155   -4.599235   -1.550231
     73          1           0       -1.098253   -4.688052    0.360945
     74          6           0       -1.107934   -3.675933    2.231638
     75          1           0       -1.134730   -4.521795    2.927644
     76          1           0       -0.493241   -2.876977    2.648679
     77          1           0       -2.121768   -3.298904    2.058039
     78          6           0        4.234622   -2.637179   -2.298849
     79          1           0        4.267556   -2.247755   -3.323107
     80          1           0        4.875077   -1.995437   -1.684893
     81          1           0        4.637768   -3.654756   -2.298958
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0964707      0.0714424      0.0660180
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4894.8086946585 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33631 LenP2D=  121841.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.51D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999594    0.027905    0.004727    0.003324 Ang=   3.27 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.94645638     A.U. after   12 cycles
            NFock= 12  Conv=0.62D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33631 LenP2D=  121841.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000164632   -0.000247275    0.000456980
      3        6          -0.000878790    0.001026670    0.001002944
      4        6          -0.000950836   -0.000346731    0.000442893
      5        7           0.000890892   -0.000603224    0.000452910
      6        6           0.000979054   -0.001565630    0.000735676
      7        7          -0.001626732    0.002729435   -0.001748115
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000347923    0.000317765   -0.000004060
     10        6           0.000134948   -0.000883014   -0.000997382
     11        6          -0.004308252    0.007397323    0.002293012
     12        8          -0.001049305   -0.002319920   -0.000062154
     13        8           0.004274987   -0.005482618   -0.000725376
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000619823   -0.000153717    0.000540645
     16        6          -0.000240940    0.001872818   -0.003251288
     17        6           0.000712757   -0.000594311    0.001962544
     18        7          -0.000435212   -0.000320214    0.001126452
     19        6           0.001894012   -0.000970542   -0.002153633
     20        7          -0.002245557    0.001406534    0.001475416
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000167939   -0.000012430   -0.000371421
     23        6          -0.000448960    0.000603006    0.001096829
     24        6          -0.000432356    0.000482466   -0.000561224
     25        7          -0.000439861   -0.000690635   -0.000730762
     26        6           0.001414605    0.000900846    0.001944568
     27        7          -0.001967814   -0.000395655    0.000057829
     28       30           0.004401226   -0.001656218   -0.000785354
     29        1           0.000049771   -0.000044028    0.000080028
     30        1          -0.000025957   -0.000002916    0.000025249
     31        1           0.000044008   -0.000116454    0.000123187
     32        1          -0.000021168   -0.000197901   -0.000158440
     33        1           0.000114011    0.000113917   -0.000165247
     34        1           0.000014181    0.000655887   -0.000121937
     35        1           0.000020630    0.000068026   -0.000001783
     36        1           0.000297508    0.000251203   -0.000159995
     37        1          -0.000544401    0.000003431   -0.000372563
     38        1          -0.000444541   -0.000027397   -0.000537528
     39        1           0.000406950    0.000423046    0.000030023
     40        1           0.000372639   -0.000085210   -0.000351936
     41        1          -0.000380599   -0.000120510    0.000184400
     42        1           0.000065777   -0.000081333    0.000485827
     43        1           0.000335288   -0.000087408    0.000122845
     44        1           0.000057010    0.000179639    0.000111281
     45        1          -0.000146685   -0.000120071    0.000015632
     46        1           0.000072014   -0.000080743    0.000157798
     47        1           0.000113020   -0.000284723   -0.000162166
     48        1          -0.000035451   -0.000023179    0.000377209
     49        1           0.000040425   -0.000603895    0.000538688
     50        1          -0.000186106   -0.000121264    0.000209218
     51        1           0.000169115   -0.000115622    0.000452889
     52        1          -0.000074032   -0.000108444   -0.000051121
     53        1          -0.000177319    0.000080310    0.000030967
     54        1          -0.000005716   -0.000014572   -0.000037943
     55        1           0.000082482   -0.000240373    0.000093870
     56        1          -0.000024129    0.000150349    0.000265017
     57        1          -0.000267790   -0.000184762    0.000223202
     58        1          -0.000051434    0.000039194   -0.000215825
     59        1          -0.000478152   -0.000296875   -0.000962054
     60        8           0.001912432   -0.002802236   -0.008341331
     61        1           0.001581243   -0.000627350   -0.000556139
     62        1          -0.000885521    0.003664003    0.004417327
     63        6           0.002010257    0.000373009    0.000169904
     64        8          -0.002034789    0.001055117    0.003327327
     65        7           0.000044200   -0.000616227    0.000360395
     66        6           0.000108390    0.000270439   -0.000586386
     67        6           0.000583245    0.000885571    0.002072670
     68        8          -0.002426681   -0.001112138   -0.001383444
     69        7           0.001543937   -0.001118849    0.000229253
     70        1          -0.000194805    0.000308736    0.000059892
     71        1          -0.000449025   -0.000182361   -0.000075113
     72        1          -0.000054869   -0.000102570   -0.000423030
     73        1          -0.000535055    0.000232636   -0.000170387
     74        6          -0.000508856   -0.000247193   -0.001111637
     75        1           0.000156014   -0.000015814    0.000081725
     76        1          -0.000203239    0.000076288    0.000095872
     77        1           0.000080636    0.000231240    0.000484773
     78        6           0.000093947   -0.000131878   -0.000729511
     79        1          -0.000232975    0.000038525    0.000011395
     80        1           0.000109617    0.000158566    0.000179847
     81        1          -0.000080371    0.000044447    0.000106314
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008341331 RMS     0.001287161

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005758324 RMS     0.000515922
 Search for a local minimum.
 Step number   7 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    6    7
 DE= -3.68D-03 DEPred=-3.37D-03 R= 1.09D+00
 TightC=F SS=  1.41D+00  RLast= 8.03D-01 DXNew= 4.0363D+00 2.4100D+00
 Trust test= 1.09D+00 RLast= 8.03D-01 DXMaxT set to 2.41D+00
 ITU=  1  1  1  1  0  1  0
     Eigenvalues ---    0.00225   0.00230   0.00230   0.00230   0.00319
     Eigenvalues ---    0.00372   0.00435   0.00499   0.00528   0.00571
     Eigenvalues ---    0.00607   0.00663   0.00713   0.00755   0.00787
     Eigenvalues ---    0.00827   0.00858   0.01082   0.01100   0.01188
     Eigenvalues ---    0.01297   0.01358   0.01369   0.01412   0.01454
     Eigenvalues ---    0.01498   0.01522   0.01635   0.01695   0.01718
     Eigenvalues ---    0.01811   0.01833   0.01847   0.01869   0.01921
     Eigenvalues ---    0.01944   0.02039   0.02101   0.02116   0.02144
     Eigenvalues ---    0.02164   0.02175   0.02261   0.02285   0.02292
     Eigenvalues ---    0.02337   0.02646   0.03115   0.03349   0.03586
     Eigenvalues ---    0.03695   0.03837   0.03889   0.04074   0.04170
     Eigenvalues ---    0.04433   0.04715   0.04896   0.05165   0.05357
     Eigenvalues ---    0.05369   0.05386   0.05402   0.05418   0.05420
     Eigenvalues ---    0.05503   0.05518   0.05528   0.05529   0.05547
     Eigenvalues ---    0.05621   0.06417   0.06441   0.06883   0.06947
     Eigenvalues ---    0.07331   0.07437   0.07489   0.07697   0.08136
     Eigenvalues ---    0.08426   0.08815   0.09187   0.09226   0.09431
     Eigenvalues ---    0.09461   0.09888   0.10047   0.10615   0.11198
     Eigenvalues ---    0.11920   0.12326   0.12612   0.12749   0.12880
     Eigenvalues ---    0.12979   0.13207   0.14852   0.15558   0.15773
     Eigenvalues ---    0.15956   0.15980   0.15983   0.15990   0.15993
     Eigenvalues ---    0.15997   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16012
     Eigenvalues ---    0.16020   0.16053   0.16107   0.16605   0.17153
     Eigenvalues ---    0.18631   0.19110   0.19368   0.20264   0.21166
     Eigenvalues ---    0.21444   0.21515   0.22065   0.22108   0.22180
     Eigenvalues ---    0.22617   0.22790   0.22907   0.22954   0.23421
     Eigenvalues ---    0.23562   0.23756   0.24384   0.24780   0.24891
     Eigenvalues ---    0.24974   0.25039   0.26361   0.26978   0.27471
     Eigenvalues ---    0.27733   0.27952   0.28170   0.28341   0.30205
     Eigenvalues ---    0.30609   0.31029   0.31411   0.31713   0.31728
     Eigenvalues ---    0.33563   0.33611   0.33619   0.33652   0.33663
     Eigenvalues ---    0.33713   0.33782   0.33814   0.33870   0.33900
     Eigenvalues ---    0.33924   0.33929   0.33946   0.33983   0.33986
     Eigenvalues ---    0.33991   0.34032   0.34047   0.34074   0.34075
     Eigenvalues ---    0.34096   0.34131   0.34171   0.34177   0.34182
     Eigenvalues ---    0.34211   0.34248   0.34256   0.34301   0.34610
     Eigenvalues ---    0.35616   0.35701   0.35753   0.36008   0.36221
     Eigenvalues ---    0.36323   0.36334   0.36433   0.38483   0.39307
     Eigenvalues ---    0.39510   0.41855   0.42423   0.42508   0.45093
     Eigenvalues ---    0.45213   0.45295   0.45465   0.45529   0.45582
     Eigenvalues ---    0.45590   0.45638   0.47127   0.48967   0.49125
     Eigenvalues ---    0.49306   0.49645   0.49946   0.52333   0.54450
     Eigenvalues ---    0.54855   0.54917   0.55597   0.71700   0.73164
     Eigenvalues ---    0.761741000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     7    6
 RFO step:  Lambda=-4.00520026D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.31359   -0.31359
 Iteration  1 RMS(Cart)=  0.08479581 RMS(Int)=  0.00279196
 Iteration  2 RMS(Cart)=  0.00492014 RMS(Int)=  0.00053261
 Iteration  3 RMS(Cart)=  0.00004635 RMS(Int)=  0.00053237
 Iteration  4 RMS(Cart)=  0.00000015 RMS(Int)=  0.00053237
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48439   0.00021   0.00000   0.00000   0.00000   8.48439
    Y1       -0.92759  -0.00044   0.00000   0.00000   0.00000  -0.92759
    Z1        7.47494   0.00040   0.00000   0.00000   0.00000   7.47494
    X8       10.19820  -0.00058   0.00000   0.00000   0.00000  10.19820
    Y8        1.20620   0.00016   0.00000   0.00000   0.00000   1.20620
    Z8        0.50973  -0.00058   0.00000   0.00000   0.00000   0.50973
   X14        7.21032   0.00123   0.00000   0.00000   0.00000   7.21032
   Y14       -7.64137  -0.00013   0.00000   0.00000   0.00000  -7.64137
   Z14       -3.84250   0.00075   0.00000   0.00000   0.00000  -3.84250
   X21       -6.13874  -0.00057   0.00000   0.00000   0.00000  -6.13874
   Y21       -9.38870   0.00030   0.00000   0.00000   0.00000  -9.38870
   Z21        4.09470   0.00007   0.00000   0.00000   0.00000   4.09470
    R1        2.92551  -0.00032   0.00014   0.00015  -0.00006   2.92545
    R2        2.07146   0.00006  -0.00003   0.00013   0.00003   2.07149
    R3        2.07183  -0.00003   0.00002  -0.00008   0.00051   2.07233
    R4        2.07158   0.00014  -0.00012   0.00040  -0.00004   2.07155
    R5        2.85863   0.00006  -0.00021   0.00053   0.00037   2.85900
    R6        2.07827  -0.00007   0.00003  -0.00020  -0.00017   2.07810
    R7        2.07982  -0.00013  -0.00015  -0.00044  -0.00060   2.07923
    R8        2.62911   0.00069   0.00040   0.00061   0.00173   2.63084
    R9        2.65651  -0.00157   0.00047  -0.00253  -0.00273   2.65378
   R10        2.65938  -0.00022   0.00017  -0.00212  -0.00129   2.65809
   R11        2.03791  -0.00028   0.00035  -0.00097  -0.00062   2.03729
   R12        2.60214   0.00029   0.00003   0.00222   0.00157   2.60371
   R13        1.91193   0.00004  -0.00008   0.00009   0.00001   1.91194
   R14        2.53222   0.00000  -0.00084  -0.00083  -0.00147   2.53075
   R15        2.03793  -0.00025   0.00023  -0.00054  -0.00031   2.03762
   R16        4.92436  -0.00045  -0.00121  -0.01073  -0.01164   4.91272
   R17        2.92222  -0.00037   0.00075  -0.00199  -0.00176   2.92046
   R18        2.06522   0.00050  -0.00159   0.00139  -0.00014   2.06508
   R19        2.07983  -0.00041   0.00065  -0.00125  -0.00035   2.07948
   R20        2.07584   0.00000   0.00012   0.00019   0.00028   2.07612
   R21        2.92407  -0.00062   0.00004  -0.00443  -0.00437   2.91970
   R22        2.07684   0.00026   0.00047   0.00105   0.00152   2.07836
   R23        2.07339  -0.00008   0.00000  -0.00032  -0.00032   2.07306
   R24        2.87348  -0.00018  -0.00106  -0.00174  -0.00272   2.87076
   R25        2.07179   0.00023   0.00041   0.00083   0.00124   2.07303
   R26        2.07951  -0.00006  -0.00002  -0.00010  -0.00012   2.07940
   R27        2.40143   0.00233   0.00066   0.00322   0.00409   2.40552
   R28        2.55378  -0.00576   0.00125  -0.00762  -0.00633   2.54745
   R29        3.66074  -0.00146  -0.00024  -0.01934  -0.01922   3.64152
   R30        2.26682  -0.00027  -0.01346  -0.00425  -0.01797   2.24885
   R31        2.92359  -0.00128   0.00074  -0.00350  -0.00313   2.92046
   R32        2.07153   0.00018  -0.00026   0.00047   0.00026   2.07179
   R33        2.07139  -0.00005   0.00004  -0.00022  -0.00034   2.07106
   R34        2.07162   0.00017  -0.00004   0.00049   0.00074   2.07236
   R35        2.84687  -0.00035   0.00024  -0.00117  -0.00079   2.84608
   R36        2.07873   0.00010  -0.00010   0.00039   0.00029   2.07902
   R37        2.07866   0.00004   0.00006   0.00015   0.00021   2.07887
   R38        2.61939   0.00035  -0.00035  -0.00027  -0.00031   2.61908
   R39        2.65329  -0.00038   0.00003  -0.00071  -0.00096   2.65233
   R40        2.65352   0.00062   0.00156   0.00168   0.00362   2.65715
   R41        2.03878  -0.00026   0.00034  -0.00059  -0.00024   2.03853
   R42        2.59932  -0.00127  -0.00033  -0.00240  -0.00299   2.59634
   R43        1.91226   0.00007   0.00000   0.00021   0.00021   1.91247
   R44        2.52959   0.00044   0.00049   0.00080   0.00140   2.53099
   R45        2.03575  -0.00016  -0.00001  -0.00037  -0.00038   2.03537
   R46        4.09820  -0.00075  -0.01527  -0.01090  -0.02599   4.07221
   R47        2.91705   0.00047   0.00019   0.00135   0.00160   2.91865
   R48        2.07258   0.00006   0.00004   0.00022   0.00034   2.07292
   R49        2.07255  -0.00013   0.00005  -0.00041  -0.00053   2.07202
   R50        2.07021   0.00000   0.00002   0.00002   0.00010   2.07032
   R51        2.84123   0.00012  -0.00025   0.00061   0.00029   2.84152
   R52        2.07864   0.00004  -0.00028   0.00012  -0.00016   2.07848
   R53        2.07958  -0.00012   0.00006  -0.00046  -0.00040   2.07918
   R54        2.61451  -0.00015  -0.00099   0.00044  -0.00076   2.61375
   R55        2.65909  -0.00016   0.00028  -0.00070  -0.00044   2.65865
   R56        2.64606  -0.00034  -0.00104  -0.00084  -0.00195   2.64410
   R57        2.03332  -0.00013  -0.00041  -0.00055  -0.00096   2.03236
   R58        2.59690   0.00063   0.00031   0.00114   0.00155   2.59845
   R59        1.91315  -0.00002  -0.00004  -0.00009  -0.00012   1.91302
   R60        2.52879  -0.00002   0.00020  -0.00024   0.00004   2.52883
   R61        2.03736   0.00002   0.00001   0.00002   0.00003   2.03739
   R62        3.87558   0.00199  -0.00057   0.02191   0.02125   3.89684
   R63        3.69276   0.00167  -0.00103   0.00970   0.00881   3.70157
   R64        4.30204  -0.00202  -0.00853  -0.03079  -0.03970   4.26234
   R65        4.60896   0.00000  -0.00058  -0.00738  -0.00876   4.60020
   R66        1.86448   0.00055  -0.00061   0.00145   0.00096   1.86544
   R67        2.33212   0.00044  -0.01331  -0.00267  -0.01625   2.31587
   R68        2.40227  -0.00101  -0.00073  -0.00202  -0.00244   2.39984
   R69        2.57938  -0.00082   0.00151  -0.00093   0.00100   2.58038
   R70        2.86395   0.00021  -0.00038   0.00100   0.00062   2.86457
   R71        2.76717  -0.00041   0.00169   0.00011   0.00191   2.76908
   R72        1.91386   0.00012  -0.00022   0.00027   0.00004   1.91390
   R73        2.90555   0.00046   0.00101   0.00202   0.00387   2.90943
   R74        2.07463  -0.00035   0.00003  -0.00089  -0.00086   2.07377
   R75        2.06923  -0.00018  -0.00033  -0.00074  -0.00107   2.06816
   R76        2.40684  -0.00004  -0.00179  -0.00082  -0.00233   2.40451
   R77        2.55830  -0.00046   0.00148  -0.00107   0.00040   2.55870
   R78        1.91917   0.00000   0.00015   0.00014   0.00030   1.91947
   R79        2.78479  -0.00058   0.00099  -0.00163  -0.00065   2.78414
   R80        2.07063  -0.00003  -0.00013  -0.00018  -0.00031   2.07032
   R81        2.06153   0.00008   0.00006   0.00032   0.00038   2.06191
   R82        2.07022   0.00005   0.00002   0.00018   0.00020   2.07042
   R83        2.07168  -0.00007   0.00010  -0.00025  -0.00015   2.07153
   R84        2.06919  -0.00001  -0.00017  -0.00008  -0.00025   2.06894
   R85        2.06836   0.00005   0.00007   0.00018   0.00024   2.06860
    A1        1.91914   0.00006   0.00002   0.00030   0.00047   1.91961
    A2        1.94016  -0.00003  -0.00042  -0.00011  -0.00073   1.93943
    A3        1.94043   0.00011   0.00006   0.00055   0.00090   1.94133
    A4        1.88131  -0.00001   0.00030   0.00003   0.00000   1.88131
    A5        1.89309  -0.00011  -0.00001  -0.00071  -0.00046   1.89264
    A6        1.88799  -0.00003   0.00006  -0.00010  -0.00021   1.88777
    A7        2.02188   0.00004   0.00030  -0.00057   0.00005   2.02193
    A8        1.89618  -0.00007   0.00000  -0.00354  -0.00328   1.89290
    A9        1.89357   0.00005   0.00047   0.00374   0.00370   1.89727
   A10        1.90059  -0.00014  -0.00216  -0.00306  -0.00533   1.89526
   A11        1.89203   0.00010   0.00096   0.00340   0.00428   1.89631
   A12        1.85232   0.00002   0.00048   0.00014   0.00066   1.85299
   A13        2.35598  -0.00035  -0.00125  -0.00458  -0.00479   2.35119
   A14        2.10376   0.00049   0.00017   0.00518   0.00414   2.10790
   A15        1.82068  -0.00014   0.00068  -0.00115  -0.00047   1.82021
   A16        1.92901   0.00078  -0.00189   0.00334   0.00147   1.93047
   A17        2.23950  -0.00054  -0.00002  -0.00242  -0.00251   2.23699
   A18        2.11468  -0.00024   0.00192  -0.00089   0.00097   2.11565
   A19        1.89806  -0.00031   0.00023  -0.00123  -0.00101   1.89704
   A20        2.18258   0.00014  -0.00046   0.00031  -0.00016   2.18242
   A21        2.20227   0.00018   0.00019   0.00114   0.00131   2.20358
   A22        1.92888   0.00108  -0.00119   0.00242   0.00204   1.93092
   A23        2.16064  -0.00062   0.00079  -0.00163  -0.00126   2.15938
   A24        2.19367  -0.00045   0.00040  -0.00080  -0.00081   2.19286
   A25        1.84816  -0.00142   0.00217  -0.00338  -0.00207   1.84609
   A26        2.30064   0.00001   0.00209   0.00260   0.00486   2.30550
   A27        1.86121   0.00181   0.01437   0.03306   0.04481   1.90602
   A28        1.93565  -0.00048   0.00053  -0.00411  -0.00345   1.93220
   A29        1.93939  -0.00025  -0.00124  -0.00341  -0.00464   1.93474
   A30        1.92703  -0.00015  -0.00157   0.00011  -0.00129   1.92575
   A31        1.89999   0.00016   0.00271  -0.00100   0.00149   1.90148
   A32        1.88427   0.00053   0.00061   0.00678   0.00739   1.89166
   A33        1.87558   0.00025  -0.00096   0.00211   0.00098   1.87656
   A34        1.98530  -0.00060   0.00163  -0.00772  -0.00581   1.97949
   A35        1.90969   0.00032  -0.00330   0.00500   0.00165   1.91134
   A36        1.90391   0.00002   0.00209  -0.00223  -0.00035   1.90356
   A37        1.89149   0.00005  -0.00367   0.00201  -0.00175   1.88974
   A38        1.89940   0.00032   0.00424   0.00202   0.00614   1.90555
   A39        1.87064  -0.00010  -0.00105   0.00144   0.00046   1.87110
   A40        1.95566   0.00002   0.00436  -0.00373   0.00083   1.95649
   A41        1.95309  -0.00029  -0.00383  -0.00512  -0.00879   1.94430
   A42        1.92058  -0.00017   0.00310   0.00185   0.00467   1.92525
   A43        1.88371   0.00013  -0.00018  -0.00002  -0.00034   1.88337
   A44        1.88892   0.00017  -0.00258   0.00545   0.00280   1.89171
   A45        1.85810   0.00017  -0.00117   0.00218   0.00106   1.85915
   A46        2.12359  -0.00136  -0.00103  -0.00458  -0.00553   2.11807
   A47        2.02826   0.00135   0.00113   0.00554   0.00691   2.03517
   A48        2.12974   0.00004  -0.00019   0.00023  -0.00048   2.12926
   A49        1.73214  -0.00005  -0.00068   0.00355   0.00249   1.73463
   A50        1.86461   0.00139   0.00340   0.00071   0.00275   1.86736
   A51        1.93668   0.00015   0.00049   0.00171   0.00229   1.93898
   A52        1.92470  -0.00023   0.00010  -0.00237  -0.00207   1.92263
   A53        1.93859   0.00009  -0.00089   0.00019  -0.00075   1.93784
   A54        1.87974   0.00009   0.00021   0.00136   0.00164   1.88139
   A55        1.89114  -0.00009   0.00045   0.00000   0.00021   1.89135
   A56        1.89126  -0.00002  -0.00034  -0.00087  -0.00131   1.88995
   A57        1.97214  -0.00058  -0.00012  -0.00493  -0.00450   1.96763
   A58        1.90030   0.00003   0.00082   0.00108   0.00162   1.90192
   A59        1.91140   0.00018  -0.00077  -0.00044  -0.00129   1.91011
   A60        1.90440   0.00044   0.00044   0.00561   0.00591   1.91032
   A61        1.91469   0.00001  -0.00078  -0.00207  -0.00301   1.91168
   A62        1.85731  -0.00004   0.00047   0.00116   0.00169   1.85900
   A63        2.30322   0.00043   0.00008   0.00083   0.00076   2.30398
   A64        2.14755  -0.00069   0.00061   0.00126   0.00069   2.14824
   A65        1.82955   0.00032  -0.00011   0.00225   0.00135   1.83090
   A66        1.91584  -0.00017  -0.00024   0.00050   0.00018   1.91602
   A67        2.22975  -0.00016  -0.00048  -0.00299  -0.00366   2.22609
   A68        2.13599   0.00031   0.00228   0.00140   0.00343   2.13941
   A69        1.89873  -0.00025   0.00085  -0.00250  -0.00180   1.89693
   A70        2.18624   0.00030   0.00014   0.00256   0.00263   2.18887
   A71        2.19816  -0.00006  -0.00060  -0.00025  -0.00092   2.19724
   A72        1.91656   0.00101  -0.00054   0.00443   0.00414   1.92071
   A73        2.16953  -0.00043  -0.00097  -0.00186  -0.00308   2.16646
   A74        2.19631  -0.00057   0.00183  -0.00217  -0.00056   2.19574
   A75        1.86386  -0.00088   0.00001  -0.00338  -0.00419   1.85967
   A76        2.23062   0.00009  -0.00740  -0.00946  -0.01733   2.21329
   A77        2.18849   0.00080   0.00840   0.01224   0.01838   2.20687
   A78        1.93920   0.00007  -0.00063   0.00076   0.00006   1.93926
   A79        1.94224  -0.00020   0.00032  -0.00155  -0.00115   1.94109
   A80        1.92481   0.00002   0.00071   0.00004   0.00070   1.92550
   A81        1.89100   0.00011   0.00008   0.00146   0.00160   1.89260
   A82        1.88431  -0.00007  -0.00029  -0.00057  -0.00095   1.88336
   A83        1.88021   0.00006  -0.00020  -0.00011  -0.00025   1.87996
   A84        1.94799  -0.00024  -0.00199  -0.00048  -0.00265   1.94533
   A85        1.91196  -0.00010   0.00036  -0.00188  -0.00157   1.91040
   A86        1.90681   0.00017   0.00010   0.00104   0.00131   1.90812
   A87        1.92003   0.00021   0.00137   0.00175   0.00317   1.92320
   A88        1.91487   0.00006   0.00032   0.00066   0.00103   1.91590
   A89        1.86007  -0.00009  -0.00008  -0.00112  -0.00122   1.85884
   A90        2.29059  -0.00111  -0.00250  -0.00423  -0.00701   2.28357
   A91        2.16323   0.00128   0.00235   0.00475   0.00728   2.17051
   A92        1.82936  -0.00017   0.00017  -0.00058  -0.00055   1.82881
   A93        1.91334   0.00055   0.00036   0.00200   0.00241   1.91575
   A94        2.25799  -0.00065  -0.00127  -0.00405  -0.00539   2.25259
   A95        2.11151   0.00010   0.00087   0.00172   0.00251   2.11401
   A96        1.89989  -0.00015  -0.00046  -0.00062  -0.00113   1.89876
   A97        2.18979   0.00018   0.00053   0.00100   0.00151   2.19131
   A98        2.19346  -0.00003   0.00007  -0.00047  -0.00042   2.19303
   A99        1.90984   0.00010  -0.00019   0.00156   0.00111   1.91095
   A100       2.19081  -0.00010   0.00055  -0.00065  -0.00049   2.19033
   A101       2.18176   0.00002  -0.00004   0.00057   0.00014   2.18190
   A102       1.87220  -0.00034   0.00009  -0.00194  -0.00187   1.87033
   A103       2.13105   0.00034  -0.00093   0.00526   0.00377   2.13482
   A104       2.27352   0.00000   0.00225  -0.00150   0.00079   2.27431
   A105       1.60510   0.00032   0.00110   0.00099   0.00098   1.60607
   A106       1.44732   0.00053  -0.00084   0.00310   0.00298   1.45030
   A107       1.43275  -0.00028  -0.00322  -0.00175  -0.00495   1.42781
   A108       3.01121   0.00060   0.00988   0.01119   0.02019   3.03140
   A109       1.82152  -0.00012   0.00521   0.00432   0.01174   1.83326
   A110       1.78212   0.00071  -0.01363  -0.00043  -0.01431   1.76782
   A111       1.67132  -0.00102   0.00961   0.00017   0.00988   1.68121
   A112       1.46832   0.00007   0.00852   0.01296   0.01990   1.48822
   A113       2.83284  -0.00024  -0.00195  -0.00333  -0.00730   2.82554
   A114       2.74011   0.00047   0.00083   0.00127   0.00230   2.74241
   A115       1.59958  -0.00009   0.00237  -0.00151   0.00316   1.60274
   A116       1.51594  -0.00066   0.00595  -0.00359   0.00257   1.51852
   A117       1.82556  -0.00029  -0.00200  -0.00395  -0.00801   1.81756
   A118       1.39788   0.00094   0.00102   0.00517   0.00647   1.40436
   A119       1.40254  -0.00032  -0.01645  -0.01917  -0.03522   1.36731
   A120       1.82332   0.00036  -0.00632   0.00157  -0.00409   1.81923
   A121       2.82365  -0.00069   0.00038  -0.00578  -0.00525   2.81840
   A122       1.60940   0.00033   0.00729   0.00756   0.01382   1.62322
   A123       2.34318  -0.00078  -0.00328  -0.00278  -0.00727   2.33592
   A124       2.79206  -0.00094   0.00770  -0.00008   0.00647   2.79853
   A125       2.12288   0.00034  -0.00003   0.00423   0.00349   2.12637
   A126       2.11241   0.00018   0.00060  -0.00054   0.00039   2.11280
   A127       2.04749  -0.00052  -0.00048  -0.00368  -0.00379   2.04370
   A128       2.37391   0.00063   0.01906   0.01783   0.03470   2.40861
   A129       2.13522  -0.00010  -0.00076   0.00489   0.00317   2.13839
   A130       2.07807  -0.00011   0.00051  -0.00366  -0.00273   2.07534
   A131       2.06989   0.00021   0.00027  -0.00125  -0.00058   2.06931
   A132       1.98011  -0.00018  -0.00177  -0.00627  -0.00790   1.97221
   A133       1.89994   0.00002   0.00116   0.00275   0.00336   1.90331
   A134       1.90423  -0.00019   0.00019  -0.00245  -0.00182   1.90241
   A135       1.84084  -0.00017  -0.00083   0.00041  -0.00023   1.84061
   A136       1.94342   0.00048   0.00091   0.00437   0.00498   1.94840
   A137       1.89222   0.00004   0.00043   0.00166   0.00210   1.89432
   A138       2.10964  -0.00021  -0.00242  -0.00702  -0.00953   2.10011
   A139       2.01346  -0.00008   0.00193   0.00197   0.00382   2.01727
   A140       2.15766   0.00028   0.00073   0.00388   0.00468   2.16234
   A141       1.91180  -0.00011   0.00621  -0.00660  -0.00107   1.91073
   A142       2.06270  -0.00015  -0.00172   0.00008  -0.00171   2.06099
   A143       2.15435  -0.00022  -0.00015  -0.00050  -0.00071   2.15364
   A144       2.02785   0.00047  -0.00095   0.00476   0.00374   2.03160
   A145       1.92912   0.00002  -0.00042  -0.00069  -0.00111   1.92801
   A146       1.89082  -0.00012   0.00081  -0.00096  -0.00016   1.89066
   A147       1.90094   0.00080  -0.00044   0.00664   0.00620   1.90714
   A148       1.91380  -0.00014  -0.00057  -0.00207  -0.00264   1.91116
   A149       1.92165  -0.00043   0.00030  -0.00307  -0.00278   1.91887
   A150       1.90708  -0.00012   0.00033   0.00025   0.00057   1.90765
   A151       1.89613   0.00045   0.00101   0.00433   0.00534   1.90146
   A152       1.91251  -0.00042  -0.00013  -0.00386  -0.00400   1.90851
   A153       1.97671  -0.00003  -0.00073  -0.00032  -0.00106   1.97565
   A154       1.87350   0.00006   0.00057   0.00091   0.00149   1.87499
   A155       1.89556  -0.00008   0.00015   0.00048   0.00063   1.89619
   A156       1.90657   0.00003  -0.00078  -0.00140  -0.00219   1.90438
    D1       -3.13985  -0.00012  -0.00064  -0.00608  -0.00686   3.13648
    D2        0.99831   0.00008   0.00200   0.00119   0.00272   1.00103
    D3       -1.00815   0.00007   0.00120   0.00092   0.00172  -1.00643
    D4        1.06140  -0.00014  -0.00076  -0.00624  -0.00669   1.05470
    D5       -1.08362   0.00007   0.00188   0.00103   0.00288  -1.08074
    D6       -3.09009   0.00006   0.00108   0.00076   0.00188  -3.08821
    D7       -1.04304  -0.00015  -0.00059  -0.00641  -0.00654  -1.04958
    D8        3.09512   0.00006   0.00205   0.00086   0.00304   3.09816
    D9        1.08866   0.00005   0.00124   0.00059   0.00204   1.09070
   D10       -0.78347   0.00008  -0.01257   0.00164  -0.01159  -0.79506
   D11        2.45195   0.00006  -0.00470   0.01097   0.00563   2.45758
   D12        1.35923  -0.00009  -0.01408  -0.00589  -0.02010   1.33914
   D13       -1.68854  -0.00012  -0.00621   0.00343  -0.00287  -1.69141
   D14       -2.91598  -0.00009  -0.01414  -0.00553  -0.01986  -2.93584
   D15        0.31943  -0.00011  -0.00627   0.00379  -0.00264   0.31680
   D16       -3.05771   0.00024   0.00747   0.01417   0.02132  -3.03639
   D17        0.08622   0.00001   0.00490   0.00094   0.00548   0.09170
   D18        0.00050   0.00029   0.00047   0.00617   0.00629   0.00679
   D19       -3.13875   0.00006  -0.00209  -0.00706  -0.00956   3.13488
   D20        3.07383  -0.00021  -0.00549  -0.01703  -0.02214   3.05168
   D21       -0.09201  -0.00003  -0.00785  -0.00722  -0.01513  -0.10713
   D22        0.00067  -0.00021   0.00032  -0.00995  -0.00922  -0.00855
   D23        3.11802  -0.00002  -0.00204  -0.00013  -0.00221   3.11581
   D24       -0.00150  -0.00025  -0.00110  -0.00005  -0.00095  -0.00246
   D25        2.28239   0.00094   0.02854   0.05654   0.08383   2.36622
   D26        3.13794  -0.00005   0.00124   0.01207   0.01361  -3.13164
   D27       -0.86135   0.00115   0.03087   0.06866   0.09839  -0.76296
   D28       -0.00168   0.00006  -0.00105   0.01058   0.00925   0.00757
   D29        3.13903   0.00018  -0.00241   0.00521   0.00213   3.14116
   D30       -3.11868  -0.00013   0.00136   0.00064   0.00215  -3.11654
   D31        0.02203  -0.00001   0.00000  -0.00473  -0.00497   0.01706
   D32        0.00192   0.00011   0.00130  -0.00643  -0.00508  -0.00315
   D33       -2.51069  -0.00025  -0.01500  -0.03655  -0.05332  -2.56400
   D34       -3.13877  -0.00001   0.00268  -0.00094   0.00221  -3.13656
   D35        0.63180  -0.00037  -0.01361  -0.03106  -0.04603   0.58578
   D36        1.11569  -0.00017  -0.01134   0.06062   0.04903   1.16473
   D37        2.89524   0.00050  -0.02520   0.06009   0.03453   2.92977
   D38       -0.55187   0.00091  -0.02082   0.06061   0.03929  -0.51258
   D39        2.13309   0.00051   0.02240   0.13378   0.15627   2.28936
   D40       -1.90608  -0.00002  -0.01999   0.05655   0.03632  -1.86976
   D41       -2.88802  -0.00008   0.01394   0.10507   0.11947  -2.76855
   D42       -1.10848   0.00060   0.00007   0.10455   0.10497  -1.00351
   D43        1.72761   0.00101   0.00445   0.10507   0.10972   1.83733
   D44       -1.87062   0.00061   0.04767   0.17823   0.22670  -1.64392
   D45        0.37339   0.00007   0.00528   0.10100   0.10676   0.48015
   D46        1.00526   0.00006   0.03697   0.08750   0.12433   1.12959
   D47        3.12320  -0.00005   0.03092   0.08847   0.11934  -3.04064
   D48       -1.11864   0.00003   0.02899   0.09177   0.12063  -0.99802
   D49       -1.11063   0.00036   0.03401   0.09390   0.12792  -0.98271
   D50        1.00731   0.00025   0.02796   0.09488   0.12293   1.13024
   D51        3.04865   0.00033   0.02603   0.09818   0.12422  -3.11032
   D52        3.09314   0.00031   0.03706   0.09339   0.13049  -3.05956
   D53       -1.07211   0.00020   0.03101   0.09437   0.12550  -0.94661
   D54        0.96923   0.00028   0.02908   0.09766   0.12679   1.09602
   D55       -0.98901   0.00000   0.00797   0.02067   0.02870  -0.96031
   D56        1.12961  -0.00002   0.00814   0.01427   0.02257   1.15218
   D57       -3.09148  -0.00011   0.00631   0.01497   0.02138  -3.07011
   D58       -3.11706  -0.00005   0.01380   0.01795   0.03169  -3.08537
   D59       -0.99844  -0.00007   0.01397   0.01155   0.02556  -0.97288
   D60        1.06365  -0.00016   0.01214   0.01225   0.02437   1.08802
   D61        1.13740  -0.00014   0.01472   0.01407   0.02879   1.16619
   D62       -3.02717  -0.00016   0.01489   0.00767   0.02266  -3.00450
   D63       -0.96507  -0.00025   0.01306   0.00837   0.02147  -0.94361
   D64       -0.40651  -0.00030   0.00851  -0.02687  -0.01797  -0.42448
   D65        2.67569   0.00012   0.00674  -0.00473   0.00238   2.67808
   D66       -2.56457  -0.00004   0.01061  -0.01792  -0.00718  -2.57175
   D67        0.51763   0.00038   0.00884   0.00422   0.01317   0.53080
   D68        1.71426  -0.00039   0.01340  -0.02323  -0.00967   1.70458
   D69       -1.48673   0.00003   0.01163  -0.00109   0.01068  -1.47605
   D70        2.71142   0.00049   0.00765   0.02622   0.03421   2.74563
   D71       -0.36731   0.00000   0.00948   0.00262   0.01251  -0.35480
   D72       -2.81808  -0.00072   0.01265  -0.01105   0.00085  -2.81723
   D73        0.26389  -0.00035   0.01085   0.01100   0.02116   0.28505
   D74        0.31557  -0.00002  -0.03580  -0.01983  -0.05453   0.26104
   D75        0.36584  -0.00019  -0.05502  -0.05995  -0.11480   0.25104
   D76       -1.04279  -0.00014  -0.00035  -0.00110  -0.00122  -1.04402
   D77        1.07610   0.00005   0.00070   0.00354   0.00445   1.08056
   D78        3.10036   0.00012   0.00129   0.00529   0.00667   3.10703
   D79       -3.12416  -0.00020  -0.00100  -0.00236  -0.00340  -3.12755
   D80       -1.00526  -0.00001   0.00006   0.00228   0.00228  -1.00298
   D81        1.01900   0.00005   0.00065   0.00403   0.00450   1.02349
   D82        1.06204  -0.00009  -0.00006   0.00017   0.00008   1.06213
   D83       -3.10225   0.00010   0.00100   0.00481   0.00576  -3.09649
   D84       -1.07799   0.00017   0.00159   0.00657   0.00798  -1.07001
   D85        0.56275  -0.00058  -0.02392  -0.08182  -0.10594   0.45681
   D86       -2.67321   0.00026  -0.01560  -0.01046  -0.02623  -2.69944
   D87       -1.55383  -0.00053  -0.02519  -0.08390  -0.10918  -1.66301
   D88        1.49340   0.00030  -0.01687  -0.01253  -0.02947   1.46393
   D89        2.70095  -0.00074  -0.02556  -0.08732  -0.11289   2.58807
   D90       -0.53501   0.00010  -0.01724  -0.01596  -0.03318  -0.56818
   D91        3.08045  -0.00017   0.01918   0.00192   0.02066   3.10111
   D92       -0.00060   0.00015  -0.00041   0.02220   0.02144   0.02084
   D93        0.02065  -0.00085   0.01193  -0.05991  -0.04842  -0.02777
   D94       -3.06040  -0.00053  -0.00766  -0.03963  -0.04765  -3.10805
   D95       -3.08358   0.00005  -0.01604   0.00036  -0.01544  -3.09902
   D96        0.04791  -0.00017  -0.00265  -0.01974  -0.02248   0.02543
   D97       -0.01453   0.00072  -0.00964   0.05516   0.04583   0.03130
   D98        3.11697   0.00049   0.00374   0.03506   0.03879  -3.12743
   D99       -0.01938   0.00068  -0.00990   0.04308   0.03344   0.01406
   D100      -3.13906   0.00081   0.02452   0.07204   0.09547  -3.04359
   D101       3.06554   0.00037   0.00821   0.02391   0.03242   3.09796
   D102      -0.05414   0.00049   0.04264   0.05287   0.09445   0.04031
   D103       0.00299  -0.00033   0.00387  -0.03074  -0.02702  -0.02403
   D104       3.10415  -0.00016   0.01032  -0.02045  -0.01074   3.09342
   D105      -3.12842  -0.00010  -0.00966  -0.01049  -0.01997   3.13480
   D106      -0.02726   0.00006  -0.00321  -0.00020  -0.00368  -0.03094
   D107       0.00981  -0.00021   0.00358  -0.00706  -0.00354   0.00628
   D108       3.13017  -0.00034  -0.02880  -0.03546  -0.06584   3.06432
   D109      -3.09058  -0.00038  -0.00287  -0.01756  -0.02009  -3.11067
   D110       0.02978  -0.00051  -0.03525  -0.04596  -0.08240  -0.05262
   D111      -1.04498   0.00042  -0.03754   0.06869   0.03144  -1.01354
   D112      -2.49682  -0.00019  -0.03688   0.06532   0.02835  -2.46847
   D113       0.39048   0.00016  -0.04048   0.06703   0.02676   0.41724
   D114       2.20804  -0.00005  -0.04294   0.06405   0.01972   2.22776
   D115       1.70567   0.00021  -0.00331   0.08739   0.08379   1.78947
   D116       2.12235   0.00059   0.00231   0.10295   0.10578   2.22812
   D117       0.67051  -0.00003   0.00298   0.09957   0.10269   0.77320
   D118      -2.72538   0.00032  -0.00062   0.10129   0.10111  -2.62427
   D119      -0.90782   0.00012  -0.00309   0.09831   0.09406  -0.81376
   D120      -1.41019   0.00037   0.03654   0.12165   0.15814  -1.25205
   D121      -1.04731  -0.00003  -0.00017  -0.00482  -0.00513  -1.05243
   D122       3.10505  -0.00007  -0.00083  -0.00541  -0.00629   3.09876
   D123       1.07349   0.00000  -0.00099  -0.00359  -0.00468   1.06881
   D124       1.06154   0.00003  -0.00028  -0.00350  -0.00384   1.05770
   D125      -1.06929  -0.00002  -0.00095  -0.00410  -0.00500  -1.07430
   D126      -3.10086   0.00006  -0.00111  -0.00228  -0.00339  -3.10424
   D127      -3.13606  -0.00001   0.00014  -0.00462  -0.00443  -3.14050
   D128       1.01629  -0.00005  -0.00053  -0.00521  -0.00560   1.01070
   D129      -1.01527   0.00002  -0.00069  -0.00339  -0.00398  -1.01925
   D130      -0.09815   0.00008  -0.00282  -0.00865  -0.01130  -0.10945
   D131       3.03892  -0.00019  -0.00839  -0.02836  -0.03655   3.00237
   D132       2.02803  -0.00007  -0.00275  -0.01014  -0.01289   2.01514
   D133      -1.11809  -0.00033  -0.00832  -0.02986  -0.03814  -1.15623
   D134      -2.21427  -0.00002  -0.00185  -0.01009  -0.01190  -2.22617
   D135       0.92280  -0.00028  -0.00742  -0.02981  -0.03715   0.88565
   D136       3.12154   0.00004  -0.00744   0.00221  -0.00492   3.11662
   D137      -0.04878  -0.00009  -0.00893  -0.01144  -0.02020  -0.06898
   D138      -0.01617   0.00026  -0.00264   0.01912   0.01661   0.00044
   D139       3.09670   0.00014  -0.00413   0.00547   0.00133   3.09803
   D140      -3.12294  -0.00019   0.00741  -0.01353  -0.00609  -3.12903
   D141       0.02879  -0.00011   0.00059  -0.00362  -0.00295   0.02583
   D142       0.01513  -0.00040   0.00310  -0.02888  -0.02586  -0.01073
   D143      -3.11633  -0.00032  -0.00372  -0.01897  -0.02273  -3.13906
   D144       0.01146  -0.00004   0.00123  -0.00240  -0.00127   0.01019
   D145      -3.02029  -0.00010  -0.00939  -0.01777  -0.02732  -3.04761
   D146      -3.10424   0.00009   0.00261   0.01002   0.01274  -3.09150
   D147       0.14721   0.00004  -0.00802  -0.00535  -0.01331   0.13390
   D148      -0.00863   0.00039  -0.00247   0.02871   0.02630   0.01766
   D149      -3.10954  -0.00034  -0.00929  -0.01015  -0.01937  -3.12892
   D150       3.12280   0.00031   0.00438   0.01878   0.02318  -3.13721
   D151       0.02189  -0.00042  -0.00244  -0.02008  -0.02250  -0.00061
   D152      -0.00158  -0.00021   0.00077  -0.01619  -0.01539  -0.01697
   D153       3.01800  -0.00013   0.01219   0.00146   0.01373   3.03173
   D154       3.09959   0.00050   0.00758   0.02239   0.03000   3.12958
   D155      -0.16401   0.00059   0.01900   0.04004   0.05911  -0.10490
   D156      -1.14052  -0.00012  -0.01877   0.01601  -0.00118  -1.14170
   D157       0.43899   0.00024  -0.01616   0.01774   0.00216   0.44115
   D158      -2.00747   0.00013  -0.00390   0.01472   0.01097  -1.99650
   D159       1.91114   0.00029  -0.00682   0.03067   0.02296   1.93410
   D160      -2.97144  -0.00005  -0.02327   0.01141  -0.01243  -2.98387
   D161       2.13870  -0.00018  -0.03179  -0.00338  -0.03374   2.10496
   D162      -2.56497   0.00018  -0.02918  -0.00165  -0.03040  -2.59537
   D163       1.27175   0.00008  -0.01692  -0.00468  -0.02159   1.25016
   D164      -1.09282   0.00024  -0.01984   0.01128  -0.00960  -1.10243
   D165       0.30778  -0.00010  -0.03629  -0.00798  -0.04499   0.26279
   D166       1.26465   0.00036   0.00797   0.00635   0.01309   1.27774
   D167      -2.30074   0.00084   0.01867   0.03697   0.05398  -2.24676
   D168      -0.32693  -0.00007   0.00839   0.00555   0.01398  -0.31295
   D169       2.39086   0.00041   0.01909   0.03617   0.05487   2.44574
   D170       2.13387   0.00023  -0.00654   0.00840   0.00211   2.13597
   D171      -1.43152   0.00071   0.00416   0.03902   0.04300  -1.38852
   D172      -1.81767   0.00013  -0.00278  -0.00761  -0.00840  -1.82606
   D173       0.90013   0.00062   0.00791   0.02301   0.03249   0.93262
   D174       3.11772   0.00012   0.01388   0.01019   0.02504  -3.14043
   D175      -0.44767   0.00060   0.02457   0.04082   0.06593  -0.38174
   D176       2.19557   0.00008  -0.01952  -0.01353  -0.03393   2.16165
   D177      -3.06259   0.00075   0.01336   0.05864   0.07156  -2.99103
   D178       1.44028   0.00003   0.02737   0.05882   0.08597   1.52625
   D179      -1.41425  -0.00027   0.02575   0.06243   0.08732  -1.32693
   D180      -0.06996   0.00070   0.02226   0.06296   0.08542   0.01547
   D181       1.96106  -0.00086  -0.02002  -0.04804  -0.06876   1.89230
   D182      -0.77651  -0.00065  -0.05488  -0.06698  -0.12192  -0.89843
   D183      -2.89320  -0.00047  -0.01987  -0.04618  -0.06604  -2.95924
   D184       0.58033  -0.00087  -0.01574  -0.04674  -0.06282   0.51751
   D185      -1.28382  -0.00043  -0.01719  -0.04592  -0.06115  -1.34498
   D186       2.97164  -0.00027   0.02359   0.01531   0.03910   3.01073
   D187      -0.04095  -0.00013   0.02041   0.00882   0.02919  -0.01175
   D188       3.11419  -0.00014   0.02533   0.01623   0.04209  -3.12691
   D189      -0.43727   0.00036   0.03473   0.04577   0.08084  -0.35642
   D190       0.83551  -0.00031  -0.00988  -0.03449  -0.04606   0.78945
   D191      -2.33733  -0.00024  -0.00658  -0.03428  -0.04239  -2.37972
   D192       0.05730   0.00002  -0.01061  -0.02057  -0.03185   0.02545
   D193      -3.08087   0.00002  -0.00571  -0.01069  -0.01689  -3.09776
   D194      -3.05416  -0.00006  -0.01382  -0.02082  -0.03544  -3.08960
   D195       0.09086  -0.00006  -0.00892  -0.01094  -0.02048   0.07038
   D196      -1.07884  -0.00002  -0.00473  -0.00107  -0.00585  -1.08470
   D197       0.96307   0.00008  -0.00355   0.00034  -0.00327   0.95980
   D198       3.09660  -0.00021  -0.00516  -0.00450  -0.00972   3.08689
   D199       2.03281   0.00007  -0.00156  -0.00073  -0.00223   2.03057
   D200      -2.20846   0.00016  -0.00038   0.00067   0.00035  -2.20811
   D201      -0.07493  -0.00013  -0.00199  -0.00417  -0.00610  -0.08103
   D202      -1.41145   0.00042   0.01945   0.03332   0.05263  -1.35881
   D203       0.63225   0.00012   0.01811   0.03184   0.04978   0.68203
   D204       2.69416   0.00007   0.01940   0.03403   0.05320   2.74736
   D205       1.72674   0.00042   0.01457   0.02348   0.03772   1.76446
   D206      -2.51275   0.00012   0.01323   0.02200   0.03487  -2.47789
   D207      -0.45084   0.00007   0.01452   0.02418   0.03828  -0.41256
   D208       0.61132  -0.00016   0.00983   0.00236   0.01136   0.62269
   D209      -2.60244  -0.00032   0.01315  -0.01472  -0.00237  -2.60480
   D210      -1.46660   0.00002   0.00995   0.00222   0.01179  -1.45482
   D211       1.60282  -0.00013   0.01327  -0.01486  -0.00194   1.60088
   D212       2.76762  -0.00018   0.00945  -0.00224   0.00685   2.77447
   D213      -0.44614  -0.00033   0.01277  -0.01932  -0.00689  -0.45302
   D214       1.08149   0.00000   0.00219   0.01208   0.01280   1.09430
   D215      -1.98177   0.00018  -0.00146   0.03075   0.02783  -1.95394
   D216      -0.05030   0.00017  -0.01262   0.00826  -0.00432  -0.05462
   D217      -2.88656  -0.00032  -0.00072  -0.00945  -0.01013  -2.89669
   D218       3.01690  -0.00001  -0.00937  -0.00986  -0.01926   2.99764
   D219       0.18064  -0.00050   0.00253  -0.02756  -0.02507   0.15557
   D220      -2.18851   0.00021  -0.00750   0.00019  -0.00731  -2.19582
   D221      -0.09129  -0.00002  -0.00794  -0.00336  -0.01130  -0.10259
   D222       1.98136   0.00022  -0.00732   0.00015  -0.00717   1.97418
   D223       1.25283  -0.00017   0.00429  -0.01646  -0.01217   1.24066
   D224      -2.93313  -0.00040   0.00386  -0.02001  -0.01616  -2.94929
   D225      -0.86049  -0.00016   0.00447  -0.01650  -0.01203  -0.87252
         Item               Value     Threshold  Converged?
 Maximum Force            0.005731     0.000450     NO 
 RMS     Force            0.000515     0.000300     NO 
 Maximum Displacement     0.442683     0.001800     NO 
 RMS     Displacement     0.086910     0.001200     NO 
 Predicted change in Energy=-1.505920D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.231584    3.024822    3.127211
      2          6           0       -3.487534    1.739060    3.562827
      3          6           0       -2.135828    1.510293    2.922929
      4          6           0       -1.639925    1.593936    1.624757
      5          7           0       -1.065544    0.992334    3.670143
      6          6           0        0.000491    0.777398    2.824111
      7          7           0       -0.311555    1.134430    1.571653
      8          6           0       -5.344876    0.776401    0.063226
      9          6           0       -5.864551   -0.247769   -0.970892
     10          6           0       -5.144750   -1.612960   -0.898181
     11          6           0       -3.637729   -1.472076   -1.027908
     12          8           0       -3.114058   -0.470475   -1.613537
     13          8           0       -2.889611   -2.434544   -0.452387
     14          6           0       -2.392817    3.525952   -3.604202
     15          6           0       -1.053135    3.109330   -4.252325
     16          6           0       -0.164814    2.340497   -3.309954
     17          6           0       -0.446501    1.550460   -2.206605
     18          7           0        1.232216    2.296962   -3.437887
     19          6           0        1.738125    1.472610   -2.462097
     20          7           0        0.744644    1.006696   -1.694143
     21          6           0        4.526215    4.192645    0.876807
     22          6           0        5.077190    2.980547    1.659542
     23          6           0        4.215308    1.763526    1.467078
     24          6           0        3.001098    1.607710    0.823276
     25          7           0        4.548600    0.474501    1.921712
     26          6           0        3.546396   -0.395198    1.561222
     27          7           0        2.603024    0.267612    0.881876
     28         30           0        0.926591   -0.428206   -0.096762
     29          1           0       -5.196807    3.091916    3.642450
     30          1           0       -4.427248    3.021802    2.048180
     31          1           0       -3.647930    3.921457    3.366126
     32          1           0       -4.130040    0.873894    3.343784
     33          1           0       -3.360868    1.757750    4.655631
     34          1           0       -2.147910    1.938294    0.738396
     35          1           0       -1.081044    0.824352    4.667733
     36          1           0        0.950577    0.382510    3.146670
     37          1           0       -4.302796    1.035500   -0.139601
     38          1           0       -5.420789    0.374497    1.084803
     39          1           0       -5.944499    1.696150    0.024270
     40          1           0       -6.939871   -0.416024   -0.812843
     41          1           0       -5.745983    0.168954   -1.978726
     42          1           0       -5.355337   -2.126604    0.047988
     43          1           0       -5.501704   -2.276117   -1.700439
     44          1           0       -2.959776    2.648636   -3.271262
     45          1           0       -3.010393    4.068580   -4.328960
     46          1           0       -2.225219    4.177980   -2.738522
     47          1           0       -1.261489    2.496188   -5.141715
     48          1           0       -0.523815    4.005871   -4.607620
     49          1           0       -1.416616    1.309882   -1.800785
     50          1           0        1.771851    2.781415   -4.143804
     51          1           0        2.781984    1.228027   -2.359067
     52          1           0        4.489612    3.984372   -0.199559
     53          1           0        3.516684    4.456750    1.213447
     54          1           0        5.167893    5.067482    1.029036
     55          1           0        5.143480    3.233700    2.727844
     56          1           0        6.103227    2.766737    1.324740
     57          1           0        2.377583    2.353206    0.362717
     58          1           0        5.383324    0.230669    2.439967
     59          1           0        3.522186   -1.449667    1.784595
     60          8           0       -0.869311   -1.187680   -0.283260
     61          1           0       -1.365694   -0.511968   -0.804297
     62          1           0       -1.790929   -1.994124   -0.329428
     63          6           0        2.708009   -2.763275   -1.623752
     64          8           0        2.178906   -1.610987   -1.552844
     65          7           0        2.023196   -3.892755   -1.277581
     66          6           0        0.627614   -3.862384   -0.831894
     67          6           0        0.473007   -3.407369    0.630787
     68          8           0        1.244673   -2.517288    1.111742
     69          7           0       -0.579211   -3.935772    1.299337
     70          1           0        0.077261   -3.123332   -1.427866
     71          1           0        0.179087   -4.846793   -0.997795
     72          1           0        2.500419   -4.785307   -1.314503
     73          1           0       -1.212115   -4.545388    0.789900
     74          6           0       -1.069132   -3.410543    2.585704
     75          1           0       -1.108678   -4.208597    3.335246
     76          1           0       -0.384418   -2.629835    2.920663
     77          1           0       -2.067003   -2.980831    2.444352
     78          6           0        4.124193   -2.943436   -2.133475
     79          1           0        4.174228   -2.601459   -3.173769
     80          1           0        4.803047   -2.314447   -1.548501
     81          1           0        4.469602   -3.981226   -2.089261
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0957793      0.0713738      0.0665519
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4895.7724212145 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33663 LenP2D=  121878.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.48D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999041    0.043165   -0.004653    0.005626 Ang=   5.02 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.94800097     A.U. after   12 cycles
            NFock= 12  Conv=0.40D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33663 LenP2D=  121878.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000263269   -0.000594938   -0.000270673
      3        6          -0.000413197   -0.000345096    0.000071053
      4        6           0.000118723    0.000313352    0.000074269
      5        7           0.000385630    0.000390814   -0.000248912
      6        6          -0.000266226   -0.001728087    0.001985714
      7        7          -0.001451985    0.002844414   -0.001315816
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000699452    0.000172958   -0.000090285
     10        6          -0.000334583    0.000589013    0.000188350
     11        6          -0.003042120    0.003905345   -0.001584782
     12        8          -0.001107802   -0.000871201    0.000847640
     13        8           0.006586320   -0.000873766    0.000557241
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000037543   -0.000006786    0.000646993
     16        6           0.001193018   -0.001556984    0.003469470
     17        6          -0.000085082    0.000938568   -0.001941352
     18        7          -0.000280010    0.001926499   -0.002238855
     19        6           0.000022870   -0.000533617    0.000338886
     20        7           0.000009486   -0.001288515    0.000911486
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000118040   -0.000137445   -0.000234922
     23        6          -0.001508519   -0.000505227   -0.001517917
     24        6           0.000888191    0.000438245    0.000882420
     25        7           0.000742694    0.000188239    0.001601729
     26        6          -0.000449729   -0.000066513   -0.002107240
     27        7          -0.001010018    0.001120650    0.001134924
     28       30           0.002637390   -0.000969215    0.001330229
     29        1           0.000037022    0.000000196    0.000078305
     30        1          -0.000128329    0.000080869    0.000259695
     31        1          -0.000014469   -0.000114253    0.000130426
     32        1           0.000168271    0.000289552    0.000077089
     33        1          -0.000017856   -0.000014535   -0.000052160
     34        1           0.000002719    0.000402861    0.000185662
     35        1          -0.000160228    0.000223736   -0.000151733
     36        1           0.000242140    0.000214423    0.000055559
     37        1          -0.000325524    0.000190632   -0.000116735
     38        1          -0.000392018   -0.000250686    0.000072719
     39        1          -0.000155413    0.000032832    0.000012049
     40        1          -0.000142055   -0.000240147   -0.000302302
     41        1          -0.000148939   -0.000120548    0.000030543
     42        1          -0.000068948    0.000056914   -0.000075111
     43        1           0.000122300   -0.000247163    0.000106201
     44        1           0.000068039    0.000032584   -0.000091827
     45        1           0.000113940    0.000046797    0.000062078
     46        1           0.000086171    0.000026969   -0.000019575
     47        1          -0.000172424   -0.000128406   -0.000005412
     48        1           0.000093465   -0.000098828    0.000022312
     49        1          -0.000804118   -0.000177490   -0.000621685
     50        1          -0.000088245    0.000388109   -0.000490339
     51        1          -0.000149400    0.000280073    0.000258735
     52        1           0.000014473    0.000123586    0.000121687
     53        1           0.000029488   -0.000001753    0.000034009
     54        1          -0.000064864    0.000071321    0.000070296
     55        1           0.000118568    0.000024232    0.000107794
     56        1          -0.000064200    0.000068685    0.000119759
     57        1           0.000193738   -0.000299862   -0.000455469
     58        1           0.000105811    0.000171142    0.000235149
     59        1          -0.000147816   -0.000058336   -0.000115901
     60        8          -0.000776031   -0.006311072   -0.006619540
     61        1           0.001898251    0.000323108   -0.000870260
     62        1          -0.002112385    0.002181235    0.003234278
     63        6           0.001851719    0.001938121   -0.000473602
     64        8          -0.001357424   -0.000417703    0.002375043
     65        7          -0.000215418   -0.001353977    0.000845779
     66        6          -0.000954251    0.000727515   -0.000349244
     67        6           0.002442338   -0.000080023   -0.000332493
     68        8          -0.002797946   -0.000227153    0.001428224
     69        7           0.000739296   -0.001007065    0.000331584
     70        1          -0.000095588    0.000411897    0.000088658
     71        1          -0.000201011    0.000089211   -0.000144520
     72        1          -0.000121682   -0.000101778   -0.000070617
     73        1          -0.000388342    0.000239906   -0.000086203
     74        6          -0.000801651   -0.000241343   -0.001130818
     75        1           0.000190501    0.000145514    0.000099684
     76        1          -0.000127679   -0.000043439    0.000110506
     77        1          -0.000003408    0.000107181    0.000152502
     78        6          -0.000010128   -0.000169014   -0.000686536
     79        1          -0.000086377    0.000034503    0.000072024
     80        1          -0.000038773   -0.000015719    0.000129209
     81        1           0.000010248   -0.000043316    0.000061214
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006619540 RMS     0.001125607

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.004054805 RMS     0.000472756
 Search for a local minimum.
 Step number   8 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    7    8
 DE= -1.54D-03 DEPred=-1.51D-03 R= 1.03D+00
 TightC=F SS=  1.41D+00  RLast= 7.86D-01 DXNew= 4.0531D+00 2.3577D+00
 Trust test= 1.03D+00 RLast= 7.86D-01 DXMaxT set to 2.41D+00
 ITU=  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00171   0.00230   0.00230   0.00230   0.00266
     Eigenvalues ---    0.00348   0.00420   0.00484   0.00528   0.00580
     Eigenvalues ---    0.00603   0.00664   0.00733   0.00755   0.00792
     Eigenvalues ---    0.00826   0.00857   0.01054   0.01109   0.01193
     Eigenvalues ---    0.01292   0.01358   0.01366   0.01419   0.01460
     Eigenvalues ---    0.01505   0.01595   0.01629   0.01709   0.01723
     Eigenvalues ---    0.01797   0.01834   0.01846   0.01867   0.01919
     Eigenvalues ---    0.01962   0.02002   0.02091   0.02107   0.02138
     Eigenvalues ---    0.02164   0.02246   0.02271   0.02286   0.02331
     Eigenvalues ---    0.02535   0.02638   0.03123   0.03350   0.03654
     Eigenvalues ---    0.03805   0.03881   0.03976   0.04122   0.04185
     Eigenvalues ---    0.04541   0.04697   0.04922   0.05164   0.05362
     Eigenvalues ---    0.05377   0.05389   0.05400   0.05415   0.05456
     Eigenvalues ---    0.05518   0.05524   0.05539   0.05544   0.05560
     Eigenvalues ---    0.05627   0.06396   0.06429   0.06893   0.06969
     Eigenvalues ---    0.07315   0.07430   0.07475   0.07666   0.07949
     Eigenvalues ---    0.08370   0.08788   0.09184   0.09241   0.09389
     Eigenvalues ---    0.09522   0.09889   0.09976   0.10708   0.11176
     Eigenvalues ---    0.11853   0.12279   0.12623   0.12736   0.12864
     Eigenvalues ---    0.12970   0.13207   0.14670   0.15574   0.15798
     Eigenvalues ---    0.15961   0.15982   0.15995   0.15995   0.15997
     Eigenvalues ---    0.15998   0.15998   0.15998   0.15999   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16010   0.16021
     Eigenvalues ---    0.16063   0.16091   0.16115   0.16618   0.17317
     Eigenvalues ---    0.18830   0.19110   0.19434   0.20297   0.21282
     Eigenvalues ---    0.21524   0.21561   0.22085   0.22117   0.22213
     Eigenvalues ---    0.22614   0.22796   0.22960   0.23066   0.23420
     Eigenvalues ---    0.23612   0.23789   0.24415   0.24779   0.24932
     Eigenvalues ---    0.24992   0.25042   0.26270   0.27029   0.27468
     Eigenvalues ---    0.27780   0.28004   0.28186   0.28362   0.30207
     Eigenvalues ---    0.30637   0.31269   0.31495   0.31719   0.32135
     Eigenvalues ---    0.33560   0.33611   0.33619   0.33652   0.33663
     Eigenvalues ---    0.33713   0.33785   0.33816   0.33870   0.33900
     Eigenvalues ---    0.33924   0.33928   0.33946   0.33983   0.33987
     Eigenvalues ---    0.33994   0.34029   0.34046   0.34074   0.34075
     Eigenvalues ---    0.34096   0.34131   0.34170   0.34177   0.34182
     Eigenvalues ---    0.34215   0.34248   0.34262   0.34301   0.34611
     Eigenvalues ---    0.35648   0.35715   0.35762   0.36005   0.36229
     Eigenvalues ---    0.36329   0.36346   0.36443   0.38446   0.39310
     Eigenvalues ---    0.39538   0.41909   0.42384   0.42500   0.45115
     Eigenvalues ---    0.45226   0.45296   0.45465   0.45523   0.45582
     Eigenvalues ---    0.45591   0.45638   0.47207   0.48988   0.49108
     Eigenvalues ---    0.49312   0.49643   0.49883   0.52320   0.54488
     Eigenvalues ---    0.54857   0.54917   0.55555   0.70680   0.73013
     Eigenvalues ---    0.762831000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     8    7    6
 RFO step:  Lambda=-3.19466520D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.00094    0.20865   -0.20960
 Iteration  1 RMS(Cart)=  0.07250293 RMS(Int)=  0.00260254
 Iteration  2 RMS(Cart)=  0.00458760 RMS(Int)=  0.00055501
 Iteration  3 RMS(Cart)=  0.00003774 RMS(Int)=  0.00055489
 New curvilinear step failed, DQL= 2.95D-07 SP=-1.15D-01.
 ITry= 1 IFail=1 DXMaxC= 5.35D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06554038 RMS(Int)=  0.00206809
 Iteration  2 RMS(Cart)=  0.00364085 RMS(Int)=  0.00051652
 Iteration  3 RMS(Cart)=  0.00002804 RMS(Int)=  0.00051647
 New curvilinear step failed, DQL= 1.07D-07 SP=-1.91D-01.
 ITry= 2 IFail=1 DXMaxC= 4.75D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05873294 RMS(Int)=  0.00173100
 Iteration  2 RMS(Cart)=  0.00291552 RMS(Int)=  0.00048144
 Iteration  3 RMS(Cart)=  0.00002844 RMS(Int)=  0.00048143
 New curvilinear step failed, DQL= 2.09D-06 SP=-3.86D-03.
 ITry= 3 IFail=1 DXMaxC= 4.16D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05185211 RMS(Int)=  0.00141284
 Iteration  2 RMS(Cart)=  0.00231402 RMS(Int)=  0.00044976
 Iteration  3 RMS(Cart)=  0.00001504 RMS(Int)=  0.00044976
 New curvilinear step failed, DQL= 2.21D-05 SP=-1.36D-04.
 ITry= 4 IFail=1 DXMaxC= 3.57D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04524102 RMS(Int)=  0.00110845
 Iteration  2 RMS(Cart)=  0.00178809 RMS(Int)=  0.00042142
 Iteration  3 RMS(Cart)=  0.00000580 RMS(Int)=  0.00042142
 New curvilinear step failed, DQL= 3.00D-05 SP=-3.75D-05.
 ITry= 5 IFail=1 DXMaxC= 2.99D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03917728 RMS(Int)=  0.00086504
 Iteration  2 RMS(Cart)=  0.00135659 RMS(Int)=  0.00039635
 New curvilinear step failed, DQL= 3.41D-05 SP=-2.88D-03.
 ITry= 6 IFail=1 DXMaxC= 2.41D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03397379 RMS(Int)=  0.00068310
 Iteration  2 RMS(Cart)=  0.00105862 RMS(Int)=  0.00037447
 New curvilinear step failed, DQL= 2.56D-05 SP=-1.34D-02.
 ITry= 7 IFail=1 DXMaxC= 1.84D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03010023 RMS(Int)=  0.00055808
 Iteration  2 RMS(Cart)=  0.00085860 RMS(Int)=  0.00035564
 New curvilinear step failed, DQL= 1.89D-05 SP=-2.25D-02.
 ITry= 8 IFail=1 DXMaxC= 1.42D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02813080 RMS(Int)=  0.00047825
 Iteration  2 RMS(Cart)=  0.00075159 RMS(Int)=  0.00033970
 New curvilinear step failed, DQL= 1.42D-05 SP=-3.59D-02.
 ITry= 9 IFail=1 DXMaxC= 1.49D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02849568 RMS(Int)=  0.00042691
 Iteration  2 RMS(Cart)=  0.00068459 RMS(Int)=  0.00032649
 New curvilinear step failed, DQL= 1.05D-05 SP=-4.52D-02.
 ITry=10 IFail=1 DXMaxC= 1.56D-01 DCOld= 1.00D+10 DXMaxT= 2.41D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.01498581 RMS(Int)=  0.02616188 XScale=  4.98342008
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.01498139 RMS(Int)=  0.01956517 XScale=  2.48416335
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.01496713 RMS(Int)=  0.01296838 XScale=  1.65240871
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.01494315 RMS(Int)=  0.00644633 XScale=  1.23834635
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.01493351 RMS(Int)=  0.00113048 XScale=  0.99332760
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00298670 RMS(Int)=  0.00516387 XScale=  1.18033517
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00298583 RMS(Int)=  0.00389208 XScale=  1.12779270
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00298562 RMS(Int)=  0.00263831 XScale=  1.08010955
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.00298789 RMS(Int)=  0.00143050 XScale=  1.03688315
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.00300547 RMS(Int)=  0.00058700 XScale=  0.99820921
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00060109 RMS(Int)=  0.00119763 XScale=  1.02893418
 RedQX1 iteration     3 Try  2 RMS(Cart)=  0.00060165 RMS(Int)=  0.00097586 XScale=  1.02117965
 RedQX1 iteration     3 Try  3 RMS(Cart)=  0.00060262 RMS(Int)=  0.00077523 XScale=  1.01364277
 RedQX1 iteration     3 Try  4 RMS(Cart)=  0.00060461 RMS(Int)=  0.00061822 XScale=  1.00637640
 RedQX1 iteration     3 Try  5 RMS(Cart)=  0.00061126 RMS(Int)=  0.00054929 XScale=  0.99955755
 RedQX1 iteration     3 Try  6 RMS(Cart)=  0.00007063 RMS(Int)=  0.00054757 XScale=  0.99996412
 RedQX1 iteration     4 Try  1 RMS(Cart)=  0.00000170 RMS(Int)=  0.00054756 XScale=  0.99997178
 RedQX1 iteration     4 Try  2 RMS(Cart)=  0.00000170 RMS(Int)=  0.00054755 XScale=  0.99997930
 RedQX1 iteration     4 Try  3 RMS(Cart)=  0.00000170 RMS(Int)=  0.00054754 XScale=  0.99998662
 RedQX1 iteration     4 Try  4 RMS(Cart)=  0.00000169 RMS(Int)=  0.00054754 XScale=  0.99999362
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00002566 RMS(Int)=  0.00003745 XScale=  5.05162577
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00002566 RMS(Int)=  0.00002845 XScale=  2.52629484
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00002566 RMS(Int)=  0.00001965 XScale=  1.68451603
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00002567 RMS(Int)=  0.00001148 XScale=  1.26361294
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00002573 RMS(Int)=  0.00000682 XScale=  1.01101573
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000125 RMS(Int)=  0.00000682 XScale=  1.01101840
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48439   0.00012   0.00000   0.00000   0.00012   8.48451
    Y1       -0.92759  -0.00003   0.00000   0.00000  -0.00003  -0.92762
    Z1        7.47494   0.00018   0.00000   0.00000   0.00005   7.47499
    X8       10.19820  -0.00098   0.00000   0.00000  -0.00014  10.19806
    Y8        1.20620   0.00029   0.00000   0.00000   0.00003   1.20623
    Z8        0.50973  -0.00069   0.00000   0.00000  -0.00004   0.50968
   X14        7.21032   0.00015   0.00000   0.00000   0.00006   7.21038
   Y14       -7.64137   0.00014   0.00000   0.00000  -0.00003  -7.64140
   Z14       -3.84250   0.00047   0.00000   0.00000   0.00003  -3.84247
   X21       -6.13874  -0.00014   0.00000   0.00000  -0.00004  -6.13878
   Y21       -9.38870   0.00012   0.00000   0.00000   0.00003  -9.38867
   Z21        4.09470   0.00023   0.00000   0.00000  -0.00004   4.09467
    R1        2.92545  -0.00013   0.00009  -0.00085  -0.00100   2.92445
    R2        2.07149   0.00007  -0.00002   0.00020   0.00018   2.07168
    R3        2.07233  -0.00030   0.00001  -0.00055  -0.00054   2.07179
    R4        2.07155   0.00016  -0.00008   0.00051   0.00042   2.07197
    R5        2.85900   0.00008  -0.00014   0.00006   0.00005   2.85904
    R6        2.07810   0.00025   0.00002   0.00068   0.00070   2.07880
    R7        2.07923  -0.00005  -0.00010  -0.00039  -0.00049   2.07873
    R8        2.63084  -0.00029   0.00027  -0.00069   0.00061   2.63145
    R9        2.65378  -0.00037   0.00031  -0.00206  -0.00263   2.65115
   R10        2.65809   0.00033   0.00011  -0.00176  -0.00073   2.65737
   R11        2.03729  -0.00029   0.00023  -0.00159  -0.00136   2.03592
   R12        2.60371  -0.00011   0.00002   0.00155   0.00068   2.60439
   R13        1.91194   0.00002  -0.00006   0.00010   0.00004   1.91198
   R14        2.53075   0.00088  -0.00057   0.00095   0.00063   2.53138
   R15        2.03762  -0.00019   0.00015  -0.00094  -0.00078   2.03683
   R16        4.91272  -0.00040  -0.00082  -0.02182  -0.02220   4.89053
   R17        2.92046   0.00068   0.00050   0.00067   0.00079   2.92124
   R18        2.06508   0.00017  -0.00106   0.00177   0.00071   2.06579
   R19        2.07948  -0.00006   0.00043  -0.00091  -0.00048   2.07900
   R20        2.07612  -0.00013   0.00008  -0.00028  -0.00019   2.07593
   R21        2.91970   0.00077   0.00002   0.00089   0.00102   2.92073
   R22        2.07836  -0.00027   0.00032  -0.00017   0.00015   2.07851
   R23        2.07306   0.00005   0.00000  -0.00029  -0.00029   2.07277
   R24        2.87076   0.00020  -0.00071   0.00095   0.00036   2.87112
   R25        2.07303   0.00000   0.00027   0.00042   0.00069   2.07373
   R26        2.07940  -0.00015  -0.00001  -0.00046  -0.00048   2.07892
   R27        2.40552   0.00103   0.00044   0.00280   0.00332   2.40884
   R28        2.54745  -0.00405   0.00083  -0.00929  -0.00827   2.53918
   R29        3.64152  -0.00081  -0.00018  -0.02301  -0.02286   3.61866
   R30        2.24885   0.00379  -0.00901   0.00896  -0.00015   2.24870
   R31        2.92046  -0.00017   0.00049  -0.00256  -0.00228   2.91817
   R32        2.07179   0.00005  -0.00017   0.00049   0.00032   2.07212
   R33        2.07106   0.00004   0.00002  -0.00014  -0.00012   2.07094
   R34        2.07236  -0.00003  -0.00003   0.00036   0.00034   2.07270
   R35        2.84608   0.00015   0.00016  -0.00026  -0.00003   2.84606
   R36        2.07902  -0.00005  -0.00007   0.00010   0.00003   2.07905
   R37        2.07887   0.00008   0.00004   0.00033   0.00036   2.07923
   R38        2.61908  -0.00034  -0.00023  -0.00128  -0.00136   2.61773
   R39        2.65233   0.00041   0.00002   0.00064   0.00026   2.65259
   R40        2.65715  -0.00013   0.00104   0.00031   0.00177   2.65892
   R41        2.03853  -0.00088   0.00023  -0.00279  -0.00256   2.03597
   R42        2.59634  -0.00024  -0.00022  -0.00168  -0.00215   2.59419
   R43        1.91247  -0.00008   0.00000  -0.00004  -0.00005   1.91243
   R44        2.53099  -0.00055   0.00033  -0.00046   0.00011   2.53110
   R45        2.03537   0.00013  -0.00001   0.00011   0.00010   2.03547
   R46        4.07221   0.00028  -0.01023  -0.00162  -0.01175   4.06046
   R47        2.91865   0.00001   0.00013   0.00071   0.00091   2.91956
   R48        2.07292  -0.00014   0.00003  -0.00025  -0.00022   2.07270
   R49        2.07202   0.00004   0.00003  -0.00026  -0.00022   2.07179
   R50        2.07032   0.00000   0.00001   0.00004   0.00005   2.07037
   R51        2.84152  -0.00013  -0.00017   0.00050   0.00033   2.84185
   R52        2.07848   0.00009  -0.00019   0.00042   0.00023   2.07871
   R53        2.07918   0.00000   0.00004  -0.00030  -0.00026   2.07892
   R54        2.61375   0.00031  -0.00066   0.00158   0.00080   2.61454
   R55        2.65865   0.00003   0.00019  -0.00072  -0.00049   2.65816
   R56        2.64410  -0.00019  -0.00070  -0.00024  -0.00098   2.64312
   R57        2.03236   0.00038  -0.00028   0.00079   0.00051   2.03287
   R58        2.59845   0.00034   0.00021   0.00124   0.00153   2.59998
   R59        1.91302   0.00001  -0.00003  -0.00004  -0.00006   1.91296
   R60        2.52883  -0.00014   0.00013  -0.00047  -0.00032   2.52851
   R61        2.03739   0.00001   0.00000  -0.00018  -0.00018   2.03721
   R62        3.89684   0.00012  -0.00036   0.01579   0.01538   3.91221
   R63        3.70157   0.00119  -0.00068   0.01340   0.01292   3.71449
   R64        4.26234  -0.00121  -0.00574  -0.03241  -0.03848   4.22386
   R65        4.60020   0.00043  -0.00040  -0.00042  -0.00148   4.59872
   R66        1.86544   0.00057  -0.00040   0.00258   0.00233   1.86777
   R67        2.31587   0.00295  -0.00891   0.00890  -0.00018   2.31569
   R68        2.39984   0.00013  -0.00049  -0.00109  -0.00133   2.39850
   R69        2.58038  -0.00124   0.00101  -0.00294  -0.00163   2.57875
   R70        2.86457   0.00033  -0.00025   0.00232   0.00206   2.86664
   R71        2.76908  -0.00042   0.00113  -0.00047   0.00072   2.76980
   R72        1.91390   0.00005  -0.00015   0.00021   0.00006   1.91397
   R73        2.90943  -0.00009   0.00068   0.00076   0.00218   2.91161
   R74        2.07377  -0.00036   0.00002  -0.00131  -0.00129   2.07248
   R75        2.06816   0.00011  -0.00022  -0.00009  -0.00031   2.06785
   R76        2.40451   0.00107  -0.00120   0.00133   0.00043   2.40494
   R77        2.55870  -0.00099   0.00099  -0.00315  -0.00216   2.55654
   R78        1.91947  -0.00001   0.00010   0.00008   0.00018   1.91965
   R79        2.78414  -0.00095   0.00066  -0.00374  -0.00308   2.78106
   R80        2.07032   0.00012  -0.00009   0.00024   0.00015   2.07048
   R81        2.06191   0.00015   0.00004   0.00059   0.00063   2.06254
   R82        2.07042  -0.00001   0.00001   0.00005   0.00006   2.07048
   R83        2.07153  -0.00009   0.00007  -0.00045  -0.00038   2.07115
   R84        2.06894   0.00012  -0.00011   0.00028   0.00016   2.06910
   R85        2.06860  -0.00006   0.00005  -0.00008  -0.00003   2.06857
    A1        1.91961   0.00001   0.00001   0.00024   0.00026   1.91987
    A2        1.93943  -0.00002  -0.00028  -0.00004  -0.00032   1.93911
    A3        1.94133   0.00002   0.00004   0.00047   0.00052   1.94184
    A4        1.88131   0.00003   0.00020   0.00013   0.00033   1.88164
    A5        1.89264  -0.00005  -0.00001  -0.00077  -0.00078   1.89186
    A6        1.88777   0.00000   0.00004  -0.00007  -0.00003   1.88775
    A7        2.02193  -0.00004   0.00020  -0.00261  -0.00189   2.02004
    A8        1.89290   0.00010  -0.00001  -0.00043  -0.00029   1.89262
    A9        1.89727  -0.00010   0.00032   0.00116   0.00102   1.89828
   A10        1.89526   0.00014  -0.00145   0.00165   0.00003   1.89529
   A11        1.89631  -0.00005   0.00065   0.00099   0.00149   1.89780
   A12        1.85299  -0.00006   0.00032  -0.00064  -0.00025   1.85274
   A13        2.35119  -0.00015  -0.00084  -0.00453  -0.00381   2.34738
   A14        2.10790   0.00009   0.00012   0.00491   0.00338   2.11128
   A15        1.82021   0.00007   0.00045  -0.00052  -0.00010   1.82011
   A16        1.93047   0.00048  -0.00126   0.00300   0.00168   1.93215
   A17        2.23699  -0.00047  -0.00002  -0.00304  -0.00306   2.23393
   A18        2.11565  -0.00001   0.00129   0.00008   0.00139   2.11704
   A19        1.89704  -0.00002   0.00015  -0.00082  -0.00069   1.89635
   A20        2.18242   0.00018  -0.00031   0.00111   0.00079   2.18320
   A21        2.20358  -0.00017   0.00013  -0.00042  -0.00031   2.20327
   A22        1.93092   0.00031  -0.00079   0.00149   0.00174   1.93266
   A23        2.15938  -0.00036   0.00053  -0.00221  -0.00223   2.15715
   A24        2.19286   0.00005   0.00027   0.00078   0.00052   2.19338
   A25        1.84609  -0.00084   0.00145  -0.00299  -0.00264   1.84345
   A26        2.30550  -0.00015   0.00140   0.00307   0.00492   2.31041
   A27        1.90602   0.00133   0.00965   0.03446   0.04065   1.94667
   A28        1.93220  -0.00043   0.00035  -0.00644  -0.00610   1.92610
   A29        1.93474   0.00045  -0.00083   0.00079  -0.00006   1.93468
   A30        1.92575   0.00019  -0.00105   0.00292   0.00187   1.92761
   A31        1.90148  -0.00024   0.00181  -0.00497  -0.00317   1.89831
   A32        1.89166   0.00013   0.00042   0.00514   0.00557   1.89722
   A33        1.87656  -0.00011  -0.00064   0.00284   0.00218   1.87875
   A34        1.97949   0.00021   0.00108  -0.00293  -0.00131   1.97819
   A35        1.91134   0.00007  -0.00221   0.00514   0.00283   1.91417
   A36        1.90356  -0.00016   0.00140  -0.00401  -0.00289   1.90067
   A37        1.88974  -0.00004  -0.00245   0.00322   0.00058   1.89032
   A38        1.90555  -0.00010   0.00284  -0.00140   0.00125   1.90680
   A39        1.87110   0.00000  -0.00070   0.00019  -0.00040   1.87070
   A40        1.95649  -0.00019   0.00291  -0.00164   0.00161   1.95810
   A41        1.94430   0.00015  -0.00257  -0.00111  -0.00336   1.94094
   A42        1.92525  -0.00013   0.00208  -0.00213  -0.00055   1.92470
   A43        1.88337   0.00009  -0.00012   0.00122   0.00090   1.88427
   A44        1.89171   0.00008  -0.00172   0.00226   0.00049   1.89220
   A45        1.85915   0.00002  -0.00078   0.00172   0.00099   1.86015
   A46        2.11807  -0.00058  -0.00069  -0.00341  -0.00417   2.11390
   A47        2.03517   0.00034   0.00076   0.00351   0.00472   2.03989
   A48        2.12926   0.00021  -0.00013  -0.00056  -0.00114   2.12812
   A49        1.73463   0.00118  -0.00045   0.01045   0.00960   1.74424
   A50        1.86736   0.00031   0.00227  -0.00010   0.00119   1.86855
   A51        1.93898  -0.00006   0.00033   0.00064   0.00097   1.93995
   A52        1.92263   0.00016   0.00006  -0.00069  -0.00062   1.92201
   A53        1.93784   0.00011  -0.00060   0.00121   0.00061   1.93845
   A54        1.88139  -0.00010   0.00014  -0.00023  -0.00009   1.88129
   A55        1.89135  -0.00001   0.00030  -0.00008   0.00021   1.89156
   A56        1.88995  -0.00011  -0.00023  -0.00092  -0.00115   1.88880
   A57        1.96763   0.00072  -0.00008   0.00064   0.00090   1.96853
   A58        1.90192  -0.00028   0.00055  -0.00265  -0.00231   1.89961
   A59        1.91011  -0.00008  -0.00051   0.00190   0.00139   1.91150
   A60        1.91032  -0.00027   0.00030   0.00073   0.00092   1.91124
   A61        1.91168  -0.00017  -0.00052  -0.00003  -0.00067   1.91100
   A62        1.85900   0.00005   0.00031  -0.00067  -0.00031   1.85869
   A63        2.30398   0.00079   0.00005   0.00159   0.00194   2.30592
   A64        2.14824  -0.00022   0.00041  -0.00035  -0.00038   2.14786
   A65        1.83090  -0.00058  -0.00007  -0.00146  -0.00182   1.82908
   A66        1.91602   0.00032  -0.00016   0.00289   0.00278   1.91880
   A67        2.22609   0.00003  -0.00032  -0.00114  -0.00183   2.22426
   A68        2.13941  -0.00031   0.00153  -0.00085   0.00027   2.13968
   A69        1.89693   0.00039   0.00057   0.00057   0.00090   1.89783
   A70        2.18887  -0.00011   0.00010   0.00114   0.00119   2.19006
   A71        2.19724  -0.00028  -0.00040  -0.00151  -0.00195   2.19528
   A72        1.92071  -0.00024  -0.00036   0.00189   0.00198   1.92268
   A73        2.16646   0.00051  -0.00065   0.00152   0.00056   2.16701
   A74        2.19574  -0.00028   0.00122  -0.00369  -0.00275   2.19300
   A75        1.85967   0.00016   0.00000  -0.00262  -0.00342   1.85625
   A76        2.21329   0.00034  -0.00496  -0.00607  -0.01226   2.20103
   A77        2.20687  -0.00051   0.00563   0.00515   0.00819   2.21506
   A78        1.93926  -0.00005  -0.00042   0.00035  -0.00007   1.93919
   A79        1.94109   0.00003   0.00022  -0.00101  -0.00080   1.94029
   A80        1.92550  -0.00014   0.00047  -0.00094  -0.00046   1.92504
   A81        1.89260   0.00001   0.00005   0.00100   0.00105   1.89365
   A82        1.88336   0.00012  -0.00019   0.00067   0.00047   1.88384
   A83        1.87996   0.00004  -0.00014   0.00000  -0.00014   1.87983
   A84        1.94533  -0.00013  -0.00133   0.00096  -0.00043   1.94490
   A85        1.91040  -0.00001   0.00024  -0.00270  -0.00250   1.90790
   A86        1.90812   0.00011   0.00007   0.00200   0.00214   1.91027
   A87        1.92320   0.00001   0.00092  -0.00034   0.00060   1.92380
   A88        1.91590   0.00004   0.00022   0.00092   0.00115   1.91705
   A89        1.85884  -0.00002  -0.00005  -0.00093  -0.00099   1.85785
   A90        2.28357  -0.00041  -0.00168  -0.00223  -0.00411   2.27946
   A91        2.17051   0.00043   0.00158   0.00315   0.00488   2.17540
   A92        1.82881  -0.00001   0.00011  -0.00064  -0.00060   1.82821
   A93        1.91575  -0.00019   0.00024   0.00060   0.00092   1.91667
   A94        2.25259   0.00019  -0.00085  -0.00118  -0.00209   2.25051
   A95        2.11401   0.00001   0.00059   0.00082   0.00136   2.11537
   A96        1.89876   0.00008  -0.00031   0.00036  -0.00006   1.89870
   A97        2.19131   0.00004   0.00036   0.00072   0.00101   2.19232
   A98        2.19303  -0.00012   0.00004  -0.00088  -0.00090   2.19214
   A99        1.91095  -0.00028  -0.00012   0.00037   0.00011   1.91106
   A100       2.19033   0.00005   0.00037  -0.00122  -0.00091   2.18942
   A101       2.18190   0.00023  -0.00002   0.00086   0.00078   2.18268
   A102       1.87033   0.00042   0.00006  -0.00024  -0.00026   1.87007
   A103       2.13482  -0.00060  -0.00062   0.00253   0.00147   2.13629
   A104       2.27431   0.00017   0.00150  -0.00241  -0.00072   2.27359
   A105       1.60607   0.00027   0.00074   0.00457   0.00447   1.61054
   A106       1.45030   0.00044  -0.00056   0.00346   0.00337   1.45367
   A107       1.42781  -0.00015  -0.00216  -0.00124  -0.00300   1.42481
   A108       3.03140   0.00016   0.00662   0.00565   0.01131   3.04272
   A109       1.83326  -0.00031   0.00350  -0.00022   0.00519   1.83845
   A110       1.76782   0.00070  -0.00912   0.00461  -0.00480   1.76301
   A111       1.68121  -0.00111   0.00644  -0.00529   0.00107   1.68227
   A112       1.48822  -0.00015   0.00571   0.00587   0.00981   1.49804
   A113       2.82554   0.00007  -0.00131  -0.00157  -0.00498   2.82056
   A114       2.74241   0.00055   0.00056   0.00285   0.00393   2.74634
   A115       1.60274  -0.00030   0.00159  -0.00389  -0.00015   1.60259
   A116       1.51852  -0.00093   0.00398  -0.01222  -0.00809   1.51042
   A117       1.81756  -0.00002  -0.00135  -0.00129  -0.00468   1.81288
   A118       1.40436   0.00120   0.00069   0.01323   0.01437   1.41873
   A119       1.36731   0.00016  -0.01103  -0.01098  -0.02135   1.34596
   A120       1.81923   0.00136  -0.00423   0.01046   0.00647   1.82570
   A121       2.81840  -0.00065   0.00025  -0.00731  -0.00678   2.81162
   A122       1.62322  -0.00069   0.00489   0.00118   0.00517   1.62840
   A123       2.33592   0.00015  -0.00220   0.00081  -0.00239   2.33353
   A124       2.79853  -0.00111   0.00515  -0.00545  -0.00123   2.79730
   A125       2.12637   0.00092  -0.00002   0.00844   0.00794   2.13431
   A126       2.11280  -0.00051   0.00040  -0.00383  -0.00322   2.10958
   A127       2.04370  -0.00041  -0.00032  -0.00447  -0.00455   2.03915
   A128       2.40861  -0.00022   0.01277   0.01119   0.02225   2.43086
   A129       2.13839   0.00007  -0.00051   0.00865   0.00747   2.14587
   A130       2.07534  -0.00019   0.00034  -0.00618  -0.00553   2.06982
   A131       2.06931   0.00013   0.00018  -0.00238  -0.00191   2.06739
   A132       1.97221   0.00015  -0.00119  -0.00192  -0.00305   1.96917
   A133       1.90331  -0.00021   0.00078   0.00242   0.00280   1.90610
   A134       1.90241   0.00009   0.00012  -0.00238  -0.00191   1.90051
   A135       1.84061  -0.00022  -0.00055  -0.00203  -0.00241   1.83820
   A136       1.94840   0.00016   0.00061   0.00372   0.00411   1.95251
   A137       1.89432   0.00000   0.00029   0.00034   0.00063   1.89495
   A138       2.10011   0.00005  -0.00162  -0.00295  -0.00456   2.09554
   A139       2.01727  -0.00003   0.00129   0.00077   0.00197   2.01924
   A140       2.16234   0.00003   0.00049   0.00295   0.00347   2.16581
   A141       1.91073  -0.00017   0.00415  -0.01044  -0.00701   1.90371
   A142       2.06099   0.00005  -0.00115   0.00177   0.00052   2.06150
   A143       2.15364  -0.00037  -0.00010  -0.00094  -0.00114   2.15250
   A144       2.03160   0.00039  -0.00063   0.00669   0.00596   2.03756
   A145       1.92801   0.00013  -0.00028   0.00026  -0.00002   1.92799
   A146       1.89066   0.00000   0.00054  -0.00057  -0.00003   1.89063
   A147       1.90714   0.00020  -0.00029   0.00544   0.00515   1.91229
   A148       1.91116  -0.00004  -0.00038  -0.00127  -0.00165   1.90951
   A149       1.91887  -0.00025   0.00019  -0.00390  -0.00371   1.91517
   A150       1.90765  -0.00003   0.00022   0.00010   0.00032   1.90797
   A151       1.90146   0.00014   0.00068   0.00363   0.00431   1.90577
   A152       1.90851  -0.00011  -0.00009  -0.00317  -0.00327   1.90524
   A153       1.97565   0.00000  -0.00049   0.00025  -0.00025   1.97540
   A154       1.87499   0.00000   0.00038   0.00027   0.00066   1.87565
   A155       1.89619  -0.00002   0.00010   0.00031   0.00041   1.89661
   A156       1.90438   0.00000  -0.00052  -0.00125  -0.00178   1.90259
    D1        3.13648   0.00015  -0.00043  -0.00424  -0.00453   3.13195
    D2        1.00103  -0.00009   0.00134  -0.00424  -0.00301   0.99802
    D3       -1.00643  -0.00002   0.00080  -0.00387  -0.00310  -1.00954
    D4        1.05470   0.00012  -0.00051  -0.00453  -0.00490   1.04981
    D5       -1.08074  -0.00012   0.00126  -0.00453  -0.00339  -1.08413
    D6       -3.08821  -0.00005   0.00072  -0.00416  -0.00347  -3.09168
    D7       -1.04958   0.00011  -0.00040  -0.00475  -0.00500  -1.05457
    D8        3.09816  -0.00013   0.00137  -0.00474  -0.00349   3.09468
    D9        1.09070  -0.00005   0.00083  -0.00437  -0.00357   1.08712
   D10       -0.79506  -0.00020  -0.00841  -0.00348  -0.01250  -0.80756
   D11        2.45758  -0.00030  -0.00313  -0.00156  -0.00525   2.45233
   D12        1.33914   0.00002  -0.00943  -0.00459  -0.01418   1.32496
   D13       -1.69141  -0.00009  -0.00415  -0.00267  -0.00693  -1.69834
   D14       -2.93584   0.00000  -0.00947  -0.00394  -0.01367  -2.94951
   D15        0.31680  -0.00011  -0.00419  -0.00202  -0.00643   0.31037
   D16       -3.03639  -0.00032   0.00501  -0.00944  -0.00475  -3.04114
   D17        0.09170  -0.00006   0.00328  -0.00604  -0.00321   0.08849
   D18        0.00679  -0.00022   0.00032  -0.01084  -0.01095  -0.00416
   D19        3.13488   0.00004  -0.00141  -0.00744  -0.00941   3.12547
   D20        3.05168   0.00049  -0.00369   0.01439   0.01117   3.06285
   D21       -0.10713   0.00020  -0.00526   0.00633   0.00101  -0.10612
   D22       -0.00855   0.00043   0.00021   0.01614   0.01679   0.00824
   D23        3.11581   0.00013  -0.00137   0.00808   0.00664   3.12245
   D24       -0.00246  -0.00007  -0.00073   0.00143   0.00093  -0.00153
   D25        2.36622   0.00092   0.01915   0.06605   0.08360   2.44983
   D26       -3.13164  -0.00030   0.00084  -0.00167  -0.00046  -3.13209
   D27       -0.76296   0.00069   0.02073   0.06296   0.08222  -0.68074
   D28        0.00757  -0.00050  -0.00069  -0.01632  -0.01737  -0.00980
   D29        3.14116  -0.00015  -0.00161  -0.00734  -0.00979   3.13137
   D30       -3.11654  -0.00021   0.00091  -0.00816  -0.00708  -3.12362
   D31        0.01706   0.00014   0.00000   0.00081   0.00050   0.01756
   D32       -0.00315   0.00035   0.00086   0.00911   0.01005   0.00689
   D33       -2.56400   0.00008  -0.01007  -0.02831  -0.04054  -2.60455
   D34       -3.13656  -0.00001   0.00180  -0.00006   0.00229  -3.13427
   D35        0.58578  -0.00028  -0.00914  -0.03748  -0.04830   0.53747
   D36        1.16473  -0.00037  -0.00753   0.08114   0.07335   1.23808
   D37        2.92977   0.00031  -0.01681   0.08530   0.06805   2.99782
   D38       -0.51258   0.00079  -0.01388   0.08715   0.07298  -0.43961
   D39        2.28936   0.00018   0.01512   0.16160   0.17675   2.46611
   D40       -1.86976  -0.00049  -0.01333   0.07352   0.05979  -1.80997
   D41       -2.76855  -0.00005   0.00943   0.13522   0.14526  -2.62329
   D42       -1.00351   0.00063   0.00015   0.13938   0.13996  -0.86355
   D43        1.83733   0.00111   0.00308   0.14123   0.14488   1.98221
   D44       -1.64392   0.00050   0.03208   0.21568   0.24866  -1.39526
   D45        0.48015  -0.00018   0.00363   0.12761   0.13169   0.61184
   D46        1.12959  -0.00018   0.02483   0.05155   0.07634   1.20593
   D47       -3.04064  -0.00003   0.02078   0.05739   0.07825  -2.96239
   D48       -0.99802  -0.00008   0.01949   0.05824   0.07771  -0.92030
   D49       -0.98271   0.00011   0.02285   0.06162   0.08444  -0.89828
   D50        1.13024   0.00026   0.01880   0.06747   0.08634   1.21658
   D51       -3.11032   0.00021   0.01752   0.06832   0.08581  -3.02451
   D52       -3.05956  -0.00017   0.02489   0.05571   0.08056  -2.97900
   D53       -0.94661  -0.00002   0.02084   0.06155   0.08246  -0.86415
   D54        1.09602  -0.00007   0.01956   0.06240   0.08193   1.17795
   D55       -0.96031  -0.00001   0.00535  -0.00170   0.00370  -0.95661
   D56        1.15218   0.00008   0.00546  -0.00207   0.00360   1.15578
   D57       -3.07011   0.00011   0.00424  -0.00200   0.00237  -3.06774
   D58       -3.08537  -0.00021   0.00925  -0.00862   0.00054  -3.08484
   D59       -0.97288  -0.00013   0.00936  -0.00899   0.00043  -0.97245
   D60        1.08802  -0.00010   0.00814  -0.00892  -0.00079   1.08723
   D61        1.16619  -0.00014   0.00987  -0.00986   0.00001   1.16620
   D62       -3.00450  -0.00005   0.00997  -0.01023  -0.00009  -3.00460
   D63       -0.94361  -0.00002   0.00875  -0.01016  -0.00132  -0.94492
   D64       -0.42448   0.00028   0.00567  -0.01668  -0.01035  -0.43483
   D65        2.67808  -0.00019   0.00451  -0.02984  -0.02462   2.65346
   D66       -2.57175   0.00015   0.00708  -0.01506  -0.00779  -2.57954
   D67        0.53080  -0.00032   0.00592  -0.02823  -0.02205   0.50875
   D68        1.70458   0.00005   0.00895  -0.01886  -0.00966   1.69492
   D69       -1.47605  -0.00042   0.00778  -0.03202  -0.02393  -1.49998
   D70        2.74563  -0.00048   0.00515   0.00131   0.00711   2.75274
   D71       -0.35480   0.00002   0.00635   0.01510   0.02198  -0.33282
   D72       -2.81723  -0.00015   0.00846  -0.00098   0.00657  -2.81066
   D73        0.28505  -0.00065   0.00727  -0.01431  -0.00789   0.27716
   D74        0.26104   0.00003  -0.02398  -0.01752  -0.04021   0.22083
   D75        0.25104   0.00017  -0.03688  -0.00737  -0.04377   0.20727
   D76       -1.04402   0.00004  -0.00024  -0.00544  -0.00563  -1.04964
   D77        1.08056  -0.00002   0.00047  -0.00596  -0.00548   1.07507
   D78        3.10703  -0.00016   0.00087  -0.00719  -0.00638   3.10065
   D79       -3.12755   0.00011  -0.00067  -0.00511  -0.00573  -3.13328
   D80       -1.00298   0.00004   0.00004  -0.00563  -0.00559  -1.00857
   D81        1.02349  -0.00010   0.00044  -0.00686  -0.00648   1.01701
   D82        1.06213   0.00007  -0.00004  -0.00429  -0.00428   1.05785
   D83       -3.09649   0.00000   0.00067  -0.00481  -0.00414  -3.10062
   D84       -1.07001  -0.00014   0.00107  -0.00605  -0.00503  -1.07504
   D85        0.45681   0.00005  -0.01609  -0.06689  -0.08317   0.37364
   D86       -2.69944  -0.00081  -0.01045  -0.09000  -0.10065  -2.80009
   D87       -1.66301   0.00011  -0.01694  -0.06445  -0.08148  -1.74449
   D88        1.46393  -0.00075  -0.01130  -0.08756  -0.09896   1.36497
   D89        2.58807   0.00031  -0.01719  -0.06404  -0.08126   2.50681
   D90       -0.56818  -0.00055  -0.01155  -0.08715  -0.09874  -0.66692
   D91        3.10111   0.00059   0.01284   0.01565   0.02806   3.12917
   D92        0.02084  -0.00004  -0.00025  -0.00089  -0.00144   0.01940
   D93       -0.02777   0.00133   0.00793   0.03568   0.04321   0.01543
   D94       -3.10805   0.00070  -0.00516   0.01915   0.01371  -3.09434
   D95       -3.09902  -0.00070  -0.01073  -0.01775  -0.02810  -3.12712
   D96        0.02543  -0.00006  -0.00179  -0.00583  -0.00762   0.01781
   D97        0.03130  -0.00135  -0.00640  -0.03550  -0.04149  -0.01018
   D98       -3.12743  -0.00071   0.00254  -0.02358  -0.02101   3.13475
   D99        0.01406  -0.00081  -0.00659  -0.02286  -0.02916  -0.01510
   D100      -3.04359  -0.00056   0.01648   0.02084   0.03632  -3.00727
   D101       3.09796  -0.00021   0.00552  -0.00733  -0.00146   3.09650
   D102       0.04031   0.00004   0.02859   0.03638   0.06403   0.10434
   D103      -0.02403   0.00090   0.00256   0.02278   0.02514   0.00111
   D104       3.09342   0.00057   0.00689   0.01093   0.01713   3.11055
   D105       3.13480   0.00026  -0.00647   0.01076   0.00454   3.13934
   D106      -0.03094  -0.00007  -0.00215  -0.00109  -0.00346  -0.03440
   D107       0.00628  -0.00006   0.00239  -0.00021   0.00211   0.00838
   D108       3.06432  -0.00025  -0.01931  -0.04440  -0.06535   2.99897
   D109      -3.11067   0.00026  -0.00193   0.01180   0.01020  -3.10047
   D110      -0.05262   0.00007  -0.02364  -0.03239  -0.05726  -0.10988
   D111      -1.01354   0.00010  -0.02506   0.05333   0.02832  -0.98523
   D112      -2.46847  -0.00041  -0.02462   0.04884   0.02409  -2.44438
   D113       0.41724  -0.00005  -0.02703   0.05246   0.02580   0.44304
   D114       2.22776  -0.00002  -0.02868   0.05202   0.02197   2.24972
   D115       1.78947   0.00040  -0.00213   0.07994   0.07741   1.86687
   D116       2.22812   0.00035   0.00165   0.10594   0.10787   2.33599
   D117       0.77320  -0.00016   0.00209   0.10145   0.10364   0.87684
   D118      -2.62427   0.00020  -0.00032   0.10507   0.10535  -2.51892
   D119      -0.81376   0.00023  -0.00198   0.10463   0.10152  -0.71224
   D120      -1.25205   0.00065   0.02457   0.13255   0.15696  -1.09509
   D121      -1.05243  -0.00002  -0.00012   0.00111   0.00097  -1.05146
   D122       3.09876   0.00006  -0.00056   0.00275   0.00221   3.10097
   D123       1.06881   0.00003  -0.00067   0.00425   0.00359   1.07240
   D124       1.05770  -0.00002  -0.00019   0.00193   0.00171   1.05941
   D125      -1.07430   0.00006  -0.00064   0.00357   0.00295  -1.07135
   D126      -3.10424   0.00003  -0.00075   0.00507   0.00433  -3.09991
   D127      -3.14050  -0.00005   0.00009   0.00066   0.00072  -3.13977
   D128       1.01070   0.00003  -0.00036   0.00230   0.00196   1.01265
   D129      -1.01925   0.00000  -0.00047   0.00380   0.00335  -1.01591
   D130      -0.10945  -0.00018  -0.00190  -0.01938  -0.02119  -0.13064
   D131       3.00237   0.00019  -0.00564  -0.00479  -0.01031   2.99206
   D132       2.01514  -0.00027  -0.00185  -0.02239  -0.02423   1.99091
   D133      -1.15623   0.00010  -0.00560  -0.00779  -0.01335  -1.16958
   D134      -2.22617  -0.00026  -0.00125  -0.02317  -0.02440  -2.25057
   D135       0.88565   0.00010  -0.00499  -0.00857  -0.01351   0.87213
   D136       3.11662  -0.00010  -0.00498   0.00482   0.00000   3.11661
   D137      -0.06898   0.00023  -0.00599   0.01117   0.00522  -0.06375
   D138       0.00044  -0.00043  -0.00175  -0.00770  -0.00935  -0.00891
   D139       3.09803  -0.00010  -0.00276  -0.00135  -0.00412   3.09391
   D140      -3.12903   0.00049   0.00494   0.00808   0.01294  -3.11608
   D141       0.02583  -0.00002   0.00039  -0.00790  -0.00755   0.01828
   D142      -0.01073   0.00077   0.00204   0.01946   0.02141   0.01068
   D143      -3.13906   0.00026  -0.00251   0.00347   0.00091  -3.13814
   D144       0.01019  -0.00007   0.00082  -0.00704  -0.00629   0.00389
   D145      -3.04761   0.00009  -0.00630  -0.00547  -0.01189  -3.05949
   D146      -3.09150  -0.00038   0.00176  -0.01274  -0.01095  -3.10244
   D147       0.13390  -0.00022  -0.00537  -0.01117  -0.01654   0.11736
   D148       0.01766  -0.00086  -0.00162  -0.02482  -0.02642  -0.00875
   D149      -3.12892  -0.00040  -0.00623  -0.02301  -0.02918   3.12509
   D150      -3.13721  -0.00034   0.00295  -0.00880  -0.00591   3.14007
   D151      -0.00061   0.00012  -0.00165  -0.00699  -0.00867  -0.00927
   D152      -0.01697   0.00057   0.00050   0.01949   0.02001   0.00304
   D153       3.03173   0.00034   0.00816   0.01808   0.02634   3.05807
   D154       3.12958   0.00012   0.00510   0.01769   0.02276  -3.13084
   D155      -0.10490  -0.00011   0.01276   0.01629   0.02910  -0.07581
   D156      -1.14170  -0.00026  -0.01254   0.01051  -0.00066  -1.14236
   D157       0.44115   0.00002  -0.01080   0.01534   0.00515   0.44630
   D158      -1.99650   0.00005  -0.00259   0.00982   0.00742  -1.98908
   D159       1.93410  -0.00018  -0.00454   0.02063   0.01504   1.94913
   D160      -2.98387  -0.00004  -0.01557   0.00932  -0.00673  -2.99060
   D161       2.10496  -0.00006  -0.02128   0.01227  -0.00773   2.09723
   D162      -2.59537   0.00022  -0.01953   0.01710  -0.00192  -2.59730
   D163       1.25016   0.00026  -0.01133   0.01159   0.00035   1.25051
   D164      -1.10243   0.00003  -0.01327   0.02239   0.00797  -1.09446
   D165       0.26279   0.00016  -0.02430   0.01109  -0.01380   0.24899
   D166       1.27774   0.00044   0.00534   0.00723   0.01185   1.28958
   D167      -2.24676   0.00091   0.01253   0.04855   0.05971  -2.18705
   D168      -0.31295   0.00002   0.00562   0.00197   0.00778  -0.30517
   D169       2.44574   0.00050   0.01281   0.04330   0.05565   2.50138
   D170       2.13597   0.00021  -0.00437   0.00861   0.00467   2.14064
   D171      -1.38852   0.00068   0.00282   0.04994   0.05253  -1.33599
   D172      -1.82606   0.00045  -0.00187  -0.00268  -0.00218  -1.82824
   D173       0.93262   0.00092   0.00532   0.03865   0.04569   0.97831
   D174      -3.14043  -0.00009   0.00930   0.00461   0.01495  -3.12547
   D175      -0.38174   0.00039   0.01649   0.04594   0.06282  -0.31892
   D176       2.16165  -0.00011  -0.01308  -0.05080  -0.06473   2.09691
   D177      -2.99103   0.00045   0.00900   0.02952   0.03804  -2.95299
   D178       1.52625  -0.00027   0.01837   0.02449   0.04268   1.56893
   D179      -1.32693  -0.00072   0.01729   0.02558   0.04178  -1.28514
   D180       0.01547   0.00061   0.01496   0.03666   0.05192   0.06739
   D181       1.89230   0.00017  -0.01345  -0.03012  -0.04408   1.84822
   D182      -0.89843  -0.00018  -0.03680  -0.05787  -0.09468  -0.99311
   D183      -2.95924   0.00040  -0.01334  -0.02991  -0.04334  -3.00258
   D184       0.51751  -0.00011  -0.01058  -0.03292  -0.04420   0.47331
   D185      -1.34498   0.00028  -0.01155  -0.03066  -0.04030  -1.38528
   D186       3.01073  -0.00015   0.01581   0.01781   0.03352   3.04425
   D187      -0.01175  -0.00007   0.01367   0.00815   0.02133   0.00957
   D188      -3.12691  -0.00044   0.01697  -0.03307  -0.01521   3.14106
   D189      -0.35642   0.00017   0.02329   0.00786   0.03152  -0.32490
   D190       0.78945  -0.00062  -0.00664  -0.03645  -0.04473   0.74472
   D191      -2.37972  -0.00048  -0.00444  -0.03020  -0.03608  -2.41580
   D192       0.02545   0.00037  -0.00712   0.01132   0.00359   0.02904
   D193      -3.09776   0.00025  -0.00383   0.00564   0.00141  -3.09634
   D194      -3.08960   0.00024  -0.00927   0.00531  -0.00474  -3.09434
   D195       0.07038   0.00012  -0.00598  -0.00037  -0.00692   0.06346
   D196      -1.08470  -0.00005  -0.00317  -0.00216  -0.00537  -1.09007
   D197       0.95980  -0.00004  -0.00237  -0.00155  -0.00398   0.95582
   D198       3.08689  -0.00012  -0.00346  -0.00528  -0.00879   3.07810
   D199       2.03057   0.00010  -0.00104   0.00400   0.00301   2.03358
   D200      -2.20811   0.00011  -0.00025   0.00461   0.00440  -2.20371
   D201      -0.08103   0.00003  -0.00133   0.00088  -0.00040  -0.08143
   D202      -1.35881   0.00027   0.01305   0.02714   0.04009  -1.31873
   D203       0.68203  -0.00005   0.01215   0.02504   0.03708   0.71911
   D204       2.74736  -0.00012   0.01301   0.02548   0.03835   2.78571
   D205       1.76446   0.00038   0.00977   0.03276   0.04222   1.80668
   D206      -2.47789   0.00006   0.00887   0.03066   0.03921  -2.43867
   D207      -0.41256  -0.00001   0.00974   0.03110   0.04049  -0.37207
   D208       0.62269  -0.00086   0.00658  -0.04224  -0.03623   0.58646
   D209      -2.60480  -0.00040   0.00879  -0.03258  -0.02441  -2.62922
   D210      -1.45482  -0.00055   0.00666  -0.04283  -0.03643  -1.49124
   D211       1.60088  -0.00009   0.00887  -0.03318  -0.02461   1.57626
   D212       2.77447  -0.00051   0.00632  -0.04397  -0.03789   2.73658
   D213      -0.45302  -0.00005   0.00853  -0.03431  -0.02608  -0.47910
   D214       1.09430   0.00019   0.00147   0.03633   0.03666   1.13095
   D215      -1.95394  -0.00030  -0.00095   0.02598   0.02393  -1.93001
   D216      -0.05462  -0.00020  -0.00844   0.00017  -0.00828  -0.06291
   D217      -2.89669  -0.00056  -0.00049  -0.03070  -0.03121  -2.92789
   D218       2.99764   0.00028  -0.00628   0.00989   0.00362   3.00126
   D219       0.15557  -0.00008   0.00167  -0.02099  -0.01930   0.13627
   D220      -2.19582   0.00005  -0.00502   0.00104  -0.00397  -2.19979
   D221      -0.10259   0.00007  -0.00532  -0.00071  -0.00602  -0.10861
   D222       1.97418   0.00014  -0.00490   0.00220  -0.00269   1.97150
   D223       1.24066  -0.00025   0.00286  -0.02861  -0.02576   1.21490
   D224      -2.94929  -0.00023   0.00256  -0.03036  -0.02781  -2.97710
   D225      -0.87252  -0.00016   0.00298  -0.02745  -0.02448  -0.89700
         Item               Value     Threshold  Converged?
 Maximum Force            0.004036     0.000450     NO 
 RMS     Force            0.000474     0.000300     NO 
 Maximum Displacement     0.533615     0.001800     NO 
 RMS     Displacement     0.074436     0.001200     NO 
 Predicted change in Energy=-1.075122D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.202209    3.250432    2.925877
      2          6           0       -3.384108    2.083033    3.528212
      3          6           0       -2.065500    1.785496    2.848703
      4          6           0       -1.660327    1.643993    1.523983
      5          7           0       -0.928846    1.443880    3.596721
      6          6           0        0.092869    1.128947    2.727065
      7          7           0       -0.316872    1.234152    1.456067
      8          6           0       -5.338110    0.764070    0.060440
      9          6           0       -5.874911   -0.315075   -0.907528
     10          6           0       -5.160496   -1.677921   -0.762319
     11          6           0       -3.653422   -1.554424   -0.910098
     12          8           0       -3.132386   -0.594127   -1.566770
     13          8           0       -2.903315   -2.464346   -0.266011
     14          6           0       -2.417690    3.212138   -3.838610
     15          6           0       -1.084609    2.761989   -4.474936
     16          6           0       -0.185985    2.045813   -3.501383
     17          6           0       -0.443945    1.388352   -2.309705
     18          7           0        1.195250    1.896163   -3.701721
     19          6           0        1.718921    1.185610   -2.650332
     20          7           0        0.751035    0.866261   -1.781309
     21          6           0        4.536484    4.235709    0.519042
     22          6           0        5.068489    3.103066    1.425136
     23          6           0        4.212835    1.870529    1.323879
     24          6           0        3.004650    1.663329    0.682329
     25          7           0        4.535034    0.624615    1.891779
     26          6           0        3.545721   -0.276816    1.572963
     27          7           0        2.605462    0.332290    0.841371
     28         30           0        0.920840   -0.438567   -0.082629
     29          1           0       -5.139162    3.377179    3.480760
     30          1           0       -4.457101    3.054291    1.877770
     31          1           0       -3.643153    4.192553    2.971070
     32          1           0       -4.004105    1.174670    3.503730
     33          1           0       -3.194091    2.295333    4.590691
     34          1           0       -2.244027    1.798794    0.631770
     35          1           0       -0.872242    1.455517    4.606844
     36          1           0        1.080698    0.839968    3.047121
     37          1           0       -4.323007    1.056297   -0.220966
     38          1           0       -5.324818    0.390308    1.095080
     39          1           0       -5.980552    1.654839    0.036422
     40          1           0       -6.949904   -0.468089   -0.732161
     41          1           0       -5.762564    0.044189   -1.937779
     42          1           0       -5.368578   -2.133142    0.214253
     43          1           0       -5.527532   -2.383670   -1.522226
     44          1           0       -2.984152    2.353874   -3.458012
     45          1           0       -3.039475    3.719298   -4.585038
     46          1           0       -2.243291    3.907111   -3.008178
     47          1           0       -1.302957    2.101691   -5.327424
     48          1           0       -0.558617    3.637334   -4.884482
     49          1           0       -1.400196    1.244576   -1.834650
     50          1           0        1.716836    2.256504   -4.490565
     51          1           0        2.755485    0.905073   -2.566507
     52          1           0        4.527229    3.927977   -0.533689
     53          1           0        3.519001    4.526858    0.805286
     54          1           0        5.173705    5.122709    0.605676
     55          1           0        5.104519    3.456529    2.466186
     56          1           0        6.104002    2.863012    1.141683
     57          1           0        2.388920    2.370622    0.155215
     58          1           0        5.362190    0.422601    2.439268
     59          1           0        3.530651   -1.315905    1.859758
     60          8           0       -0.883068   -1.207759   -0.216554
     61          1           0       -1.379464   -0.579568   -0.796094
     62          1           0       -1.805248   -2.013918   -0.180196
     63          6           0        2.660774   -2.906508   -1.420165
     64          8           0        2.158697   -1.740829   -1.412224
     65          7           0        1.968469   -4.001301   -0.990840
     66          6           0        0.582219   -3.933572   -0.519621
     67          6           0        0.460472   -3.336380    0.895469
     68          8           0        1.266584   -2.427947    1.275655
     69          7           0       -0.587568   -3.775877    1.629423
     70          1           0        0.012829   -3.257906   -1.169268
     71          1           0        0.138205   -4.931854   -0.580352
     72          1           0        2.437047   -4.899193   -0.984256
     73          1           0       -1.245096   -4.413984    1.190796
     74          6           0       -1.018655   -3.140382    2.884865
     75          1           0       -1.066437   -3.879908    3.691875
     76          1           0       -0.293850   -2.366709    3.144386
     77          1           0       -2.003774   -2.681782    2.744592
     78          6           0        4.066723   -3.144897   -1.937503
     79          1           0        4.111409   -2.872380   -2.998147
     80          1           0        4.762711   -2.491902   -1.400800
     81          1           0        4.395766   -4.183192   -1.828366
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0951770      0.0712883      0.0668692
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4894.4929924327 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33660 LenP2D=  121826.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.47D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999098    0.042148   -0.004940    0.001816 Ang=   4.87 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.94917741     A.U. after   12 cycles
            NFock= 12  Conv=0.41D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33660 LenP2D=  121826.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000232162   -0.000025101   -0.000785867
      3        6           0.000344715    0.000738459   -0.001381780
      4        6           0.000576259   -0.000455213    0.000206012
      5        7          -0.000475648   -0.001337390    0.000609663
      6        6          -0.000601819   -0.000048533    0.001329588
      7        7          -0.001985293    0.002432031    0.000789657
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000617328   -0.000050539   -0.000211463
     10        6          -0.000145396    0.001234551   -0.000072084
     11        6          -0.001014343    0.000254009    0.000062572
     12        8          -0.000443326   -0.000114879    0.000293706
     13        8           0.004957089    0.001784973    0.000400632
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000180871    0.000467481   -0.000342605
     16        6           0.000966728    0.000804722   -0.000532209
     17        6          -0.000167453   -0.001197254    0.002178142
     18        7          -0.000346275   -0.000783693    0.000986762
     19        6          -0.001199944    0.000810041   -0.000393643
     20        7           0.001612242   -0.000850827   -0.002424304
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000060029    0.000130562    0.000257940
     23        6          -0.000070906   -0.000175432   -0.000051741
     24        6           0.000932078   -0.000106488    0.000812084
     25        7          -0.000398899   -0.000547901   -0.001003577
     26        6           0.000074390    0.000434789   -0.000076697
     27        7          -0.001217274    0.000863948   -0.000880501
     28       30           0.002942705   -0.000195415    0.002437673
     29        1           0.000033472   -0.000013235    0.000067079
     30        1          -0.000084787    0.000011853    0.000263637
     31        1          -0.000028821   -0.000019048    0.000017739
     32        1           0.000093096    0.000187793    0.000255370
     33        1          -0.000102518   -0.000022920    0.000062526
     34        1           0.000194034    0.000439304   -0.000144345
     35        1          -0.000253648    0.000013636   -0.000102234
     36        1           0.000195178    0.000422343   -0.000133045
     37        1          -0.000056264    0.000034107    0.000122932
     38        1          -0.000095537   -0.000182312    0.000338282
     39        1          -0.000449132   -0.000300730   -0.000127639
     40        1          -0.000438896    0.000010994   -0.000149585
     41        1           0.000044668   -0.000000233   -0.000197537
     42        1          -0.000163560   -0.000124883   -0.000313471
     43        1           0.000247267   -0.000166393   -0.000042663
     44        1          -0.000090756    0.000030767   -0.000068182
     45        1           0.000088429    0.000018652    0.000054405
     46        1           0.000091693    0.000087068   -0.000050113
     47        1          -0.000264808   -0.000148569   -0.000218565
     48        1           0.000143027   -0.000039746    0.000190800
     49        1          -0.000472657   -0.000017220    0.000182390
     50        1           0.000005890    0.000021630    0.000022691
     51        1          -0.000155530    0.000189775    0.000105793
     52        1           0.000105058    0.000071233    0.000130683
     53        1           0.000121394   -0.000082641   -0.000023938
     54        1          -0.000058032    0.000075748    0.000065595
     55        1           0.000000062    0.000123229    0.000100013
     56        1           0.000003983   -0.000014780   -0.000070578
     57        1           0.000167336   -0.000127652   -0.000765081
     58        1          -0.000086776   -0.000000781   -0.000086874
     59        1           0.000329303    0.000267640    0.000715123
     60        8          -0.001714906   -0.006609847   -0.006397205
     61        1           0.001344723    0.001033618   -0.001065449
     62        1          -0.002540602    0.000706364    0.003116577
     63        6           0.000457443    0.001563936   -0.000325018
     64        8          -0.000691724   -0.000494492    0.000799326
     65        7           0.000120325   -0.001036314    0.000697921
     66        6          -0.000658260    0.000038250    0.000190498
     67        6           0.000252545   -0.000102553   -0.001561208
     68        8          -0.001403710    0.000643479    0.002598432
     69        7           0.000319251   -0.000579988   -0.000016982
     70        1           0.000234953   -0.000024079   -0.000287234
     71        1           0.000007808    0.000262724    0.000219843
     72        1           0.000045000   -0.000018547    0.000026443
     73        1          -0.000128023    0.000196683    0.000192095
     74        6          -0.000317011   -0.000108783   -0.000293063
     75        1           0.000090089    0.000182202    0.000001662
     76        1           0.000089908    0.000063481   -0.000029707
     77        1          -0.000008681   -0.000126579   -0.000004751
     78        6          -0.000102483   -0.000134992   -0.000236357
     79        1           0.000123373    0.000032883    0.000046165
     80        1          -0.000097484   -0.000110135    0.000018405
     81        1           0.000026971   -0.000063084   -0.000056421
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006609847 RMS     0.000959427

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.004089673 RMS     0.000416739
 Search for a local minimum.
 Step number   9 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    8    9
 DE= -1.18D-03 DEPred=-1.08D-03 R= 1.09D+00
 TightC=F SS=  1.41D+00  RLast= 7.16D-01 DXNew= 4.0531D+00 2.1466D+00
 Trust test= 1.09D+00 RLast= 7.16D-01 DXMaxT set to 2.41D+00
 ITU=  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00112   0.00230   0.00230   0.00230   0.00248
     Eigenvalues ---    0.00343   0.00403   0.00478   0.00528   0.00582
     Eigenvalues ---    0.00627   0.00664   0.00736   0.00755   0.00815
     Eigenvalues ---    0.00823   0.00879   0.01002   0.01118   0.01198
     Eigenvalues ---    0.01288   0.01357   0.01365   0.01422   0.01433
     Eigenvalues ---    0.01493   0.01575   0.01608   0.01698   0.01715
     Eigenvalues ---    0.01788   0.01834   0.01843   0.01858   0.01908
     Eigenvalues ---    0.01929   0.01991   0.02084   0.02106   0.02118
     Eigenvalues ---    0.02162   0.02236   0.02275   0.02289   0.02336
     Eigenvalues ---    0.02525   0.02980   0.03175   0.03344   0.03671
     Eigenvalues ---    0.03872   0.03888   0.04096   0.04182   0.04239
     Eigenvalues ---    0.04672   0.04909   0.05000   0.05261   0.05365
     Eigenvalues ---    0.05391   0.05398   0.05399   0.05410   0.05492
     Eigenvalues ---    0.05524   0.05526   0.05540   0.05543   0.05543
     Eigenvalues ---    0.05601   0.06400   0.06505   0.06905   0.06968
     Eigenvalues ---    0.07324   0.07413   0.07466   0.07644   0.07897
     Eigenvalues ---    0.08369   0.08821   0.09185   0.09315   0.09395
     Eigenvalues ---    0.09644   0.09873   0.09955   0.10794   0.11243
     Eigenvalues ---    0.11732   0.12266   0.12657   0.12740   0.12873
     Eigenvalues ---    0.13026   0.13197   0.14568   0.15657   0.15961
     Eigenvalues ---    0.15985   0.15989   0.15992   0.15993   0.15997
     Eigenvalues ---    0.15998   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16008   0.16010   0.16021
     Eigenvalues ---    0.16064   0.16105   0.16474   0.16676   0.17387
     Eigenvalues ---    0.18858   0.19155   0.19497   0.20375   0.21361
     Eigenvalues ---    0.21521   0.21838   0.22071   0.22122   0.22169
     Eigenvalues ---    0.22580   0.22799   0.22983   0.23025   0.23445
     Eigenvalues ---    0.23586   0.23805   0.24374   0.24699   0.24942
     Eigenvalues ---    0.24990   0.25042   0.26328   0.27025   0.27466
     Eigenvalues ---    0.27808   0.27971   0.28182   0.28361   0.30206
     Eigenvalues ---    0.30624   0.31049   0.31385   0.31678   0.31720
     Eigenvalues ---    0.33583   0.33611   0.33624   0.33652   0.33663
     Eigenvalues ---    0.33713   0.33784   0.33818   0.33870   0.33900
     Eigenvalues ---    0.33924   0.33929   0.33946   0.33983   0.33987
     Eigenvalues ---    0.33991   0.34030   0.34046   0.34074   0.34075
     Eigenvalues ---    0.34096   0.34130   0.34175   0.34177   0.34182
     Eigenvalues ---    0.34215   0.34248   0.34253   0.34301   0.34614
     Eigenvalues ---    0.35647   0.35706   0.35768   0.36009   0.36224
     Eigenvalues ---    0.36322   0.36343   0.36418   0.38488   0.39304
     Eigenvalues ---    0.39523   0.41991   0.42370   0.42495   0.45143
     Eigenvalues ---    0.45222   0.45297   0.45465   0.45526   0.45582
     Eigenvalues ---    0.45591   0.45639   0.47307   0.48997   0.49110
     Eigenvalues ---    0.49307   0.49640   0.49793   0.52290   0.54415
     Eigenvalues ---    0.54858   0.54914   0.55565   0.70338   0.72955
     Eigenvalues ---    0.762331000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:     9    8    7    6
 RFO step:  Lambda=-2.63619921D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.37202   -0.13824   -0.38947    0.15569
 Iteration  1 RMS(Cart)=  0.09819498 RMS(Int)=  0.00820046
 Iteration  2 RMS(Cart)=  0.01544711 RMS(Int)=  0.00068525
 Iteration  3 RMS(Cart)=  0.00045887 RMS(Int)=  0.00064709
 Iteration  4 RMS(Cart)=  0.00000382 RMS(Int)=  0.00064709
 Iteration  5 RMS(Cart)=  0.00000001 RMS(Int)=  0.00064709
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48451   0.00005   0.00004   0.00000   0.00000   8.48451
    Y1       -0.92762   0.00028  -0.00001   0.00000   0.00000  -0.92762
    Z1        7.47499   0.00005   0.00002   0.00000   0.00000   7.47499
    X8       10.19806  -0.00036  -0.00005   0.00000   0.00000  10.19806
    Y8        1.20623  -0.00011   0.00001   0.00000   0.00000   1.20623
    Z8        0.50968  -0.00023  -0.00002   0.00000   0.00000   0.50968
   X14        7.21038  -0.00023   0.00002   0.00000   0.00000   7.21038
   Y14       -7.64140   0.00015  -0.00001   0.00000   0.00000  -7.64140
   Z14       -3.84247   0.00009   0.00001   0.00000   0.00000  -3.84247
   X21       -6.13878   0.00012  -0.00002   0.00000   0.00000  -6.13878
   Y21       -9.38867  -0.00020   0.00001   0.00000   0.00000  -9.38867
   Z21        4.09467   0.00014  -0.00001   0.00000   0.00000   4.09467
    R1        2.92445   0.00011  -0.00046  -0.00010  -0.00167   2.92278
    R2        2.07168   0.00006   0.00009   0.00033   0.00006   2.07174
    R3        2.07179  -0.00027  -0.00009  -0.00140  -0.00024   2.07155
    R4        2.07197   0.00003   0.00021   0.00028   0.00021   2.07218
    R5        2.85904  -0.00005   0.00021  -0.00158  -0.00103   2.85801
    R6        2.07880   0.00009   0.00020   0.00081   0.00101   2.07981
    R7        2.07873   0.00008  -0.00025   0.00004  -0.00021   2.07852
    R8        2.63145  -0.00075   0.00043  -0.00291  -0.00062   2.63083
    R9        2.65115   0.00069  -0.00185   0.00223  -0.00075   2.65040
   R10        2.65737   0.00043  -0.00065   0.00010   0.00082   2.65819
   R11        2.03592   0.00008  -0.00082  -0.00007  -0.00089   2.03503
   R12        2.60439  -0.00046   0.00061  -0.00084  -0.00161   2.60278
   R13        1.91198  -0.00003   0.00006  -0.00014  -0.00008   1.91190
   R14        2.53138   0.00085   0.00031   0.00227   0.00278   2.53416
   R15        2.03683  -0.00017  -0.00048  -0.00081  -0.00128   2.03555
   R16        4.89053  -0.00044  -0.01038  -0.03498  -0.04465   4.84588
   R17        2.92124   0.00070  -0.00049   0.00519   0.00352   2.92476
   R18        2.06579   0.00001   0.00102  -0.00056   0.00066   2.06645
   R19        2.07900   0.00012  -0.00058   0.00076   0.00063   2.07964
   R20        2.07593  -0.00023  -0.00007  -0.00111  -0.00122   2.07471
   R21        2.92073   0.00024  -0.00066   0.00319   0.00251   2.92323
   R22        2.07851  -0.00039   0.00018  -0.00155  -0.00138   2.07713
   R23        2.07277   0.00014  -0.00018   0.00052   0.00034   2.07311
   R24        2.87112   0.00012   0.00002   0.00111   0.00139   2.87251
   R25        2.07373  -0.00028   0.00035  -0.00067  -0.00033   2.07340
   R26        2.07892   0.00005  -0.00019  -0.00017  -0.00037   2.07855
   R27        2.40884   0.00018   0.00186   0.00273   0.00461   2.41345
   R28        2.53918  -0.00147  -0.00518  -0.00665  -0.01177   2.52741
   R29        3.61866  -0.00010  -0.01288  -0.01716  -0.02967   3.58899
   R30        2.24870   0.00409   0.00243   0.00463   0.00714   2.25583
   R31        2.91817   0.00019  -0.00195   0.00076  -0.00210   2.91607
   R32        2.07212   0.00001   0.00031   0.00008   0.00055   2.07266
   R33        2.07094   0.00004  -0.00014   0.00013  -0.00039   2.07055
   R34        2.07270  -0.00008   0.00032  -0.00017   0.00086   2.07355
   R35        2.84606   0.00005  -0.00031   0.00079   0.00085   2.84690
   R36        2.07905   0.00014   0.00013   0.00043   0.00056   2.07961
   R37        2.07923   0.00002   0.00016   0.00030   0.00046   2.07969
   R38        2.61773  -0.00013  -0.00040  -0.00125  -0.00060   2.61713
   R39        2.65259   0.00092  -0.00014   0.00365   0.00319   2.65578
   R40        2.65892  -0.00064   0.00073  -0.00064   0.00076   2.65968
   R41        2.03597  -0.00030  -0.00118  -0.00240  -0.00358   2.03239
   R42        2.59419   0.00028  -0.00134  -0.00021  -0.00212   2.59207
   R43        1.91243  -0.00003   0.00003  -0.00017  -0.00014   1.91229
   R44        2.53110  -0.00025   0.00013  -0.00057  -0.00050   2.53060
   R45        2.03547   0.00014  -0.00005   0.00079   0.00075   2.03621
   R46        4.06046   0.00089  -0.00286  -0.00283  -0.00517   4.05529
   R47        2.91956  -0.00018   0.00062  -0.00069  -0.00004   2.91952
   R48        2.07270  -0.00013  -0.00002  -0.00070  -0.00055   2.07215
   R49        2.07179   0.00009  -0.00023   0.00031  -0.00015   2.07164
   R50        2.07037  -0.00001   0.00003   0.00000   0.00005   2.07042
   R51        2.84185  -0.00032   0.00032  -0.00123  -0.00094   2.84091
   R52        2.07871   0.00012   0.00019   0.00045   0.00064   2.07935
   R53        2.07892   0.00002  -0.00022   0.00007  -0.00015   2.07877
   R54        2.61454   0.00017   0.00061   0.00068   0.00120   2.61574
   R55        2.65816   0.00015  -0.00043   0.00049   0.00009   2.65824
   R56        2.64312  -0.00006  -0.00030  -0.00088  -0.00123   2.64189
   R57        2.03287   0.00029   0.00017   0.00140   0.00157   2.03444
   R58        2.59998   0.00003   0.00078   0.00073   0.00155   2.60153
   R59        1.91296   0.00005  -0.00003   0.00011   0.00008   1.91304
   R60        2.52851  -0.00016  -0.00021  -0.00046  -0.00067   2.52784
   R61        2.03721   0.00000  -0.00006  -0.00001  -0.00007   2.03714
   R62        3.91221  -0.00084   0.01097  -0.00503   0.00590   3.91811
   R63        3.71449  -0.00003   0.00738   0.00464   0.01242   3.72691
   R64        4.22386  -0.00025  -0.01936  -0.02710  -0.04666   4.17720
   R65        4.59872   0.00061  -0.00231   0.01621   0.01360   4.61232
   R66        1.86777   0.00039   0.00139   0.00215   0.00380   1.87157
   R67        2.31569   0.00204   0.00274   0.00008   0.00290   2.31859
   R68        2.39850   0.00038  -0.00070  -0.00038  -0.00101   2.39749
   R69        2.57875  -0.00074  -0.00112  -0.00263  -0.00348   2.57527
   R70        2.86664   0.00021   0.00110   0.00180   0.00291   2.86954
   R71        2.76980  -0.00031  -0.00013  -0.00007   0.00003   2.76983
   R72        1.91397  -0.00005   0.00014  -0.00026  -0.00012   1.91385
   R73        2.91161  -0.00035   0.00122  -0.00064   0.00088   2.91249
   R74        2.07248   0.00025  -0.00069   0.00058  -0.00011   2.07237
   R75        2.06785   0.00012  -0.00020   0.00034   0.00014   2.06799
   R76        2.40494   0.00056   0.00050   0.00067   0.00113   2.40606
   R77        2.55654  -0.00030  -0.00144  -0.00116  -0.00261   2.55393
   R78        1.91965  -0.00009   0.00006  -0.00014  -0.00008   1.91957
   R79        2.78106  -0.00035  -0.00179  -0.00239  -0.00418   2.77688
   R80        2.07048   0.00015   0.00005   0.00070   0.00075   2.07122
   R81        2.06254  -0.00010   0.00029  -0.00002   0.00027   2.06281
   R82        2.07048   0.00001   0.00006   0.00005   0.00011   2.07059
   R83        2.07115  -0.00003  -0.00023  -0.00027  -0.00049   2.07066
   R84        2.06910   0.00012   0.00009   0.00053   0.00062   2.06972
   R85        2.06857  -0.00004   0.00001  -0.00019  -0.00018   2.06839
    A1        1.91987   0.00003   0.00020   0.00053   0.00129   1.92115
    A2        1.93911   0.00006  -0.00008   0.00026  -0.00014   1.93897
    A3        1.94184  -0.00006   0.00037  -0.00036   0.00054   1.94238
    A4        1.88164  -0.00001  -0.00003   0.00083   0.00021   1.88185
    A5        1.89186  -0.00001  -0.00039  -0.00095  -0.00092   1.89094
    A6        1.88775  -0.00002  -0.00009  -0.00032  -0.00105   1.88670
    A7        2.02004  -0.00027  -0.00084  -0.00597  -0.00534   2.01470
    A8        1.89262   0.00021  -0.00087   0.00522   0.00456   1.89718
    A9        1.89828  -0.00005   0.00101  -0.00178  -0.00193   1.89635
   A10        1.89529   0.00028  -0.00016   0.00557   0.00501   1.90030
   A11        1.89780  -0.00005   0.00108  -0.00210  -0.00142   1.89638
   A12        1.85274  -0.00010  -0.00017  -0.00051  -0.00053   1.85221
   A13        2.34738  -0.00011  -0.00192  -0.00513  -0.00445   2.34293
   A14        2.11128  -0.00002   0.00214   0.00515   0.00441   2.11569
   A15        1.82011   0.00016  -0.00048   0.00230   0.00187   1.82198
   A16        1.93215  -0.00002   0.00190  -0.00355  -0.00210   1.93006
   A17        2.23393  -0.00016  -0.00171  -0.00181  -0.00334   2.23059
   A18        2.11704   0.00018  -0.00021   0.00529   0.00531   2.12235
   A19        1.89635   0.00012  -0.00061   0.00103   0.00052   1.89687
   A20        2.18320   0.00020   0.00048   0.00234   0.00274   2.18594
   A21        2.20327  -0.00032   0.00010  -0.00308  -0.00306   2.20021
   A22        1.93266  -0.00027   0.00171  -0.00445  -0.00135   1.93131
   A23        2.15715   0.00004  -0.00151   0.00075  -0.00147   2.15568
   A24        2.19338   0.00023  -0.00020   0.00371   0.00281   2.19619
   A25        1.84345   0.00002  -0.00254   0.00482   0.00110   1.84455
   A26        2.31041  -0.00123   0.00193  -0.00520  -0.00204   2.30837
   A27        1.94667   0.00125   0.01846   0.04155   0.05472   2.00138
   A28        1.92610  -0.00005  -0.00334  -0.00426  -0.00734   1.91876
   A29        1.93468   0.00054  -0.00049   0.00604   0.00566   1.94034
   A30        1.92761   0.00022   0.00117   0.00240   0.00396   1.93157
   A31        1.89831  -0.00028  -0.00218  -0.00316  -0.00579   1.89252
   A32        1.89722  -0.00027   0.00349  -0.00248   0.00091   1.89814
   A33        1.87875  -0.00019   0.00152   0.00137   0.00258   1.88133
   A34        1.97819   0.00019  -0.00265   0.00322   0.00115   1.97934
   A35        1.91417   0.00016   0.00308   0.00182   0.00479   1.91897
   A36        1.90067  -0.00005  -0.00220   0.00002  -0.00242   1.89825
   A37        1.89032  -0.00011   0.00163  -0.00252  -0.00104   1.88928
   A38        1.90680  -0.00023  -0.00020  -0.00157  -0.00192   1.90488
   A39        1.87070   0.00003   0.00048  -0.00121  -0.00068   1.87002
   A40        1.95810  -0.00099  -0.00137  -0.00055  -0.00115   1.95695
   A41        1.94094   0.00066  -0.00140   0.00137   0.00013   1.94107
   A42        1.92470  -0.00015  -0.00065  -0.00225  -0.00349   1.92121
   A43        1.88427   0.00007   0.00035   0.00029   0.00030   1.88458
   A44        1.89220   0.00058   0.00212  -0.00002   0.00193   1.89414
   A45        1.86015  -0.00012   0.00120   0.00129   0.00257   1.86272
   A46        2.11390   0.00003  -0.00233  -0.00073  -0.00291   2.11099
   A47        2.03989  -0.00031   0.00281   0.00018   0.00291   2.04280
   A48        2.12812   0.00028  -0.00044  -0.00016  -0.00077   2.12735
   A49        1.74424   0.00091   0.00449   0.00716   0.01189   1.75612
   A50        1.86855  -0.00023  -0.00060   0.00136   0.00130   1.86985
   A51        1.93995  -0.00024   0.00065  -0.00201  -0.00114   1.93881
   A52        1.92201   0.00016  -0.00076   0.00197   0.00171   1.92372
   A53        1.93845   0.00016   0.00050   0.00154   0.00194   1.94039
   A54        1.88129   0.00001   0.00024  -0.00048  -0.00009   1.88120
   A55        1.89156   0.00000  -0.00009  -0.00023  -0.00090   1.89067
   A56        1.88880  -0.00010  -0.00057  -0.00086  -0.00164   1.88716
   A57        1.96853   0.00039  -0.00066   0.00486   0.00559   1.97412
   A58        1.89961  -0.00007  -0.00089  -0.00153  -0.00309   1.89652
   A59        1.91150  -0.00008   0.00060   0.00047   0.00086   1.91236
   A60        1.91124  -0.00022   0.00151  -0.00311  -0.00195   1.90929
   A61        1.91100  -0.00007  -0.00057   0.00001  -0.00094   1.91007
   A62        1.85869   0.00003   0.00005  -0.00106  -0.00086   1.85783
   A63        2.30592   0.00042   0.00086   0.00346   0.00590   2.31181
   A64        2.14786  -0.00017  -0.00028  -0.00115  -0.00306   2.14480
   A65        1.82908  -0.00024  -0.00031  -0.00257  -0.00295   1.82613
   A66        1.91880  -0.00008   0.00119  -0.00003   0.00074   1.91954
   A67        2.22426   0.00042  -0.00130   0.00285   0.00194   2.22619
   A68        2.13968  -0.00036  -0.00023  -0.00281  -0.00265   2.13703
   A69        1.89783   0.00012  -0.00051   0.00335   0.00303   1.90086
   A70        2.19006  -0.00006   0.00099  -0.00069   0.00028   2.19034
   A71        2.19528  -0.00006  -0.00065  -0.00265  -0.00331   2.19197
   A72        1.92268  -0.00065   0.00197  -0.00450  -0.00213   1.92055
   A73        2.16701   0.00055  -0.00003   0.00490   0.00469   2.17170
   A74        2.19300   0.00010  -0.00206  -0.00018  -0.00242   2.19057
   A75        1.85625   0.00087  -0.00226   0.00383   0.00140   1.85765
   A76        2.20103   0.00021  -0.00494  -0.00638  -0.00906   2.19196
   A77        2.21506  -0.00105   0.00317   0.00031   0.00137   2.21643
   A78        1.93919   0.00005   0.00030  -0.00001   0.00018   1.93937
   A79        1.94029   0.00017  -0.00073   0.00144   0.00082   1.94111
   A80        1.92504  -0.00018  -0.00036  -0.00147  -0.00186   1.92318
   A81        1.89365  -0.00013   0.00073  -0.00080  -0.00004   1.89361
   A82        1.88384   0.00009   0.00010   0.00114   0.00110   1.88494
   A83        1.87983  -0.00001  -0.00001  -0.00031  -0.00018   1.87965
   A84        1.94490  -0.00009   0.00021  -0.00081  -0.00069   1.94421
   A85        1.90790   0.00004  -0.00147  -0.00119  -0.00282   1.90508
   A86        1.91027   0.00006   0.00106   0.00199   0.00325   1.91352
   A87        1.92380  -0.00003   0.00028  -0.00078  -0.00047   1.92333
   A88        1.91705   0.00001   0.00051   0.00073   0.00125   1.91830
   A89        1.85785   0.00001  -0.00062   0.00012  -0.00050   1.85735
   A90        2.27946   0.00021  -0.00193  -0.00083  -0.00290   2.27656
   A91        2.17540  -0.00032   0.00235   0.00022   0.00271   2.17811
   A92        1.82821   0.00011  -0.00044   0.00074   0.00030   1.82851
   A93        1.91667  -0.00046   0.00073  -0.00256  -0.00184   1.91483
   A94        2.25051   0.00061  -0.00141   0.00392   0.00242   2.25293
   A95        2.11537  -0.00015   0.00066  -0.00067  -0.00010   2.11526
   A96        1.89870   0.00012  -0.00005   0.00089   0.00081   1.89951
   A97        2.19232  -0.00003   0.00047   0.00045   0.00094   2.19326
   A98        2.19214  -0.00009  -0.00047  -0.00127  -0.00172   2.19041
   A99        1.91106  -0.00039   0.00039  -0.00286  -0.00255   1.90851
   A100       2.18942   0.00019  -0.00073   0.00118   0.00045   2.18986
   A101       2.18268   0.00020   0.00034   0.00167   0.00201   2.18469
   A102       1.87007   0.00062  -0.00058   0.00387   0.00332   1.87339
   A103       2.13629  -0.00104   0.00189  -0.00465  -0.00292   2.13337
   A104       2.27359   0.00042  -0.00120   0.00153   0.00053   2.27412
   A105       1.61054   0.00031   0.00134   0.00916   0.01141   1.62196
   A106       1.45367   0.00021   0.00236   0.00132   0.00193   1.45560
   A107       1.42481   0.00026  -0.00067   0.00133   0.00281   1.42762
   A108       3.04272  -0.00003   0.00403   0.00356   0.00564   3.04836
   A109       1.83845  -0.00070   0.00209  -0.00724  -0.00495   1.83350
   A110       1.76301   0.00015   0.00163  -0.00824  -0.00642   1.75659
   A111       1.68227  -0.00082  -0.00207  -0.00145  -0.00382   1.67845
   A112       1.49804  -0.00029   0.00408   0.00215   0.00447   1.50250
   A113       2.82056   0.00046  -0.00260   0.00448   0.00011   2.82067
   A114       2.74634   0.00086   0.00159   0.01073   0.01282   2.75916
   A115       1.60259  -0.00024  -0.00049  -0.00410  -0.00361   1.59897
   A116       1.51042  -0.00056  -0.00537  -0.01373  -0.01866   1.49176
   A117       1.81288  -0.00024  -0.00262  -0.00231  -0.00601   1.80686
   A118       1.41873   0.00090   0.00635   0.02185   0.02795   1.44668
   A119       1.34596   0.00066  -0.00801  -0.00592  -0.01329   1.33266
   A120       1.82570   0.00197   0.00459   0.02189   0.02685   1.85254
   A121       2.81162  -0.00122  -0.00394  -0.01829  -0.02328   2.78834
   A122       1.62840  -0.00077   0.00154   0.00147   0.00301   1.63140
   A123       2.33353   0.00059  -0.00096   0.00061  -0.00038   2.33315
   A124       2.79730  -0.00076  -0.00277  -0.00516  -0.00703   2.79027
   A125       2.13431   0.00014   0.00378   0.00693   0.01046   2.14478
   A126       2.10958  -0.00040  -0.00141  -0.00487  -0.00616   2.10341
   A127       2.03915   0.00025  -0.00234  -0.00200  -0.00422   2.03493
   A128       2.43086  -0.00046   0.00693   0.01458   0.02040   2.45125
   A129       2.14587   0.00007   0.00390   0.00741   0.01120   2.15707
   A130       2.06982  -0.00002  -0.00295  -0.00428  -0.00722   2.06259
   A131       2.06739  -0.00005  -0.00098  -0.00289  -0.00387   2.06352
   A132       1.96917   0.00040  -0.00210   0.00346   0.00128   1.97045
   A133       1.90610  -0.00044   0.00125   0.00172   0.00288   1.90898
   A134       1.90051   0.00033  -0.00123  -0.00076  -0.00185   1.89866
   A135       1.83820   0.00021  -0.00054  -0.00008  -0.00055   1.83765
   A136       1.95251  -0.00054   0.00224  -0.00349  -0.00128   1.95123
   A137       1.89495   0.00001   0.00051  -0.00084  -0.00034   1.89461
   A138       2.09554   0.00042  -0.00273   0.00311  -0.00010   2.09544
   A139       2.01924  -0.00021   0.00067  -0.00077   0.00011   2.01935
   A140       2.16581  -0.00021   0.00202  -0.00167   0.00059   2.16640
   A141       1.90371  -0.00099  -0.00595  -0.00865  -0.01519   1.88852
   A142       2.06150   0.00018   0.00065   0.00179   0.00225   2.06375
   A143       2.15250  -0.00004  -0.00052  -0.00031  -0.00100   2.15150
   A144       2.03756  -0.00013   0.00356   0.00189   0.00529   2.04285
   A145       1.92799   0.00001  -0.00006   0.00037   0.00030   1.92830
   A146       1.89063   0.00007  -0.00045   0.00132   0.00086   1.89149
   A147       1.91229  -0.00008   0.00358   0.00065   0.00423   1.91652
   A148       1.90951   0.00005  -0.00095   0.00006  -0.00089   1.90862
   A149       1.91517   0.00001  -0.00217  -0.00170  -0.00387   1.91129
   A150       1.90797  -0.00006   0.00009  -0.00067  -0.00059   1.90738
   A151       1.90577  -0.00025   0.00235  -0.00043   0.00192   1.90769
   A152       1.90524   0.00015  -0.00208   0.00037  -0.00171   1.90353
   A153       1.97540   0.00008   0.00002   0.00030   0.00031   1.97572
   A154       1.87565   0.00001   0.00031   0.00032   0.00064   1.87629
   A155       1.89661   0.00003   0.00022  -0.00011   0.00011   1.89671
   A156       1.90259  -0.00002  -0.00079  -0.00045  -0.00124   1.90135
    D1        3.13195   0.00024  -0.00297   0.00682   0.00359   3.13554
    D2        0.99802  -0.00009  -0.00148  -0.00039  -0.00280   0.99522
    D3       -1.00954  -0.00006  -0.00135  -0.00162  -0.00357  -1.01311
    D4        1.04981   0.00019  -0.00301   0.00527   0.00258   1.05239
    D5       -1.08413  -0.00014  -0.00152  -0.00194  -0.00381  -1.08793
    D6       -3.09168  -0.00011  -0.00139  -0.00316  -0.00458  -3.09626
    D7       -1.05457   0.00021  -0.00309   0.00575   0.00365  -1.05093
    D8        3.09468  -0.00013  -0.00160  -0.00147  -0.00274   3.09194
    D9        1.08712  -0.00009  -0.00147  -0.00269  -0.00351   1.08361
   D10       -0.80756  -0.00013  -0.00112  -0.01002  -0.01241  -0.81996
   D11        2.45233  -0.00053   0.00169  -0.04115  -0.04043   2.41190
   D12        1.32496   0.00017  -0.00298  -0.00300  -0.00626   1.31870
   D13       -1.69834  -0.00023  -0.00017  -0.03412  -0.03428  -1.73262
   D14       -2.94951   0.00017  -0.00271  -0.00176  -0.00497  -2.95448
   D15        0.31037  -0.00023   0.00011  -0.03288  -0.03300   0.27738
   D16       -3.04114  -0.00015  -0.00049  -0.01805  -0.01839  -3.05953
   D17        0.08849  -0.00015  -0.00235  -0.02440  -0.02730   0.06119
   D18       -0.00416   0.00020  -0.00284   0.00971   0.00655   0.00239
   D19        3.12547   0.00020  -0.00470   0.00336  -0.00236   3.12311
   D20        3.06285  -0.00010   0.00170   0.00846   0.01073   3.07358
   D21       -0.10612   0.00026   0.00074   0.01906   0.01975  -0.08637
   D22        0.00824  -0.00038   0.00393  -0.01389  -0.00953  -0.00129
   D23        3.12245  -0.00002   0.00297  -0.00328  -0.00050   3.12195
   D24       -0.00153   0.00007   0.00067  -0.00180  -0.00106  -0.00260
   D25        2.44983   0.00078   0.03653   0.08402   0.11742   2.56725
   D26       -3.13209   0.00007   0.00239   0.00411   0.00726  -3.12483
   D27       -0.68074   0.00078   0.03826   0.08993   0.12575  -0.55499
   D28       -0.00980   0.00046  -0.00378   0.01376   0.00952  -0.00029
   D29        3.13137   0.00046  -0.00195   0.00952   0.00648   3.13785
   D30       -3.12362   0.00008  -0.00281   0.00289   0.00028  -3.12334
   D31        0.01756   0.00008  -0.00098  -0.00135  -0.00276   0.01480
   D32        0.00689  -0.00032   0.00191  -0.00731  -0.00517   0.00173
   D33       -2.60455   0.00012  -0.02010  -0.05584  -0.07894  -2.68349
   D34       -3.13427  -0.00032   0.00003  -0.00296  -0.00204  -3.13631
   D35        0.53747   0.00012  -0.02198  -0.05149  -0.07582   0.46166
   D36        1.23808  -0.00020   0.04438   0.06710   0.11123   1.34931
   D37        2.99782  -0.00007   0.04590   0.05780   0.10355   3.10138
   D38       -0.43961   0.00068   0.04667   0.06986   0.11662  -0.32298
   D39        2.46611   0.00009   0.09117   0.17544   0.26657   2.73268
   D40       -1.80997  -0.00050   0.04066   0.04485   0.08529  -1.72468
   D41       -2.62329   0.00013   0.07505   0.14503   0.22050  -2.40279
   D42       -0.86355   0.00026   0.07657   0.13573   0.21282  -0.65073
   D43        1.98221   0.00100   0.07734   0.14779   0.22589   2.20810
   D44       -1.39526   0.00042   0.12184   0.25336   0.37584  -1.01942
   D45        0.61184  -0.00017   0.07133   0.12278   0.19456   0.80640
   D46        1.20593  -0.00016   0.03911  -0.00398   0.03491   1.24084
   D47       -2.96239  -0.00005   0.04166  -0.00373   0.03783  -2.92456
   D48       -0.92030   0.00005   0.04272  -0.00415   0.03833  -0.88197
   D49       -0.89828  -0.00013   0.04443  -0.00117   0.04333  -0.85494
   D50        1.21658  -0.00002   0.04698  -0.00091   0.04625   1.26283
   D51       -3.02451   0.00008   0.04804  -0.00133   0.04675  -2.97776
   D52       -2.97900  -0.00038   0.04208  -0.00829   0.03384  -2.94516
   D53       -0.86415  -0.00027   0.04462  -0.00803   0.03676  -0.82738
   D54        1.17795  -0.00017   0.04568  -0.00845   0.03726   1.21521
   D55       -0.95661   0.00023   0.00413   0.01755   0.02165  -0.93497
   D56        1.15578   0.00010   0.00258   0.01850   0.02132   1.17710
   D57       -3.06774   0.00027   0.00275   0.01952   0.02238  -3.04535
   D58       -3.08484  -0.00002   0.00076   0.01492   0.01552  -3.06931
   D59       -0.97245  -0.00015  -0.00080   0.01587   0.01520  -0.95724
   D60        1.08723   0.00002  -0.00063   0.01689   0.01626   1.10349
   D61        1.16620   0.00012  -0.00057   0.01862   0.01794   1.18414
   D62       -3.00460  -0.00001  -0.00213   0.01957   0.01762  -2.98698
   D63       -0.94492   0.00016  -0.00195   0.02059   0.01868  -0.92624
   D64       -0.43483   0.00032  -0.01228  -0.00272  -0.01450  -0.44933
   D65        2.65346   0.00031  -0.01195  -0.01751  -0.02863   2.62483
   D66       -2.57954   0.00009  -0.00984  -0.00429  -0.01413  -2.59367
   D67        0.50875   0.00008  -0.00951  -0.01908  -0.02825   0.48049
   D68        1.69492  -0.00011  -0.01251  -0.00594  -0.01831   1.67661
   D69       -1.49998  -0.00012  -0.01218  -0.02072  -0.03243  -1.53241
   D70        2.75274  -0.00008   0.00684   0.00565   0.01352   2.76626
   D71       -0.33282  -0.00005   0.00639   0.02118   0.02823  -0.30459
   D72       -2.81066  -0.00038  -0.00364  -0.00056  -0.00511  -2.81577
   D73        0.27716  -0.00040  -0.00337  -0.01550  -0.01945   0.25772
   D74        0.22083   0.00011  -0.00994  -0.04089  -0.05014   0.17069
   D75        0.20727   0.00026  -0.01580   0.00974  -0.00504   0.20223
   D76       -1.04964   0.00006  -0.00220  -0.00708  -0.00873  -1.05837
   D77        1.07507  -0.00001  -0.00135  -0.00889  -0.00971   1.06537
   D78        3.10065  -0.00006  -0.00145  -0.01076  -0.01199   3.08866
   D79       -3.13328   0.00009  -0.00243  -0.00648  -0.00901   3.14090
   D80       -1.00857   0.00002  -0.00157  -0.00829  -0.00998  -1.01855
   D81        1.01701  -0.00003  -0.00168  -0.01016  -0.01227   1.00475
   D82        1.05785   0.00001  -0.00154  -0.00769  -0.00933   1.04852
   D83       -3.10062  -0.00006  -0.00069  -0.00950  -0.01030  -3.11092
   D84       -1.07504  -0.00011  -0.00079  -0.01137  -0.01259  -1.08763
   D85        0.37364  -0.00036  -0.04383  -0.11153  -0.15565   0.21799
   D86       -2.80009  -0.00034  -0.03583  -0.12408  -0.16043  -2.96052
   D87       -1.74449  -0.00038  -0.04333  -0.11065  -0.15406  -1.89855
   D88        1.36497  -0.00036  -0.03533  -0.12319  -0.15884   1.20613
   D89        2.50681  -0.00025  -0.04393  -0.10760  -0.15138   2.35543
   D90       -0.66692  -0.00023  -0.03593  -0.12015  -0.15616  -0.82308
   D91        3.12917  -0.00082   0.00575  -0.01665  -0.01150   3.11767
   D92        0.01940  -0.00019   0.00468  -0.01723  -0.01258   0.00682
   D93        0.01543  -0.00084  -0.00117  -0.00578  -0.00732   0.00811
   D94       -3.09434  -0.00021  -0.00224  -0.00635  -0.00840  -3.10273
   D95       -3.12712   0.00078  -0.00610   0.01449   0.00882  -3.11831
   D96        0.01781   0.00017  -0.00677   0.00754   0.00095   0.01876
   D97       -0.01018   0.00081   0.00007   0.00496   0.00532  -0.00486
   D98        3.13475   0.00020  -0.00060  -0.00199  -0.00255   3.13221
   D99       -0.01510   0.00055   0.00189   0.00441   0.00664  -0.00846
   D100      -3.00727   0.00045   0.02366   0.01952   0.04427  -2.96299
   D101       3.09650  -0.00003   0.00296   0.00508   0.00774   3.10424
   D102       0.10434  -0.00013   0.02473   0.02019   0.04538   0.14971
   D103       0.00111  -0.00050   0.00111  -0.00240  -0.00137  -0.00026
   D104       3.11055  -0.00037  -0.00126   0.00471   0.00334   3.11389
   D105       3.13934   0.00012   0.00182   0.00458   0.00652  -3.13732
   D106      -0.03440   0.00025  -0.00056   0.01169   0.01122  -0.02318
   D107       0.00838  -0.00003  -0.00182  -0.00119  -0.00315   0.00523
   D108       2.99897   0.00021  -0.02541  -0.01721  -0.04265   2.95633
   D109      -3.10047  -0.00017   0.00052  -0.00854  -0.00808  -3.10855
   D110      -0.10988   0.00007  -0.02306  -0.02456  -0.04758  -0.15745
   D111      -0.98523   0.00013   0.03652   0.05943   0.09424  -0.89098
   D112      -2.44438  -0.00014   0.03390   0.05648   0.09029  -2.35409
   D113       0.44304   0.00040   0.03595   0.06172   0.09815   0.54119
   D114       2.24972   0.00018   0.03410   0.05967   0.09270   2.34242
   D115       1.86687   0.00063   0.05003   0.12547   0.17543   2.04230
   D116       2.33599  -0.00017   0.06371   0.07750   0.13984   2.47583
   D117       0.87684  -0.00045   0.06109   0.07454   0.13589   1.01273
   D118      -2.51892   0.00010   0.06314   0.07979   0.14374  -2.37518
   D119      -0.71224  -0.00013   0.06129   0.07774   0.13829  -0.57395
   D120      -1.09509   0.00033   0.07722   0.14353   0.22102  -0.87407
   D121      -1.05146   0.00000  -0.00076   0.00768   0.00674  -1.04472
   D122       3.10097   0.00007  -0.00024   0.01000   0.00971   3.11067
   D123       1.07240   0.00000   0.00074   0.00941   0.01008   1.08249
   D124       1.05941  -0.00001  -0.00012   0.00764   0.00738   1.06679
   D125      -1.07135   0.00006   0.00040   0.00997   0.01035  -1.06100
   D126      -3.09991  -0.00001   0.00137   0.00938   0.01072  -3.08919
   D127      -3.13977  -0.00002  -0.00083   0.00722   0.00647  -3.13330
   D128       1.01265   0.00004  -0.00032   0.00955   0.00943   1.02209
   D129      -1.01591  -0.00003   0.00066   0.00896   0.00981  -1.00610
   D130      -0.13064   0.00007  -0.00913  -0.00028  -0.00915  -0.13980
   D131       2.99206   0.00010  -0.00821   0.01080   0.00291   2.99497
   D132       1.99091   0.00005  -0.01066  -0.00286  -0.01351   1.97739
   D133      -1.16958   0.00008  -0.00975   0.00821  -0.00145  -1.17102
   D134      -2.25057   0.00005  -0.01094  -0.00275  -0.01366  -2.26423
   D135       0.87213   0.00008  -0.01003   0.00833  -0.00159   0.87054
   D136       3.11661   0.00020   0.00254   0.00968   0.01243   3.12905
   D137      -0.06375   0.00042   0.00165   0.03015   0.03181  -0.03194
   D138      -0.00891   0.00018   0.00172   0.00026   0.00216  -0.00675
   D139       3.09391   0.00040   0.00083   0.02073   0.02154   3.11545
   D140      -3.11608  -0.00046  -0.00028  -0.01577  -0.01632  -3.13241
   D141       0.01828  -0.00001  -0.00379  -0.00560  -0.00950   0.00878
   D142       0.01068  -0.00043   0.00038  -0.00709  -0.00686   0.00382
   D143      -3.13814   0.00001  -0.00312   0.00308  -0.00004  -3.13818
   D144       0.00389   0.00015  -0.00325   0.00681   0.00343   0.00732
   D145      -3.05949   0.00010  -0.00615  -0.00239  -0.00886  -3.06835
   D146      -3.10244  -0.00008  -0.00239  -0.01192  -0.01423  -3.11667
   D147       0.11736  -0.00013  -0.00529  -0.02113  -0.02652   0.09084
   D148      -0.00875   0.00055  -0.00246   0.01174   0.00935   0.00060
   D149       3.12509   0.00051  -0.01077   0.01138   0.00074   3.12583
   D150       3.14007   0.00011   0.00104   0.00157   0.00253  -3.14059
   D151      -0.00927   0.00007  -0.00727   0.00120  -0.00608  -0.01536
   D152       0.00304  -0.00043   0.00346  -0.01130  -0.00781  -0.00477
   D153       3.05807  -0.00046   0.00695  -0.00148   0.00563   3.06370
   D154      -3.13084  -0.00039   0.01172  -0.01094   0.00078  -3.13006
   D155      -0.07581  -0.00042   0.01521  -0.00111   0.01422  -0.06159
   D156      -1.14236  -0.00029   0.00880  -0.03314  -0.02394  -1.16630
   D157       0.44630   0.00005   0.01044  -0.02254  -0.01117   0.43513
   D158      -1.98908   0.00011   0.00726  -0.01769  -0.01032  -1.99940
   D159       1.94913  -0.00030   0.01435  -0.02130  -0.00742   1.94172
   D160      -2.99060   0.00035   0.00614  -0.02760  -0.02136  -3.01196
   D161       2.09723  -0.00034   0.00502  -0.04468  -0.03940   2.05783
   D162      -2.59730   0.00000   0.00667  -0.03408  -0.02663  -2.62393
   D163       1.25051   0.00006   0.00348  -0.02923  -0.02578   1.22473
   D164      -1.09446  -0.00034   0.01057  -0.03284  -0.02288  -1.11734
   D165       0.24899   0.00031   0.00237  -0.03914  -0.03682   0.21217
   D166       1.28958   0.00070   0.00351   0.01931   0.02362   1.31320
   D167      -2.18705   0.00106   0.02557   0.07639   0.10213  -2.08492
   D168      -0.30517   0.00024   0.00200   0.00964   0.01118  -0.29399
   D169       2.50138   0.00060   0.02405   0.06672   0.08969   2.59107
   D170       2.14064   0.00028   0.00548   0.00369   0.00968   2.15032
   D171      -1.33599   0.00065   0.02753   0.06077   0.08819  -1.24780
   D172      -1.82824   0.00076  -0.00139   0.00801   0.00807  -1.82017
   D173       0.97831   0.00113   0.02066   0.06509   0.08658   1.06489
   D174      -3.12547  -0.00025   0.00453   0.00718   0.01258  -3.11289
   D175      -0.31892   0.00011   0.02658   0.06426   0.09109  -0.22783
   D176       2.09691  -0.00018  -0.02232  -0.11460  -0.13715   1.95976
   D177      -2.95299   0.00014   0.02425  -0.00592   0.01842  -2.93457
   D178       1.56893  -0.00003   0.02239   0.00202   0.02454   1.59347
   D179      -1.28514  -0.00077   0.02317  -0.00679   0.01583  -1.26931
   D180       0.06739   0.00046   0.02823   0.01545   0.04352   0.11091
   D181       1.84822   0.00064  -0.02253  -0.00725  -0.02847   1.81975
   D182      -0.99311   0.00005  -0.03648  -0.07662  -0.11320  -1.10630
   D183      -3.00258   0.00076  -0.02170  -0.00907  -0.03122  -3.03380
   D184       0.47331  -0.00006  -0.02332  -0.01696  -0.04087   0.43244
   D185      -1.38528   0.00060  -0.02075  -0.00968  -0.02940  -1.41468
   D186       3.04425  -0.00031   0.00989   0.04334   0.05339   3.09764
   D187       0.00957  -0.00005   0.00463   0.03148   0.03452   0.04410
   D188       3.14106  -0.00052  -0.00840  -0.07790  -0.08491   3.05615
   D189      -0.32490   0.00002   0.01339  -0.02089  -0.00720  -0.33210
   D190       0.74472  -0.00046  -0.02250  -0.03112  -0.05427   0.69046
   D191      -2.41580  -0.00055  -0.02007  -0.02727  -0.04789  -2.46369
   D192       0.02904   0.00011  -0.00084   0.02464   0.02359   0.05263
   D193      -3.09634  -0.00005  -0.00059   0.00673   0.00604  -3.09030
   D194      -3.09434   0.00022  -0.00319   0.02098   0.01747  -3.07687
   D195       0.06346   0.00006  -0.00293   0.00306  -0.00008   0.06338
   D196      -1.09007   0.00004  -0.00102  -0.00363  -0.00465  -1.09472
   D197       0.95582  -0.00001  -0.00048  -0.00327  -0.00377   0.95205
   D198       3.07810   0.00013  -0.00298  -0.00338  -0.00637   3.07174
   D199       2.03358  -0.00006   0.00137   0.00011   0.00150   2.03508
   D200      -2.20371  -0.00011   0.00191   0.00047   0.00238  -2.20133
   D201      -0.08143   0.00004  -0.00059   0.00036  -0.00022  -0.08165
   D202      -1.31873  -0.00029   0.01756   0.02000   0.03756  -1.28117
   D203       0.71911  -0.00007   0.01644   0.02310   0.03952   0.75862
   D204       2.78571  -0.00012   0.01708   0.02264   0.03969   2.82540
   D205       1.80668  -0.00013   0.01729   0.03788   0.05508   1.86176
   D206      -2.43867   0.00009   0.01617   0.04098   0.05704  -2.38163
   D207      -0.37207   0.00004   0.01680   0.04052   0.05722  -0.31486
   D208       0.58646  -0.00054  -0.01570  -0.05022  -0.06611   0.52035
   D209      -2.62922  -0.00050  -0.01617  -0.04067  -0.05702  -2.68624
   D210      -1.49124  -0.00035  -0.01574  -0.05415  -0.06997  -1.56121
   D211       1.57626  -0.00032  -0.01620  -0.04460  -0.06087   1.51539
   D212       2.73658  -0.00021  -0.01719  -0.05128  -0.06856   2.66801
   D213      -0.47910  -0.00017  -0.01765  -0.04173  -0.05947  -0.53857
   D214       1.13095  -0.00017   0.01554   0.03386   0.04908   1.18003
   D215      -1.93001  -0.00021   0.01613   0.02341   0.03920  -1.89081
   D216      -0.06291  -0.00001   0.00218  -0.00506  -0.00289  -0.06579
   D217      -2.92789  -0.00003  -0.01362  -0.01980  -0.03337  -2.96126
   D218       3.00126   0.00006   0.00149   0.00515   0.00659   3.00785
   D219       0.13627   0.00003  -0.01430  -0.00960  -0.02389   0.11238
   D220      -2.19979  -0.00009   0.00054  -0.01530  -0.01473  -2.21452
   D221      -0.10861   0.00002  -0.00094  -0.01419  -0.01510  -0.12371
   D222       1.97150  -0.00006   0.00096  -0.01384  -0.01285   1.95865
   D223       1.21490  -0.00016  -0.01456  -0.02985  -0.04444   1.17046
   D224      -2.97710  -0.00005  -0.01604  -0.02874  -0.04481  -3.02191
   D225      -0.89700  -0.00013  -0.01414  -0.02839  -0.04256  -0.93955
         Item               Value     Threshold  Converged?
 Maximum Force            0.004089     0.000450     NO 
 RMS     Force            0.000421     0.000300     NO 
 Maximum Displacement     0.931074     0.001800     NO 
 RMS     Displacement     0.108561     0.001200     NO 
 Predicted change in Energy=-1.032148D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.156474    3.460278    2.689790
      2          6           0       -3.234992    2.484324    3.458277
      3          6           0       -1.966200    2.085840    2.738061
      4          6           0       -1.677152    1.654449    1.446354
      5          7           0       -0.741229    2.001912    3.415923
      6          6           0        0.215851    1.536493    2.541612
      7          7           0       -0.317583    1.312187    1.331872
      8          6           0       -5.329719    0.761155    0.040029
      9          6           0       -5.904425   -0.385902   -0.825653
     10          6           0       -5.196167   -1.742100   -0.597566
     11          6           0       -3.689649   -1.637497   -0.770944
     12          8           0       -3.174894   -0.732871   -1.511063
     13          8           0       -2.935314   -2.478764   -0.055391
     14          6           0       -2.438003    2.881043   -4.067103
     15          6           0       -1.090742    2.424191   -4.664926
     16          6           0       -0.193265    1.754728   -3.656986
     17          6           0       -0.418641    1.275437   -2.377336
     18          7           0        1.153726    1.450388   -3.917902
     19          6           0        1.687954    0.822221   -2.821788
     20          7           0        0.760038    0.702958   -1.863649
     21          6           0        4.562105    4.212789    0.130789
     22          6           0        5.072283    3.169493    1.149659
     23          6           0        4.213192    1.935796    1.148142
     24          6           0        3.011116    1.679616    0.511457
     25          7           0        4.513835    0.747402    1.838131
     26          6           0        3.514513   -0.169255    1.600816
     27          7           0        2.595661    0.375314    0.795497
     28         30           0        0.903334   -0.458307   -0.064731
     29          1           0       -5.048447    3.684318    3.286533
     30          1           0       -4.488723    3.024307    1.740458
     31          1           0       -3.642403    4.403603    2.470040
     32          1           0       -3.807087    1.575936    3.700839
     33          1           0       -2.964138    2.941038    4.421523
     34          1           0       -2.355861    1.555328    0.616157
     35          1           0       -0.590082    2.259198    4.382650
     36          1           0        1.246823    1.384580    2.814198
     37          1           0       -4.336076    1.039543   -0.321850
     38          1           0       -5.243820    0.458550    1.094612
     39          1           0       -5.981392    1.643631   -0.003757
     40          1           0       -6.974800   -0.516469   -0.612520
     41          1           0       -5.816855   -0.107725   -1.883221
     42          1           0       -5.395071   -2.129474    0.409517
     43          1           0       -5.578311   -2.491534   -1.306186
     44          1           0       -3.003490    2.028569   -3.671506
     45          1           0       -3.051254    3.360656   -4.838093
     46          1           0       -2.286674    3.601974   -3.253856
     47          1           0       -1.291105    1.729195   -5.494320
     48          1           0       -0.569278    3.289066   -5.102220
     49          1           0       -1.342150    1.286962   -1.826258
     50          1           0        1.647242    1.657535   -4.776710
     51          1           0        2.700065    0.457431   -2.761765
     52          1           0        4.564755    3.805044   -0.887113
     53          1           0        3.543516    4.538192    0.372427
     54          1           0        5.206330    5.098922    0.142203
     55          1           0        5.086340    3.621431    2.152812
     56          1           0        6.113009    2.901570    0.914730
     57          1           0        2.417429    2.332008   -0.105749
     58          1           0        5.330906    0.590268    2.414781
     59          1           0        3.482920   -1.174642    1.988500
     60          8           0       -0.911121   -1.224974   -0.162313
     61          1           0       -1.413929   -0.661753   -0.803282
     62          1           0       -1.831207   -2.025693   -0.029315
     63          6           0        2.610460   -3.037583   -1.184318
     64          8           0        2.124556   -1.867560   -1.251679
     65          7           0        1.932033   -4.090818   -0.648043
     66          6           0        0.555145   -4.001379   -0.153529
     67          6           0        0.446277   -3.242685    1.183595
     68          8           0        1.280423   -2.322716    1.464635
     69          7           0       -0.612009   -3.569094    1.958186
     70          1           0       -0.049669   -3.424444   -0.863451
     71          1           0        0.139860   -5.011371   -0.082644
     72          1           0        2.405111   -4.984363   -0.589179
     73          1           0       -1.287037   -4.235078    1.593999
     74          6           0       -1.002769   -2.806773    3.152124
     75          1           0       -1.089564   -3.470832    4.019767
     76          1           0       -0.235361   -2.055318    3.346998
     77          1           0       -1.961998   -2.307247    2.976241
     78          6           0        3.998866   -3.328291   -1.726211
     79          1           0        4.012781   -3.141376   -2.805805
     80          1           0        4.714712   -2.640478   -1.263562
     81          1           0        4.326069   -4.356837   -1.544378
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0947026      0.0713813      0.0670709
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4894.2960801356 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  121823.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.47D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.998955    0.045210   -0.005394    0.004009 Ang=   5.24 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.95076873     A.U. after   13 cycles
            NFock= 13  Conv=0.76D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  121823.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000273455    0.000398685   -0.000192790
      3        6           0.000673508   -0.000343046   -0.000656416
      4        6          -0.000445149    0.000356031    0.000371644
      5        7          -0.000333709   -0.000156390    0.000460525
      6        6           0.000939893   -0.001159568    0.000542895
      7        7          -0.003504747    0.002245024    0.001634302
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000092330   -0.000415344    0.000074128
     10        6          -0.000036537    0.000874531   -0.000156561
     11        6           0.001928197   -0.004201033    0.001110323
     12        8           0.000262340    0.001258598   -0.000481297
     13        8           0.001083221    0.004780777    0.000219713
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000413221    0.000132361   -0.000655471
     16        6           0.000244620    0.000831566   -0.000457000
     17        6          -0.001138014   -0.001267224    0.000778847
     18        7           0.000025033   -0.001966526   -0.000231927
     19        6          -0.000697073    0.001200417    0.000328385
     20        7           0.002375163   -0.000652220   -0.001160613
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000113370    0.000193641    0.000476309
     23        6           0.000431367   -0.000244403   -0.000095157
     24        6          -0.000284330   -0.000403117    0.000026724
     25        7          -0.000193569   -0.000056905    0.000137171
     26        6          -0.000477065   -0.001148071   -0.000916576
     27        7          -0.000321313    0.001564070   -0.001351556
     28       30           0.005204809    0.000535176    0.003743324
     29        1           0.000071817    0.000035006    0.000102963
     30        1          -0.000084631   -0.000082771    0.000351038
     31        1          -0.000169280    0.000098117    0.000024995
     32        1           0.000069663   -0.000400584    0.000245207
     33        1          -0.000128155    0.000257021    0.000135571
     34        1          -0.000151664    0.000519572   -0.000515280
     35        1           0.000048882    0.000210080   -0.000012017
     36        1           0.000364566    0.000345681   -0.000087039
     37        1           0.000411888   -0.000271819    0.000053571
     38        1           0.000593360    0.000154225   -0.000011632
     39        1          -0.000072961   -0.000389404   -0.000224149
     40        1          -0.000136855    0.000239667    0.000228181
     41        1           0.000097041    0.000023562   -0.000016150
     42        1          -0.000146030   -0.000124733   -0.000302862
     43        1           0.000202789    0.000009387   -0.000091037
     44        1          -0.000240562    0.000025570    0.000097917
     45        1          -0.000095488   -0.000202930   -0.000057735
     46        1           0.000137339   -0.000042101   -0.000234086
     47        1          -0.000502697   -0.000087004   -0.000229259
     48        1           0.000252653   -0.000101527    0.000270863
     49        1           0.000018386    0.000497723    0.000978735
     50        1           0.000193458   -0.000172131   -0.000025316
     51        1           0.000254921    0.000271892   -0.000144512
     52        1           0.000084389   -0.000054322    0.000027866
     53        1           0.000156368    0.000034673   -0.000006292
     54        1           0.000056161   -0.000051114   -0.000041361
     55        1          -0.000187320    0.000223307   -0.000048184
     56        1           0.000108116   -0.000247156   -0.000182538
     57        1          -0.000284843    0.000217382   -0.000357636
     58        1          -0.000067395   -0.000163968    0.000009439
     59        1           0.000615147    0.000195485    0.000604578
     60        8          -0.002061098   -0.004476548   -0.007318422
     61        1           0.000122762    0.001077577   -0.001177736
     62        1          -0.002934756   -0.001240839    0.003783621
     63        6          -0.001565657   -0.000018143   -0.000051252
     64        8          -0.000213256   -0.000022775   -0.001313011
     65        7           0.000786115    0.000071579    0.000160845
     66        6           0.000294339   -0.000912497    0.001100005
     67        6          -0.001594711   -0.000279344   -0.001585543
     68        8           0.000097416    0.001411357    0.002572442
     69        7          -0.000517812    0.000275249   -0.000698145
     70        1           0.000343467   -0.000460955   -0.000574563
     71        1           0.000015865    0.000142334    0.000230342
     72        1           0.000201881    0.000136390    0.000055421
     73        1           0.000369191    0.000049163    0.000368425
     74        6           0.000502864    0.000179283    0.000978446
     75        1          -0.000036420    0.000014287   -0.000222794
     76        1           0.000169559    0.000075177   -0.000087525
     77        1          -0.000020409   -0.000297224   -0.000132765
     78        6          -0.000209535    0.000003308    0.000513720
     79        1           0.000289055    0.000013300   -0.000053012
     80        1          -0.000003651   -0.000062611   -0.000163962
     81        1          -0.000021620   -0.000042397   -0.000196874
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007318422 RMS     0.001067586

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003482096 RMS     0.000502855
 Search for a local minimum.
 Step number  10 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points    9   10
 DE= -1.59D-03 DEPred=-1.03D-03 R= 1.54D+00
 TightC=F SS=  1.41D+00  RLast= 1.02D+00 DXNew= 4.0531D+00 3.0527D+00
 Trust test= 1.54D+00 RLast= 1.02D+00 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00041   0.00230   0.00230   0.00232   0.00235
     Eigenvalues ---    0.00340   0.00394   0.00469   0.00528   0.00582
     Eigenvalues ---    0.00640   0.00670   0.00741   0.00757   0.00803
     Eigenvalues ---    0.00826   0.00875   0.00967   0.01102   0.01219
     Eigenvalues ---    0.01287   0.01354   0.01365   0.01407   0.01447
     Eigenvalues ---    0.01481   0.01487   0.01617   0.01664   0.01730
     Eigenvalues ---    0.01822   0.01830   0.01852   0.01861   0.01892
     Eigenvalues ---    0.01915   0.01990   0.02081   0.02114   0.02148
     Eigenvalues ---    0.02164   0.02215   0.02279   0.02285   0.02299
     Eigenvalues ---    0.02490   0.03046   0.03135   0.03365   0.03682
     Eigenvalues ---    0.03886   0.03922   0.04080   0.04173   0.04288
     Eigenvalues ---    0.04671   0.04893   0.05041   0.05267   0.05362
     Eigenvalues ---    0.05381   0.05390   0.05397   0.05404   0.05468
     Eigenvalues ---    0.05519   0.05530   0.05534   0.05537   0.05553
     Eigenvalues ---    0.05616   0.06361   0.06523   0.06901   0.06952
     Eigenvalues ---    0.07395   0.07420   0.07463   0.07620   0.07772
     Eigenvalues ---    0.08384   0.09014   0.09190   0.09309   0.09447
     Eigenvalues ---    0.09715   0.09829   0.10000   0.10617   0.11210
     Eigenvalues ---    0.11644   0.12274   0.12721   0.12773   0.12874
     Eigenvalues ---    0.12984   0.13172   0.14548   0.15720   0.15933
     Eigenvalues ---    0.15980   0.15992   0.15995   0.15996   0.15998
     Eigenvalues ---    0.15998   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16010   0.16014   0.16041
     Eigenvalues ---    0.16100   0.16122   0.16713   0.17075   0.17643
     Eigenvalues ---    0.18824   0.19192   0.19581   0.20508   0.21411
     Eigenvalues ---    0.21504   0.21951   0.22042   0.22135   0.22240
     Eigenvalues ---    0.22593   0.22811   0.23080   0.23230   0.23535
     Eigenvalues ---    0.23594   0.24209   0.24557   0.24703   0.24945
     Eigenvalues ---    0.25014   0.25108   0.26561   0.27119   0.27473
     Eigenvalues ---    0.27787   0.28169   0.28266   0.28356   0.30210
     Eigenvalues ---    0.30504   0.30744   0.31360   0.31630   0.31718
     Eigenvalues ---    0.33596   0.33611   0.33622   0.33652   0.33664
     Eigenvalues ---    0.33715   0.33792   0.33822   0.33870   0.33906
     Eigenvalues ---    0.33928   0.33935   0.33947   0.33984   0.33988
     Eigenvalues ---    0.33998   0.34030   0.34047   0.34074   0.34076
     Eigenvalues ---    0.34096   0.34131   0.34173   0.34177   0.34186
     Eigenvalues ---    0.34247   0.34250   0.34256   0.34303   0.34615
     Eigenvalues ---    0.35694   0.35739   0.35837   0.36011   0.36239
     Eigenvalues ---    0.36325   0.36402   0.36628   0.38638   0.39289
     Eigenvalues ---    0.39417   0.42118   0.42367   0.42521   0.45177
     Eigenvalues ---    0.45288   0.45317   0.45465   0.45559   0.45582
     Eigenvalues ---    0.45599   0.45642   0.47369   0.49015   0.49106
     Eigenvalues ---    0.49333   0.49631   0.50121   0.52476   0.54644
     Eigenvalues ---    0.54874   0.54948   0.55711   0.72762   0.73005
     Eigenvalues ---    0.763571000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    10    9    8    7    6
 RFO step:  Lambda=-4.00896122D-04.
 EnCoef did   100 forward-backward iterations
 DidBck=T Rises=F  En-DIIS coefs:    0.74693    0.00000    0.00124    0.00409    0.24774
 Iteration  1 RMS(Cart)=  0.15863442 RMS(Int)=  0.10634396
 Iteration  2 RMS(Cart)=  0.16000639 RMS(Int)=  0.05994480
 Iteration  3 RMS(Cart)=  0.10289068 RMS(Int)=  0.02964231
 Iteration  4 RMS(Cart)=  0.03996501 RMS(Int)=  0.01328858
 Iteration  5 RMS(Cart)=  0.01611928 RMS(Int)=  0.00515994
 Iteration  6 RMS(Cart)=  0.00114396 RMS(Int)=  0.00515446
 Iteration  7 RMS(Cart)=  0.00001464 RMS(Int)=  0.00515446
 Iteration  8 RMS(Cart)=  0.00000028 RMS(Int)=  0.00515446
 Iteration  1 RMS(Cart)=  0.15125326 RMS(Int)=  0.08856718
 Iteration  2 RMS(Cart)=  0.15316105 RMS(Int)=  0.04512091
 Iteration  3 RMS(Cart)=  0.08366885 RMS(Int)=  0.02015309
 Iteration  4 RMS(Cart)=  0.02357313 RMS(Int)=  0.00576519
 Iteration  5 RMS(Cart)=  0.00553526 RMS(Int)=  0.00385776
 New curvilinear step failed, DQL= 1.30D-03 SP=-1.61D-02.
 ITry= 2 IFail=1 DXMaxC= 2.92D+00 DCOld= 3.27D+00 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.14599177 RMS(Int)=  0.07097699
 Iteration  2 RMS(Cart)=  0.13426757 RMS(Int)=  0.03162656
 Iteration  3 RMS(Cart)=  0.05465448 RMS(Int)=  0.01197776
 Iteration  4 RMS(Cart)=  0.01583572 RMS(Int)=  0.00277388
 Iteration  5 RMS(Cart)=  0.00088968 RMS(Int)=  0.00275168
 New curvilinear step failed, DQL= 6.60D-04 SP=-5.36D-03.
 ITry= 3 IFail=1 DXMaxC= 2.56D+00 DCOld= 3.27D+00 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.14528136 RMS(Int)=  0.05383720
 Iteration  2 RMS(Cart)=  0.10614455 RMS(Int)=  0.02047359
 Iteration  3 RMS(Cart)=  0.03526671 RMS(Int)=  0.00414768
 Iteration  4 RMS(Cart)=  0.00538562 RMS(Int)=  0.00187061
 Iteration  5 RMS(Cart)=  0.00003083 RMS(Int)=  0.00187061
 Iteration  6 RMS(Cart)=  0.00000010 RMS(Int)=  0.00187061
 ITry= 4 IFail=0 DXMaxC= 2.19D+00 DCOld= 3.27D+00 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48451  -0.00046  -0.00003   0.00000   0.00000   8.48451
    Y1       -0.92762   0.00038   0.00001   0.00000   0.00000  -0.92762
    Z1        7.47499   0.00053  -0.00001   0.00000   0.00000   7.47499
    X8       10.19806   0.00099   0.00004   0.00000   0.00000  10.19806
    Y8        1.20623  -0.00043  -0.00001   0.00000   0.00000   1.20623
    Z8        0.50968   0.00023   0.00001   0.00000   0.00000   0.50968
   X14        7.21038  -0.00040  -0.00002   0.00000   0.00000   7.21038
   Y14       -7.64140  -0.00052   0.00001   0.00000   0.00000  -7.64140
   Z14       -3.84247  -0.00025  -0.00001   0.00000   0.00000  -3.84247
   X21       -6.13878   0.00019   0.00001   0.00000   0.00000  -6.13878
   Y21       -9.38867  -0.00046  -0.00001   0.00000   0.00000  -9.38867
   Z21        4.09467  -0.00023   0.00001   0.00000   0.00000   4.09467
    R1        2.92278   0.00042   0.00058  -0.00218  -0.00132   2.92146
    R2        2.07174   0.00012  -0.00005   0.00097   0.00066   2.07240
    R3        2.07155  -0.00036   0.00006  -0.00228   0.00093   2.07248
    R4        2.07218  -0.00005  -0.00006   0.00032  -0.00210   2.07008
    R5        2.85801   0.00001   0.00032  -0.00078  -0.00028   2.85773
    R6        2.07981  -0.00042  -0.00042   0.00035  -0.00016   2.07965
    R7        2.07852   0.00018   0.00045  -0.00015   0.00035   2.07888
    R8        2.63083  -0.00047  -0.00075   0.00029   0.00255   2.63338
    R9        2.65040   0.00018   0.00117  -0.00591  -0.00533   2.64507
   R10        2.65819  -0.00019   0.00017   0.00279   0.00433   2.66252
   R11        2.03503   0.00017   0.00045  -0.00265  -0.00140   2.03363
   R12        2.60278   0.00019  -0.00018  -0.00355  -0.00541   2.59736
   R13        1.91190   0.00003   0.00007  -0.00004   0.00005   1.91195
   R14        2.53416  -0.00006   0.00017   0.00746   0.00593   2.54009
   R15        2.03555  -0.00038   0.00042  -0.00752  -0.00483   2.03071
   R16        4.84588   0.00000   0.02080  -0.14520  -0.07950   4.76638
   R17        2.92476  -0.00031  -0.00124   0.00728  -0.00110   2.92366
   R18        2.06645  -0.00014   0.00094   0.00022   0.00134   2.06779
   R19        2.07964  -0.00008  -0.00046   0.00164   0.00066   2.08029
   R20        2.07471   0.00004   0.00019  -0.00325   0.00033   2.07504
   R21        2.92323  -0.00003   0.00017   0.00651   0.00226   2.92550
   R22        2.07713   0.00002  -0.00044  -0.00272  -0.00235   2.07478
   R23        2.07311   0.00001   0.00007   0.00083   0.00065   2.07376
   R24        2.87251   0.00001   0.00108   0.00213   0.00252   2.87503
   R25        2.07340  -0.00027  -0.00073  -0.00121  -0.00158   2.07182
   R26        2.07855   0.00014   0.00026  -0.00077  -0.00028   2.07827
   R27        2.41345  -0.00127  -0.00356   0.01710   0.00982   2.42327
   R28        2.52741   0.00278   0.00568  -0.03751  -0.02277   2.50464
   R29        3.58899   0.00038   0.01832  -0.11076  -0.05706   3.53194
   R30        2.25583   0.00348   0.01339   0.02034   0.02616   2.28199
   R31        2.91607   0.00026   0.00132  -0.00882  -0.00268   2.91339
   R32        2.07266  -0.00005  -0.00008   0.00168   0.00140   2.07407
   R33        2.07055   0.00006   0.00018  -0.00124  -0.00235   2.06820
   R34        2.07355  -0.00023  -0.00045   0.00210   0.00119   2.07474
   R35        2.84690  -0.00032  -0.00019   0.00098   0.00218   2.84908
   R36        2.07961   0.00014  -0.00014   0.00242   0.00155   2.08116
   R37        2.07969   0.00007  -0.00031   0.00242   0.00139   2.08109
   R38        2.61713   0.00046   0.00085   0.00192   0.00298   2.62011
   R39        2.65578   0.00012  -0.00065   0.00771   0.00555   2.66132
   R40        2.65968  -0.00111  -0.00278   0.00236  -0.00025   2.65943
   R41        2.03239   0.00070   0.00135  -0.00846  -0.00457   2.02782
   R42        2.59207   0.00101   0.00209  -0.00573  -0.00139   2.59068
   R43        1.91229   0.00009  -0.00001   0.00007   0.00004   1.91233
   R44        2.53060   0.00003  -0.00064   0.00003  -0.00106   2.52953
   R45        2.03621  -0.00022  -0.00011   0.00008  -0.00006   2.03616
   R46        4.05529   0.00133   0.02289  -0.01768   0.01170   4.06700
   R47        2.91952  -0.00029  -0.00078  -0.00104  -0.00351   2.91601
   R48        2.07215  -0.00001   0.00008  -0.00152  -0.00019   2.07196
   R49        2.07164   0.00015   0.00019   0.00006  -0.00009   2.07155
   R50        2.07042   0.00000  -0.00007   0.00031   0.00075   2.07118
   R51        2.84091  -0.00023   0.00028  -0.00468  -0.00360   2.83731
   R52        2.07935   0.00000   0.00004   0.00162   0.00118   2.08053
   R53        2.07877   0.00000   0.00015  -0.00065  -0.00030   2.07847
   R54        2.61574  -0.00009   0.00047   0.00203   0.00259   2.61833
   R55        2.65824  -0.00026  -0.00001  -0.00165  -0.00163   2.65661
   R56        2.64189   0.00020   0.00188  -0.00506  -0.00177   2.64012
   R57        2.03444  -0.00030   0.00004   0.00226   0.00163   2.03607
   R58        2.60153   0.00013  -0.00142   0.00751   0.00307   2.60460
   R59        1.91304   0.00003   0.00006   0.00029   0.00026   1.91330
   R60        2.52784  -0.00035   0.00008  -0.00327  -0.00224   2.52561
   R61        2.03714  -0.00010   0.00005  -0.00081  -0.00051   2.03663
   R62        3.91811  -0.00051  -0.01028   0.02911   0.01010   3.92821
   R63        3.72691  -0.00154  -0.00782   0.02865   0.01325   3.74015
   R64        4.17720   0.00116   0.03828  -0.16128  -0.07352   4.10369
   R65        4.61232   0.00038  -0.00040   0.06267   0.04536   4.65767
   R66        1.87157  -0.00002  -0.00131   0.01259   0.00828   1.87985
   R67        2.31859  -0.00025   0.01392  -0.00783   0.00791   2.32651
   R68        2.39749   0.00026   0.00179  -0.00413  -0.00154   2.39595
   R69        2.57527   0.00032  -0.00015  -0.00877  -0.00769   2.56758
   R70        2.86954  -0.00006  -0.00111   0.00878   0.00505   2.87459
   R71        2.76983  -0.00011  -0.00201   0.00089  -0.00235   2.76748
   R72        1.91385  -0.00008   0.00018  -0.00077  -0.00035   1.91349
   R73        2.91249  -0.00034  -0.00255   0.00519  -0.00077   2.91172
   R74        2.07237   0.00068   0.00055   0.00185   0.00185   2.07422
   R75        2.06799   0.00003   0.00058  -0.00019   0.00045   2.06845
   R76        2.40606  -0.00034   0.00161   0.00117   0.00229   2.40836
   R77        2.55393   0.00056  -0.00006  -0.00466  -0.00331   2.55062
   R78        1.91957  -0.00002  -0.00022  -0.00011  -0.00029   1.91927
   R79        2.77688   0.00067   0.00122  -0.01014  -0.00587   2.77100
   R80        2.07122  -0.00005  -0.00005   0.00170   0.00115   2.07237
   R81        2.06281  -0.00019  -0.00037   0.00033  -0.00013   2.06268
   R82        2.07059   0.00002  -0.00011   0.00069   0.00038   2.07098
   R83        2.07066   0.00009   0.00018  -0.00109  -0.00058   2.07008
   R84        2.06972  -0.00008   0.00000   0.00112   0.00079   2.07051
   R85        2.06839   0.00005  -0.00006  -0.00004  -0.00008   2.06832
    A1        1.92115   0.00001  -0.00053   0.00531   0.00328   1.92444
    A2        1.93897   0.00020   0.00063   0.00189   0.00071   1.93968
    A3        1.94238  -0.00032  -0.00054  -0.00276  -0.00110   1.94129
    A4        1.88185  -0.00002  -0.00037   0.00253  -0.00026   1.88160
    A5        1.89094   0.00010   0.00055  -0.00338  -0.00030   1.89064
    A6        1.88670   0.00004   0.00028  -0.00370  -0.00243   1.88426
    A7        2.01470  -0.00032   0.00158  -0.01306  -0.00750   2.00720
    A8        1.89718   0.00008  -0.00025   0.01132   0.00975   1.90693
    A9        1.89635   0.00011  -0.00107  -0.00389  -0.00599   1.89036
   A10        1.90030   0.00025   0.00177   0.01243   0.01042   1.91071
   A11        1.89638   0.00003  -0.00186  -0.00142  -0.00290   1.89348
   A12        1.85221  -0.00013  -0.00034  -0.00496  -0.00378   1.84842
   A13        2.34293   0.00033   0.00429  -0.01270  -0.00024   2.34269
   A14        2.11569  -0.00005  -0.00315   0.01359   0.00133   2.11702
   A15        1.82198  -0.00027  -0.00087   0.00171   0.00061   1.82259
   A16        1.93006   0.00069   0.00123   0.00157   0.00162   1.93167
   A17        2.23059  -0.00001   0.00227  -0.01273  -0.00651   2.22407
   A18        2.12235  -0.00068  -0.00346   0.01028   0.00413   2.12648
   A19        1.89687  -0.00018   0.00012   0.00012   0.00016   1.89703
   A20        2.18594   0.00003  -0.00049   0.00719   0.00454   2.19048
   A21        2.20021   0.00016   0.00038  -0.00712  -0.00462   2.19559
   A22        1.93131   0.00030   0.00033   0.00326   0.00539   1.93670
   A23        2.15568  -0.00021   0.00063  -0.01011  -0.00785   2.14783
   A24        2.19619  -0.00009  -0.00096   0.00692   0.00241   2.19860
   A25        1.84455  -0.00053  -0.00080  -0.00665  -0.00786   1.83669
   A26        2.30837  -0.00208  -0.00360  -0.03097  -0.01980   2.28858
   A27        2.00138   0.00261  -0.04677   0.24269   0.11129   2.11268
   A28        1.91876   0.00024   0.00385  -0.02190  -0.01002   1.90874
   A29        1.94034  -0.00023   0.00073   0.01257   0.01116   1.95150
   A30        1.93157  -0.00016   0.00009   0.00464   0.00356   1.93513
   A31        1.89252   0.00034  -0.00025  -0.00349  -0.00277   1.88975
   A32        1.89814  -0.00029  -0.00398   0.00039  -0.00551   1.89263
   A33        1.88133   0.00011  -0.00069   0.00803   0.00327   1.88460
   A34        1.97934   0.00037   0.00022   0.00436  -0.00057   1.97878
   A35        1.91897  -0.00012   0.00027   0.00976   0.00845   1.92741
   A36        1.89825  -0.00012  -0.00022  -0.00638  -0.00349   1.89476
   A37        1.88928  -0.00010   0.00345  -0.00895  -0.00183   1.88745
   A38        1.90488  -0.00017  -0.00473   0.00163  -0.00262   1.90226
   A39        1.87002   0.00012   0.00098  -0.00065   0.00002   1.87004
   A40        1.95695  -0.00072  -0.00377  -0.00475  -0.00732   1.94963
   A41        1.94107   0.00057   0.00606  -0.00309   0.00401   1.94508
   A42        1.92121  -0.00014  -0.00260  -0.00844  -0.00848   1.91273
   A43        1.88458  -0.00002  -0.00007  -0.00008  -0.00012   1.88446
   A44        1.89414   0.00047   0.00072   0.00869   0.00691   1.90105
   A45        1.86272  -0.00013  -0.00025   0.00876   0.00585   1.86857
   A46        2.11099   0.00023   0.00400  -0.01162  -0.00195   2.10904
   A47        2.04280  -0.00051  -0.00457   0.01442   0.00339   2.04620
   A48        2.12735   0.00030   0.00076  -0.00252  -0.00102   2.12632
   A49        1.75612   0.00042  -0.00553   0.03715   0.02254   1.77866
   A50        1.86985  -0.00094  -0.00400  -0.00144  -0.00509   1.86476
   A51        1.93881  -0.00016  -0.00093  -0.00226  -0.00338   1.93543
   A52        1.92372  -0.00025   0.00017   0.00085   0.00097   1.92469
   A53        1.94039   0.00016   0.00025   0.00669   0.00413   1.94452
   A54        1.88120   0.00027  -0.00054   0.00592   0.00451   1.88572
   A55        1.89067   0.00000  -0.00023  -0.00236  -0.00220   1.88847
   A56        1.88716  -0.00001   0.00130  -0.00911  -0.00408   1.88308
   A57        1.97412   0.00000  -0.00041   0.02033   0.01704   1.99116
   A58        1.89652   0.00023   0.00031  -0.00686  -0.00540   1.89111
   A59        1.91236  -0.00010   0.00036   0.00069  -0.00032   1.91204
   A60        1.90929  -0.00037  -0.00158  -0.01472  -0.01268   1.89661
   A61        1.91007   0.00024   0.00178   0.00056   0.00122   1.91129
   A62        1.85783   0.00000  -0.00050  -0.00140  -0.00113   1.85670
   A63        2.31181   0.00036  -0.00224   0.02889   0.01972   2.33154
   A64        2.14480  -0.00074   0.00022  -0.02277  -0.01662   2.12818
   A65        1.82613   0.00038   0.00095  -0.00657  -0.00431   1.82183
   A66        1.91954  -0.00003  -0.00075   0.00421   0.00202   1.92156
   A67        2.22619   0.00071   0.00127   0.01310   0.01096   2.23715
   A68        2.13703  -0.00069  -0.00206  -0.01641  -0.01298   2.12405
   A69        1.90086  -0.00076  -0.00122   0.00325   0.00166   1.90252
   A70        2.19034   0.00015  -0.00115   0.00216  -0.00004   2.19030
   A71        2.19197   0.00060   0.00204  -0.00553  -0.00223   2.18974
   A72        1.92055   0.00010  -0.00058   0.00199   0.00037   1.92092
   A73        2.17170   0.00006   0.00022   0.01182   0.00882   2.18052
   A74        2.19057  -0.00017   0.00001  -0.01369  -0.00931   2.18127
   A75        1.85765   0.00032   0.00156  -0.00266   0.00019   1.85783
   A76        2.19196   0.00054   0.01561  -0.03350  -0.00621   2.18575
   A77        2.21643  -0.00087  -0.01369  -0.00142  -0.01065   2.20578
   A78        1.93937   0.00011   0.00046   0.00097   0.00135   1.94072
   A79        1.94111  -0.00003   0.00003   0.00089   0.00149   1.94260
   A80        1.92318   0.00011  -0.00015  -0.00256  -0.00162   1.92156
   A81        1.89361  -0.00008  -0.00072  -0.00074  -0.00156   1.89205
   A82        1.88494  -0.00009   0.00007   0.00182   0.00042   1.88535
   A83        1.87965  -0.00003   0.00030  -0.00037  -0.00014   1.87951
   A84        1.94421  -0.00042   0.00252  -0.01090  -0.00576   1.93846
   A85        1.90508   0.00011   0.00146  -0.00879  -0.00506   1.90002
   A86        1.91352   0.00012  -0.00177   0.01296   0.00803   1.92154
   A87        1.92333   0.00000  -0.00192  -0.00156  -0.00287   1.92046
   A88        1.91830   0.00024  -0.00112   0.01007   0.00608   1.92438
   A89        1.85735  -0.00003   0.00075  -0.00133  -0.00023   1.85712
   A90        2.27656   0.00032   0.00552  -0.01378  -0.00387   2.27269
   A91        2.17811  -0.00031  -0.00561   0.01357   0.00276   2.18087
   A92        1.82851   0.00000   0.00008   0.00044   0.00073   1.82924
   A93        1.91483   0.00018  -0.00066  -0.00081  -0.00193   1.91290
   A94        2.25293   0.00011   0.00227   0.00305   0.00455   2.25748
   A95        2.11526  -0.00029  -0.00164  -0.00147  -0.00252   2.11274
   A96        1.89951  -0.00016   0.00046  -0.00082  -0.00031   1.89920
   A97        2.19326  -0.00007  -0.00130   0.00337   0.00120   2.19446
   A98        2.19041   0.00023   0.00072  -0.00255  -0.00093   2.18948
   A99        1.90851   0.00034   0.00048  -0.00315  -0.00140   1.90711
   A100       2.18986   0.00011  -0.00020   0.00357   0.00236   2.19223
   A101       2.18469  -0.00044  -0.00071  -0.00032  -0.00087   2.18382
   A102       1.87339  -0.00035  -0.00037   0.00456   0.00282   1.87620
   A103       2.13337  -0.00015   0.00015  -0.00719  -0.00175   2.13162
   A104       2.27412   0.00051  -0.00193   0.00479  -0.00088   2.27324
   A105       1.62196   0.00062  -0.00514   0.05736   0.03858   1.66054
   A106       1.45560  -0.00022  -0.00143   0.01552   0.00217   1.45777
   A107       1.42762   0.00103   0.00384   0.02287   0.02678   1.45439
   A108       3.04836  -0.00035  -0.01718   0.02484  -0.00454   3.04381
   A109       1.83350  -0.00108  -0.00714  -0.03221  -0.03585   1.79766
   A110       1.75659  -0.00025   0.01721  -0.03962  -0.00928   1.74731
   A111       1.67845  -0.00064  -0.00939  -0.01335  -0.02097   1.65749
   A112       1.50250  -0.00066  -0.01535   0.01585  -0.00003   1.50247
   A113       2.82067   0.00050   0.00461  -0.00391   0.00380   2.82446
   A114       2.75916   0.00130  -0.00547   0.07449   0.04710   2.80627
   A115       1.59897  -0.00013  -0.00171  -0.01877  -0.01282   1.58616
   A116       1.49176  -0.00001   0.00142  -0.06115  -0.04028   1.45148
   A117       1.80686  -0.00069   0.00630  -0.04170  -0.02614   1.78072
   A118       1.44668   0.00041  -0.01315   0.10266   0.05802   1.50470
   A119       1.33266   0.00112   0.03063  -0.05069  -0.00693   1.32574
   A120       1.85254   0.00167  -0.00241   0.11705   0.08569   1.93824
   A121       2.78834  -0.00162   0.00863  -0.11313  -0.07935   2.70899
   A122       1.63140  -0.00008  -0.01131   0.02063   0.00327   1.63468
   A123       2.33315   0.00074   0.00512  -0.01053  -0.00393   2.32922
   A124       2.79027  -0.00053  -0.00562  -0.02351  -0.01494   2.77534
   A125       2.14478  -0.00144  -0.00551   0.02110   0.00959   2.15436
   A126       2.10341   0.00038   0.00180  -0.01414  -0.00820   2.09522
   A127       2.03493   0.00105   0.00355  -0.00690  -0.00143   2.03350
   A128       2.45125  -0.00051  -0.03459   0.07369   0.02059   2.47184
   A129       2.15707  -0.00011  -0.00492   0.03233   0.01728   2.17434
   A130       2.06259   0.00028   0.00351  -0.01925  -0.01001   2.05259
   A131       2.06352  -0.00017   0.00140  -0.01314  -0.00798   2.05554
   A132       1.97045   0.00066   0.00383   0.00593   0.00727   1.97772
   A133       1.90898  -0.00060  -0.00320   0.00763   0.00305   1.91203
   A134       1.89866   0.00011   0.00126  -0.01173  -0.00752   1.89114
   A135       1.83765   0.00073   0.00146   0.00799   0.00624   1.84389
   A136       1.95123  -0.00096  -0.00269  -0.00938  -0.00809   1.94314
   A137       1.89461   0.00006  -0.00094   0.00056  -0.00057   1.89404
   A138       2.09544   0.00071   0.00549  -0.00516   0.00188   2.09732
   A139       2.01935  -0.00044  -0.00301   0.00060  -0.00268   2.01667
   A140       2.16640  -0.00029  -0.00278   0.00237  -0.00143   2.16498
   A141       1.88852  -0.00259   0.00098  -0.07641  -0.05159   1.83693
   A142       2.06375   0.00029   0.00109   0.00669   0.00561   2.06936
   A143       2.15150   0.00027   0.00084  -0.00345  -0.00175   2.14975
   A144       2.04285  -0.00062  -0.00304   0.00914   0.00317   2.04602
   A145       1.92830  -0.00024   0.00054  -0.00251  -0.00122   1.92707
   A146       1.89149   0.00010  -0.00081   0.00447   0.00232   1.89381
   A147       1.91652  -0.00024  -0.00359   0.01438   0.00648   1.92301
   A148       1.90862   0.00014   0.00175  -0.00292  -0.00029   1.90833
   A149       1.91129   0.00028   0.00238  -0.01062  -0.00505   1.90624
   A150       1.90738  -0.00005  -0.00034  -0.00270  -0.00222   1.90516
   A151       1.90769  -0.00053  -0.00372   0.00240  -0.00204   1.90565
   A152       1.90353   0.00027   0.00237  -0.00383  -0.00029   1.90324
   A153       1.97572   0.00020   0.00083   0.00239   0.00252   1.97823
   A154       1.87629   0.00006  -0.00115   0.00388   0.00156   1.87785
   A155       1.89671   0.00002  -0.00041  -0.00099  -0.00109   1.89562
   A156       1.90135  -0.00002   0.00193  -0.00373  -0.00066   1.90069
    D1        3.13554   0.00015   0.00247  -0.00001   0.00166   3.13720
    D2        0.99522  -0.00002  -0.00080  -0.01595  -0.01435   0.98087
    D3       -1.01311   0.00004   0.00031  -0.01403  -0.01183  -1.02494
    D4        1.05239   0.00004   0.00287  -0.00780  -0.00061   1.05178
    D5       -1.08793  -0.00012  -0.00039  -0.02374  -0.01662  -1.10455
    D6       -3.09626  -0.00007   0.00071  -0.02183  -0.01410  -3.11036
    D7       -1.05093   0.00007   0.00246  -0.00252   0.00274  -1.04819
    D8        3.09194  -0.00009  -0.00081  -0.01846  -0.01327   3.07866
    D9        1.08361  -0.00003   0.00030  -0.01654  -0.01075   1.07286
   D10       -0.81996  -0.00020   0.01915  -0.12014  -0.06838  -0.88834
   D11        2.41190  -0.00029   0.01385  -0.16597  -0.10581   2.30609
   D12        1.31870  -0.00013   0.02136  -0.10479  -0.05272   1.26599
   D13       -1.73262  -0.00022   0.01606  -0.15062  -0.09015  -1.82277
   D14       -2.95448  -0.00013   0.02089  -0.10479  -0.05321  -3.00769
   D15        0.27738  -0.00022   0.01559  -0.15062  -0.09064   0.18674
   D16       -3.05953  -0.00026  -0.00541  -0.05152  -0.04343  -3.10296
   D17        0.06119  -0.00009   0.00247  -0.09991  -0.06937  -0.00818
   D18        0.00239  -0.00017  -0.00084  -0.01048  -0.01037  -0.00798
   D19        3.12311   0.00000   0.00704  -0.05887  -0.03631   3.08680
   D20        3.07358   0.00020   0.00437   0.04928   0.04152   3.11510
   D21       -0.08637   0.00027   0.00476   0.05944   0.04647  -0.03990
   D22       -0.00129   0.00010   0.00023   0.01631   0.01388   0.01259
   D23        3.12195   0.00018   0.00062   0.02647   0.01883   3.14078
   D24       -0.00260   0.00018   0.00114   0.00066   0.00292   0.00033
   D25        2.56725   0.00118  -0.09453   0.49876   0.24893   2.81617
   D26       -3.12483   0.00001  -0.00613   0.04586   0.02731  -3.09752
   D27       -0.55499   0.00101  -0.10180   0.54396   0.27332  -0.28167
   D28       -0.00029   0.00001   0.00049  -0.01701  -0.01300  -0.01328
   D29        3.13785   0.00029   0.00220   0.00436   0.00142   3.13927
   D30       -3.12334  -0.00007   0.00011  -0.02746  -0.01809  -3.14143
   D31        0.01480   0.00021   0.00182  -0.00609  -0.00367   0.01113
   D32        0.00173  -0.00011  -0.00098   0.00998   0.00617   0.00790
   D33       -2.68349   0.00064   0.05551  -0.30152  -0.16499  -2.84848
   D34       -3.13631  -0.00040  -0.00274  -0.01195  -0.00874   3.13814
   D35        0.46166   0.00035   0.05375  -0.32345  -0.17990   0.28176
   D36        1.34931  -0.00010  -0.05010   0.44315   0.25797   1.60728
   D37        3.10138  -0.00043  -0.03222   0.39751   0.24471  -2.93710
   D38       -0.32298   0.00060  -0.04142   0.46382   0.28238  -0.04060
   D39        2.73268   0.00017  -0.16924   1.19095   0.66232  -2.88819
   D40       -1.72468  -0.00034  -0.03007   0.34270   0.20867  -1.51601
   D41       -2.40279   0.00005  -0.13366   0.90547   0.49978  -1.90301
   D42       -0.65073  -0.00028  -0.11577   0.85984   0.48653  -0.16420
   D43        2.20810   0.00074  -0.12498   0.92614   0.52420   2.73230
   D44       -1.01942   0.00031  -0.25279   1.65327   0.90413  -0.11529
   D45        0.80640  -0.00020  -0.11362   0.80502   0.45049   1.25689
   D46        1.24084   0.00010  -0.08867   0.15766   0.02262   1.26346
   D47       -2.92456   0.00014  -0.08386   0.15622   0.02604  -2.89852
   D48       -0.88197   0.00016  -0.08265   0.15726   0.02882  -0.85316
   D49       -0.85494  -0.00034  -0.09142   0.16834   0.02557  -0.82938
   D50        1.26283  -0.00029  -0.08660   0.16690   0.02899   1.29182
   D51       -2.97776  -0.00028  -0.08539   0.16794   0.03177  -2.94600
   D52       -2.94516  -0.00022  -0.09109   0.14693   0.01158  -2.93358
   D53       -0.82738  -0.00017  -0.08627   0.14549   0.01500  -0.81238
   D54        1.21521  -0.00016  -0.08507   0.14653   0.01778   1.23299
   D55       -0.93497   0.00015  -0.01994   0.08686   0.04100  -0.89397
   D56        1.17710   0.00003  -0.01842   0.08126   0.03857   1.21567
   D57       -3.04535   0.00013  -0.01663   0.08485   0.04289  -3.00246
   D58       -3.06931   0.00012  -0.02295   0.07797   0.03191  -3.03741
   D59       -0.95724   0.00000  -0.02143   0.07237   0.02948  -0.92777
   D60        1.10349   0.00010  -0.01964   0.07595   0.03381   1.13729
   D61        1.18414   0.00012  -0.02342   0.08279   0.03429   1.21843
   D62       -2.98698   0.00000  -0.02190   0.07719   0.03186  -2.95512
   D63       -0.92624   0.00010  -0.02012   0.08077   0.03619  -0.89006
   D64       -0.44933   0.00013   0.00409  -0.08434  -0.05512  -0.50445
   D65        2.62483   0.00052   0.00755  -0.07976  -0.04789   2.57694
   D66       -2.59367  -0.00011  -0.00103  -0.07731  -0.05535  -2.64902
   D67        0.48049   0.00028   0.00243  -0.07273  -0.04812   0.43237
   D68        1.67661  -0.00019  -0.00107  -0.09206  -0.06579   1.61082
   D69       -1.53241   0.00020   0.00239  -0.08748  -0.05856  -1.59097
   D70        2.76626   0.00010  -0.01988   0.08393   0.04069   2.80695
   D71       -0.30459  -0.00028  -0.02335   0.07849   0.03295  -0.27164
   D72       -2.81577  -0.00034  -0.01058  -0.03752  -0.04025  -2.85601
   D73        0.25772   0.00005  -0.00698  -0.03326  -0.03298   0.22474
   D74        0.17069   0.00032   0.06488  -0.19005  -0.06597   0.10472
   D75        0.20223   0.00026   0.08473  -0.05436   0.04947   0.25171
   D76       -1.05837   0.00025   0.00422   0.02681   0.02374  -1.03463
   D77        1.06537  -0.00006   0.00217   0.01665   0.01493   1.08030
   D78        3.08866   0.00001   0.00195   0.01153   0.01040   3.09906
   D79        3.14090   0.00017   0.00537   0.02031   0.01964  -3.12265
   D80       -1.01855  -0.00013   0.00332   0.01015   0.01084  -1.00771
   D81        1.00475  -0.00006   0.00310   0.00502   0.00630   1.01105
   D82        1.04852   0.00025   0.00347   0.02683   0.02144   1.06996
   D83       -3.11092  -0.00005   0.00142   0.01667   0.01264  -3.09829
   D84       -1.08763   0.00002   0.00119   0.01154   0.00810  -1.07953
   D85        0.21799  -0.00032   0.10601  -0.66488  -0.35922  -0.14122
   D86       -2.96052  -0.00039   0.08500  -0.68452  -0.39430   2.92837
   D87       -1.89855  -0.00036   0.10700  -0.65927  -0.35455  -2.25311
   D88        1.20613  -0.00042   0.08599  -0.67892  -0.38964   0.81649
   D89        2.35543  -0.00028   0.10750  -0.64956  -0.34675   2.00867
   D90       -0.82308  -0.00034   0.08648  -0.66921  -0.38184  -1.20492
   D91        3.11767  -0.00094  -0.02454  -0.04141  -0.05375   3.06392
   D92        0.00682  -0.00033  -0.00153  -0.07445  -0.05332  -0.04650
   D93        0.00811  -0.00086  -0.00631  -0.02395  -0.02271  -0.01460
   D94       -3.10273  -0.00025   0.01670  -0.05698  -0.02229  -3.12502
   D95       -3.11831   0.00086   0.02144   0.03188   0.04299  -3.07532
   D96        0.01876   0.00021   0.00945   0.00301   0.01123   0.02999
   D97       -0.00486   0.00081   0.00523   0.01770   0.01732   0.01246
   D98        3.13221   0.00016  -0.00676  -0.01117  -0.01445   3.11776
   D99       -0.00846   0.00060   0.00510   0.02159   0.01999   0.01153
   D100      -2.96299   0.00073  -0.06381   0.22359   0.09563  -2.86736
   D101       3.10424   0.00006  -0.01624   0.05322   0.02007   3.12432
   D102       0.14971   0.00019  -0.08516   0.25521   0.09572   0.24544
   D103      -0.00026  -0.00047  -0.00227  -0.00491  -0.00559  -0.00585
   D104       3.11389  -0.00055  -0.01063  -0.00047  -0.01007   3.10382
   D105      -3.13732   0.00018   0.00986   0.02397   0.02615  -3.11117
   D106      -0.02318   0.00010   0.00150   0.02841   0.02167  -0.00150
   D107       0.00523  -0.00007  -0.00167  -0.00995  -0.00855  -0.00332
   D108       2.95633  -0.00001   0.06667  -0.22016  -0.08468   2.87165
   D109      -3.10855   0.00000   0.00679  -0.01494  -0.00442  -3.11297
   D110      -0.15745   0.00007   0.07513  -0.22515  -0.08055  -0.23800
   D111      -0.89098  -0.00036  -0.00928   0.37212   0.24722  -0.64376
   D112      -2.35409  -0.00024  -0.00695   0.34703   0.23867  -2.11542
   D113       0.54119   0.00072  -0.00613   0.40050   0.27639   0.81759
   D114       2.34242   0.00000  -0.00006   0.36062   0.25112   2.59354
   D115       2.04230   0.00003  -0.08247   0.68637   0.39830   2.44060
   D116       2.47583  -0.00037  -0.09115   0.61656   0.33654   2.81237
   D117       1.01273  -0.00025  -0.08883   0.59148   0.32799   1.34071
   D118      -2.37518   0.00071  -0.08801   0.64495   0.36571  -2.00947
   D119      -0.57395  -0.00002  -0.08193   0.60506   0.34043  -0.23352
   D120      -0.87407   0.00002  -0.16434   0.93081   0.48761  -0.38646
   D121      -1.04472  -0.00008  -0.00053   0.01296   0.00794  -1.03678
   D122       3.11067   0.00012  -0.00078   0.02799   0.01861   3.12929
   D123       1.08249   0.00003  -0.00150   0.02730   0.01728   1.09976
   D124       1.06679  -0.00013  -0.00111   0.01328   0.00790   1.07469
   D125      -1.06100   0.00007  -0.00136   0.02832   0.01858  -1.04243
   D126      -3.08919  -0.00002  -0.00208   0.02762   0.01724  -3.07195
   D127      -3.13330  -0.00011  -0.00081   0.01173   0.00761  -3.12569
   D128       1.02209   0.00009  -0.00106   0.02676   0.01829   1.04038
   D129      -1.00610   0.00000  -0.00178   0.02607   0.01695  -0.98915
   D130      -0.13980   0.00033   0.01275   0.02663   0.03211  -0.10769
   D131       2.99497   0.00048   0.01771   0.07882   0.07383   3.06880
   D132       1.97739   0.00019   0.01497   0.00715   0.02000   1.99740
   D133      -1.17102   0.00035   0.01992   0.05935   0.06173  -1.10930
   D134      -2.26423   0.00029   0.01409   0.01063   0.02164  -2.24258
   D135       0.87054   0.00044   0.01904   0.06282   0.06337   0.93391
   D136       3.12905   0.00056   0.00397   0.06605   0.05087  -3.10326
   D137      -0.03194   0.00026   0.00277   0.11262   0.08167   0.04973
   D138      -0.00675   0.00043  -0.00028   0.02167   0.01549   0.00874
   D139       3.11545   0.00013  -0.00148   0.06825   0.04628  -3.12145
   D140      -3.13241  -0.00050  -0.00346  -0.04648  -0.03689   3.11389
   D141       0.00878  -0.00011   0.00460  -0.04528  -0.02743  -0.01865
   D142       0.00382  -0.00037   0.00039  -0.00546  -0.00395  -0.00014
   D143      -3.13818   0.00001   0.00845  -0.00426   0.00551  -3.13268
   D144       0.00732  -0.00033   0.00007  -0.03044  -0.02174  -0.01441
   D145      -3.06835  -0.00040   0.01955  -0.06165  -0.02446  -3.09281
   D146      -3.11667  -0.00006   0.00110  -0.07276  -0.04963   3.11689
   D147       0.09084  -0.00014   0.02058  -0.10398  -0.05235   0.03849
   D148       0.00060   0.00019  -0.00036  -0.01340  -0.00949  -0.00889
   D149       3.12583   0.00059   0.01941  -0.00763   0.01456   3.14039
   D150      -3.14059  -0.00020  -0.00845  -0.01459  -0.01892   3.12368
   D151      -0.01536   0.00020   0.01133  -0.00882   0.00513  -0.01023
   D152      -0.00477   0.00008   0.00018   0.02651   0.01890   0.01413
   D153       3.06370   0.00013  -0.02118   0.06052   0.02189   3.08560
   D154      -3.13006  -0.00032  -0.01950   0.02072  -0.00504  -3.13510
   D155      -0.06159  -0.00028  -0.04086   0.05473  -0.00204  -0.06363
   D156      -1.16630  -0.00020   0.02135  -0.10501  -0.05475  -1.22105
   D157       0.43513   0.00042   0.01375  -0.03909  -0.01395   0.42119
   D158      -1.99940  -0.00003   0.00105  -0.06133  -0.04344  -2.04284
   D159       1.94172  -0.00028  -0.00232  -0.02710  -0.01640   1.92532
   D160      -3.01196   0.00086   0.02862  -0.07931  -0.02390  -3.03585
   D161       2.05783  -0.00025   0.04554  -0.14391  -0.05829   1.99954
   D162      -2.62393   0.00037   0.03794  -0.07799  -0.01749  -2.64141
   D163       1.22473  -0.00008   0.02524  -0.10023  -0.04698   1.17775
   D164      -1.11734  -0.00033   0.02187  -0.06600  -0.01994  -1.13728
   D165       0.21217   0.00081   0.05281  -0.11821  -0.02743   0.18474
   D166       1.31320   0.00104  -0.01857   0.12719   0.07532   1.38852
   D167      -2.08492   0.00128  -0.06930   0.45307   0.25093  -1.83399
   D168      -0.29399   0.00021  -0.01495   0.06472   0.03122  -0.26277
   D169       2.59107   0.00045  -0.06568   0.39059   0.20683   2.79790
   D170       2.15032   0.00068   0.00101   0.08149   0.06042   2.21073
   D171      -1.24780   0.00092  -0.04972   0.40737   0.23603  -1.01177
   D172      -1.82017   0.00111   0.00282   0.05555   0.03817  -1.78200
   D173       1.06489   0.00135  -0.04791   0.38143   0.21379   1.27868
   D174      -3.11289  -0.00032  -0.02424   0.07104   0.02592  -3.08697
   D175      -0.22783  -0.00008  -0.07496   0.39691   0.20154  -0.02629
   D176       1.95976  -0.00011   0.07506  -0.62548  -0.36142   1.59834
   D177      -2.93457   0.00024  -0.04286   0.12353   0.04501  -2.88956
   D178       1.59347   0.00050  -0.06028   0.16179   0.05348   1.64695
   D179      -1.26931  -0.00054  -0.05691   0.11543   0.02477  -1.24454
   D180       0.11091   0.00042  -0.06325   0.22269   0.09214   0.20305
   D181       1.81975   0.00074   0.05149  -0.12967  -0.03701   1.78274
   D182      -1.10630   0.00027   0.12667  -0.45770  -0.19404  -1.30035
   D183      -3.03380   0.00064   0.05120  -0.12699  -0.04060  -3.07440
   D184       0.43244  -0.00065   0.04978  -0.18985  -0.08535   0.34709
   D185      -1.41468   0.00041   0.04662  -0.12667  -0.04299  -1.45767
   D186       3.09764  -0.00025  -0.05048   0.22506   0.11156  -3.07398
   D187       0.04410   0.00006  -0.03761   0.14259   0.05747   0.10157
   D188       3.05615  -0.00047  -0.00527  -0.33945  -0.23708   2.81907
   D189      -0.33210  -0.00012  -0.05395  -0.01843  -0.06608  -0.39818
   D190       0.69046   0.00014   0.04445  -0.21949  -0.10633   0.58412
   D191      -2.46369  -0.00036   0.03712  -0.21408  -0.10986  -2.57355
   D192       0.05263  -0.00055   0.00953   0.03342   0.03463   0.08725
   D193      -3.09030  -0.00076   0.00688  -0.02030  -0.00572  -3.09602
   D194      -3.07687  -0.00007   0.01662   0.02827   0.03809  -3.03878
   D195       0.06338  -0.00028   0.01397  -0.02545  -0.00226   0.06113
   D196      -1.09472   0.00020   0.00775  -0.01367  -0.00192  -1.09664
   D197       0.95205   0.00012   0.00559  -0.00983  -0.00138   0.95068
   D198       3.07174   0.00042   0.01036  -0.01572  -0.00075   3.07099
   D199       2.03508  -0.00028   0.00065  -0.00839  -0.00512   2.02996
   D200      -2.20133  -0.00037  -0.00151  -0.00454  -0.00458  -2.20591
   D201      -0.08165  -0.00006   0.00326  -0.01044  -0.00396  -0.08560
   D202      -1.28117  -0.00109  -0.04827   0.12952   0.04372  -1.23745
   D203       0.75862  -0.00017  -0.04623   0.14804   0.05804   0.81666
   D204       2.82540  -0.00039  -0.04847   0.14627   0.05472   2.88011
   D205       1.86176  -0.00088  -0.04563   0.18327   0.08413   1.94589
   D206      -2.38163   0.00003  -0.04359   0.20179   0.09845  -2.28318
   D207      -0.31486  -0.00018  -0.04583   0.20002   0.09513  -0.21973
   D208       0.52035   0.00008   0.01527  -0.16689  -0.10032   0.42002
   D209      -2.68624  -0.00028   0.01081  -0.20249  -0.12997  -2.81620
   D210      -1.56121  -0.00002   0.01610  -0.18453  -0.11217  -1.67339
   D211       1.51539  -0.00038   0.01164  -0.22013  -0.14182   1.37357
   D212       2.66801  -0.00002   0.01775  -0.18509  -0.11098   2.55704
   D213      -0.53857  -0.00037   0.01329  -0.22069  -0.14063  -0.67919
   D214       1.18003  -0.00038  -0.02665   0.12545   0.06254   1.24257
   D215      -1.89081   0.00001  -0.02183   0.16431   0.09486  -1.79595
   D216      -0.06579   0.00008   0.01389  -0.00098   0.01339  -0.05240
   D217      -2.96126   0.00045   0.01947  -0.06207  -0.02387  -2.98513
   D218       3.00785  -0.00026   0.00967  -0.03852  -0.01741   2.99043
   D219       0.11238   0.00012   0.01524  -0.09962  -0.05467   0.05771
   D220      -2.21452  -0.00021   0.01250  -0.09609  -0.05478  -2.26930
   D221      -0.12371  -0.00012   0.01446  -0.09839  -0.05442  -0.17813
   D222       1.95865  -0.00026   0.01152  -0.09060  -0.05191   1.90674
   D223       1.17046   0.00004   0.01744  -0.15622  -0.09191   1.07856
   D224      -3.02191   0.00013   0.01940  -0.15852  -0.09155  -3.11346
   D225      -0.93955  -0.00001   0.01646  -0.15072  -0.08904  -1.02859
         Item               Value     Threshold  Converged?
 Maximum Force            0.003469     0.000450     NO 
 RMS     Force            0.000503     0.000300     NO 
 Maximum Displacement     2.192764     0.001800     NO 
 RMS     Displacement     0.263294     0.001200     NO 
 Predicted change in Energy=-2.578646D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.053816    3.738127    2.308177
      2          6           0       -2.920549    3.194655    3.208383
      3          6           0       -1.747147    2.594702    2.466713
      4          6           0       -1.619413    1.643111    1.456729
      5          7           0       -0.429510    2.937578    2.791457
      6          6           0        0.423315    2.221485    1.985819
      7          7           0       -0.261676    1.412887    1.158945
      8          6           0       -5.302917    0.795136   -0.028819
      9          6           0       -5.954218   -0.453178   -0.670030
     10          6           0       -5.266115   -1.780233   -0.267451
     11          6           0       -3.761540   -1.722655   -0.485621
     12          8           0       -3.257906   -0.977752   -1.399882
     13          8           0       -3.000504   -2.415361    0.349638
     14          6           0       -2.422105    2.414817   -4.364951
     15          6           0       -1.052370    1.942907   -4.892177
     16          6           0       -0.173820    1.310468   -3.842777
     17          6           0       -0.270202    1.183008   -2.465514
     18          7           0        0.994011    0.598842   -4.179083
     19          6           0        1.538118    0.068833   -3.037818
     20          7           0        0.793472    0.401963   -1.976546
     21          6           0        4.646810    4.056496   -0.398506
     22          6           0        5.157003    3.124218    0.720279
     23          6           0        4.279959    1.913070    0.855329
     24          6           0        3.083358    1.600875    0.230458
     25          7           0        4.522836    0.835709    1.725174
     26          6           0        3.493714   -0.073254    1.605178
     27          7           0        2.607539    0.379075    0.712817
     28         30           0        0.875424   -0.501982   -0.025145
     29          1           0       -4.863325    4.149280    2.923254
     30          1           0       -4.478125    2.943044    1.683220
     31          1           0       -3.688571    4.530128    1.645365
     32          1           0       -3.335168    2.449112    3.903629
     33          1           0       -2.551785    4.019665    3.835739
     34          1           0       -2.408062    1.096534    0.969501
     35          1           0       -0.153784    3.610848    3.494553
     36          1           0        1.492963    2.309237    2.039961
     37          1           0       -4.336398    0.985243   -0.505296
     38          1           0       -5.134942    0.659946    1.050703
     39          1           0       -5.937404    1.680958   -0.164806
     40          1           0       -7.013894   -0.518980   -0.390393
     41          1           0       -5.913668   -0.346651   -1.761481
     42          1           0       -5.446069   -2.021317    0.786827
     43          1           0       -5.681457   -2.606395   -0.862808
     44          1           0       -2.987759    1.576086   -3.939299
     45          1           0       -3.014194    2.844679   -5.178863
     46          1           0       -2.309751    3.182189   -3.587835
     47          1           0       -1.224010    1.210358   -5.696404
     48          1           0       -0.522528    2.791368   -5.352787
     49          1           0       -1.030852    1.570237   -1.815162
     50          1           0        1.354593    0.470478   -5.115870
     51          1           0        2.418409   -0.551612   -3.004467
     52          1           0        4.624014    3.539894   -1.365341
     53          1           0        3.638286    4.426259   -0.179763
     54          1           0        5.306880    4.926213   -0.494219
     55          1           0        5.176379    3.683484    1.668424
     56          1           0        6.194780    2.822138    0.516550
     57          1           0        2.543180    2.149025   -0.523609
     58          1           0        5.317917    0.744053    2.345295
     59          1           0        3.408613   -1.000076    2.148568
     60          8           0       -0.958942   -1.241248   -0.101561
     61          1           0       -1.482526   -0.822794   -0.836632
     62          1           0       -1.875193   -1.994285    0.228755
     63          6           0        2.461143   -3.254489   -0.766444
     64          8           0        2.037427   -2.076415   -0.966772
     65          7           0        1.774048   -4.186448   -0.055506
     66          6           0        0.424041   -3.995238    0.478953
     67          6           0        0.369520   -3.004593    1.657838
     68          8           0        1.275474   -2.118340    1.792070
     69          7           0       -0.734612   -3.079541    2.430525
     70          1           0       -0.221392   -3.566236   -0.298330
     71          1           0        0.023703   -4.973782    0.762275
     72          1           0        2.213563   -5.087893    0.084272
     73          1           0       -1.466509   -3.733556    2.169560
     74          6           0       -1.051460   -2.099575    3.474299
     75          1           0       -1.289772   -2.607756    4.416428
     76          1           0       -0.182148   -1.455909    3.620625
     77          1           0       -1.906399   -1.485483    3.169343
     78          6           0        3.794446   -3.694241   -1.351997
     79          1           0        3.738207   -3.654298   -2.445262
     80          1           0        4.573378   -2.992099   -1.034593
     81          1           0        4.086400   -4.706118   -1.053986
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0942760      0.0719642      0.0672193
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4899.0149342614 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33686 LenP2D=  121941.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.59D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.997038    0.074833   -0.008962    0.015323 Ang=   8.82 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.95323701     A.U. after   14 cycles
            NFock= 14  Conv=0.50D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33686 LenP2D=  121941.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.001123308    0.000476340    0.000967436
      3        6           0.001182749    0.001139508   -0.001322527
      4        6           0.000742306    0.001557600    0.000385460
      5        7          -0.000230280   -0.002242663   -0.000042151
      6        6          -0.000040857    0.001074846   -0.000881217
      7        7          -0.002788575    0.000356535    0.005453795
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000486669    0.000084825    0.000135817
     10        6          -0.000249560   -0.000884744    0.000351659
     11        6           0.009491207   -0.013246815   -0.003683564
     12        8           0.001993616    0.006201950   -0.000391776
     13        8          -0.009516946    0.009525585    0.001951306
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.001057676   -0.001642858   -0.000925611
     16        6          -0.001126283    0.001885392   -0.001440137
     17        6          -0.000302470   -0.000951820   -0.002005636
     18        7           0.001223877   -0.000797040   -0.000640972
     19        6          -0.001680938    0.000902231    0.000408615
     20        7           0.002878089   -0.002141526    0.001891364
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000242657    0.000081705    0.000712277
     23        6           0.001590838    0.000353856    0.000100167
     24        6          -0.002234814   -0.000565375   -0.000301352
     25        7          -0.000035205    0.000691620   -0.000075247
     26        6           0.000657715   -0.001541680    0.002020898
     27        7          -0.001607415    0.001149303   -0.005637880
     28       30           0.007890157   -0.000448401    0.006474425
     29        1          -0.000230832    0.000037009    0.000161043
     30        1          -0.000159691   -0.000527954    0.000863054
     31        1          -0.000216778   -0.000714986    0.000108472
     32        1           0.000525532   -0.000677762   -0.000577981
     33        1          -0.000515354    0.000464334    0.000180666
     34        1          -0.000363060   -0.001096619   -0.002164264
     35        1           0.000470405   -0.000124678    0.000108743
     36        1          -0.000524347   -0.000217059    0.000045289
     37        1           0.000247454   -0.000643404    0.000691212
     38        1           0.001562619    0.001128677   -0.000461184
     39        1           0.000001005    0.000192906   -0.000085639
     40        1           0.000543669    0.000405093    0.000722206
     41        1           0.000072708    0.000141207    0.000275986
     42        1           0.000180055    0.000210913   -0.000028154
     43        1          -0.000658292    0.000256359   -0.000119989
     44        1          -0.000341782   -0.000485803    0.000466773
     45        1           0.000266322   -0.000921301   -0.000253154
     46        1           0.000158730   -0.000070371   -0.000396365
     47        1          -0.000665375   -0.000280672    0.000201951
     48        1           0.000511638    0.000091984    0.000076363
     49        1           0.001482965    0.001421031    0.002187085
     50        1           0.000301897   -0.000368836    0.000041976
     51        1           0.000585321   -0.000179705   -0.000241071
     52        1          -0.000081840   -0.000213677    0.000062585
     53        1           0.000253742    0.000217225    0.000042853
     54        1           0.000309501   -0.000017054   -0.000333541
     55        1          -0.000668485    0.000467578   -0.000221520
     56        1           0.000364015   -0.000672663   -0.000427994
     57        1          -0.000694678    0.000340626    0.000663979
     58        1           0.000000177   -0.000304592   -0.000215740
     59        1           0.000522906   -0.000013272    0.000431610
     60        8           0.000555047    0.001493258   -0.008254330
     61        1          -0.003105847    0.000095248   -0.000366753
     62        1          -0.003022895   -0.005400504    0.005968533
     63        6          -0.003882477   -0.002147521   -0.000917525
     64        8           0.000241117    0.000563422   -0.003503339
     65        7           0.000352788    0.002324100   -0.001012885
     66        6           0.000840745    0.000161913    0.000552687
     67        6          -0.000209589   -0.003501018   -0.001574862
     68        8           0.001223571    0.002975529    0.001643980
     69        7          -0.002883756    0.003060357   -0.001222613
     70        1          -0.000168905   -0.000474167    0.000142348
     71        1           0.000416746    0.000065265    0.000202866
     72        1           0.000004002    0.000390509    0.000312063
     73        1           0.001258557   -0.000365544    0.000092461
     74        6           0.001340900    0.000653302    0.002842423
     75        1          -0.000192906   -0.000322995   -0.000526939
     76        1           0.000153036    0.000011013    0.000052428
     77        1          -0.000156746   -0.000441048   -0.000540914
     78        6          -0.000162036    0.000324550    0.001809347
     79        1           0.000239830   -0.000128617   -0.000260494
     80        1           0.000217629    0.000058552   -0.000409746
     81        1           0.000100532    0.000100625   -0.000139079
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.013246815 RMS     0.002078823

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.012297511 RMS     0.001013743
 Search for a local minimum.
 Step number  11 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   10   11
 DE= -2.47D-03 DEPred=-2.58D-03 R= 9.57D-01
 TightC=F SS=  1.41D+00  RLast= 2.37D+00 DXNew= 5.0454D+00 7.1094D+00
 Trust test= 9.57D-01 RLast= 2.37D+00 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00060   0.00227   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00349   0.00398   0.00456   0.00528   0.00590
     Eigenvalues ---    0.00654   0.00707   0.00745   0.00760   0.00812
     Eigenvalues ---    0.00826   0.00890   0.00984   0.01063   0.01275
     Eigenvalues ---    0.01285   0.01317   0.01357   0.01375   0.01420
     Eigenvalues ---    0.01426   0.01474   0.01633   0.01635   0.01736
     Eigenvalues ---    0.01796   0.01833   0.01852   0.01855   0.01920
     Eigenvalues ---    0.01930   0.01990   0.02101   0.02136   0.02181
     Eigenvalues ---    0.02245   0.02254   0.02291   0.02302   0.02350
     Eigenvalues ---    0.02485   0.02851   0.03094   0.03391   0.03665
     Eigenvalues ---    0.03899   0.03956   0.04056   0.04197   0.04375
     Eigenvalues ---    0.04661   0.04868   0.05009   0.05267   0.05317
     Eigenvalues ---    0.05357   0.05376   0.05396   0.05403   0.05440
     Eigenvalues ---    0.05471   0.05507   0.05523   0.05539   0.05588
     Eigenvalues ---    0.05647   0.06346   0.06613   0.06867   0.06901
     Eigenvalues ---    0.07377   0.07471   0.07588   0.07706   0.08008
     Eigenvalues ---    0.08381   0.09116   0.09238   0.09258   0.09596
     Eigenvalues ---    0.09750   0.09858   0.10039   0.10622   0.11204
     Eigenvalues ---    0.11641   0.12278   0.12712   0.12915   0.13070
     Eigenvalues ---    0.13109   0.13148   0.14582   0.15777   0.15876
     Eigenvalues ---    0.15983   0.15984   0.15991   0.15992   0.15993
     Eigenvalues ---    0.15996   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16009   0.16013   0.16034   0.16053
     Eigenvalues ---    0.16099   0.16265   0.16709   0.17136   0.18387
     Eigenvalues ---    0.18593   0.19091   0.19777   0.20490   0.21443
     Eigenvalues ---    0.21544   0.21894   0.22059   0.22141   0.22465
     Eigenvalues ---    0.22617   0.22833   0.23149   0.23457   0.23608
     Eigenvalues ---    0.23951   0.24210   0.24354   0.24626   0.24923
     Eigenvalues ---    0.25016   0.25153   0.26319   0.27122   0.27455
     Eigenvalues ---    0.27772   0.28147   0.28176   0.28343   0.30219
     Eigenvalues ---    0.30496   0.30837   0.31383   0.31634   0.31760
     Eigenvalues ---    0.33600   0.33613   0.33631   0.33652   0.33664
     Eigenvalues ---    0.33715   0.33794   0.33822   0.33858   0.33895
     Eigenvalues ---    0.33928   0.33930   0.33952   0.33983   0.33988
     Eigenvalues ---    0.33999   0.34031   0.34047   0.34075   0.34077
     Eigenvalues ---    0.34096   0.34132   0.34174   0.34177   0.34187
     Eigenvalues ---    0.34239   0.34251   0.34262   0.34303   0.34614
     Eigenvalues ---    0.35689   0.35740   0.35847   0.36018   0.36239
     Eigenvalues ---    0.36333   0.36408   0.36728   0.38890   0.39247
     Eigenvalues ---    0.39352   0.42339   0.42395   0.42542   0.45136
     Eigenvalues ---    0.45294   0.45369   0.45466   0.45535   0.45583
     Eigenvalues ---    0.45597   0.45641   0.47243   0.49004   0.49104
     Eigenvalues ---    0.49360   0.49648   0.50174   0.52508   0.54730
     Eigenvalues ---    0.54868   0.54967   0.56019   0.72961   0.74843
     Eigenvalues ---    0.762851000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 RFO step:  Lambda=-2.38007302D-03 EMin= 5.97925691D-04
 Quartic linear search produced a step of -0.08954.
 Iteration  1 RMS(Cart)=  0.03779981 RMS(Int)=  0.00069561
 Iteration  2 RMS(Cart)=  0.00095601 RMS(Int)=  0.00022017
 New curvilinear step failed, DQL= 1.80D-05 SP=-7.44D-02.
 ITry= 1 IFail=1 DXMaxC= 2.35D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03556855 RMS(Int)=  0.00061083
 Iteration  2 RMS(Cart)=  0.00082620 RMS(Int)=  0.00022274
 New curvilinear step failed, DQL= 1.67D-05 SP=-6.00D-02.
 ITry= 2 IFail=1 DXMaxC= 2.23D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03345004 RMS(Int)=  0.00053852
 Iteration  2 RMS(Cart)=  0.00071331 RMS(Int)=  0.00022465
 New curvilinear step failed, DQL= 1.52D-05 SP=-4.76D-02.
 ITry= 3 IFail=1 DXMaxC= 2.12D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03145055 RMS(Int)=  0.00047793
 Iteration  2 RMS(Cart)=  0.00061515 RMS(Int)=  0.00022574
 New curvilinear step failed, DQL= 1.28D-05 SP=-4.00D-02.
 ITry= 4 IFail=1 DXMaxC= 2.00D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02962632 RMS(Int)=  0.00042867
 Iteration  2 RMS(Cart)=  0.00053399 RMS(Int)=  0.00022592
 New curvilinear step failed, DQL= 9.88D-06 SP=-3.55D-02.
 ITry= 5 IFail=1 DXMaxC= 1.89D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02800921 RMS(Int)=  0.00038971
 Iteration  2 RMS(Cart)=  0.00046997 RMS(Int)=  0.00022509
 New curvilinear step failed, DQL= 6.03D-06 SP=-4.09D-02.
 ITry= 6 IFail=1 DXMaxC= 1.78D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02663224 RMS(Int)=  0.00035974
 Iteration  2 RMS(Cart)=  0.00042322 RMS(Int)=  0.00022322
 New curvilinear step failed, DQL= 1.43D-06 SP=-1.24D-01.
 ITry= 7 IFail=1 DXMaxC= 1.73D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02552520 RMS(Int)=  0.00033755
 Iteration  2 RMS(Cart)=  0.00039249 RMS(Int)=  0.00022027
 New curvilinear step failed, DQL= 1.15D-06 SP=-1.32D-01.
 ITry= 8 IFail=1 DXMaxC= 1.78D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02471579 RMS(Int)=  0.00032246
 Iteration  2 RMS(Cart)=  0.00037743 RMS(Int)=  0.00021625
 New curvilinear step failed, DQL= 1.12D-06 SP=-1.40D-01.
 ITry= 9 IFail=1 DXMaxC= 1.83D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02422993 RMS(Int)=  0.00031458
 Iteration  2 RMS(Cart)=  0.00037857 RMS(Int)=  0.00021116
 New curvilinear step failed, DQL= 1.23D-06 SP=-1.46D-01.
 ITry=10 IFail=1 DXMaxC= 1.87D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00755990 RMS(Int)=  0.01185914 XScale=  5.00335607
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00755935 RMS(Int)=  0.00890162 XScale=  2.50285042
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00755753 RMS(Int)=  0.00594900 XScale=  1.66908621
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00755412 RMS(Int)=  0.00300481 XScale=  1.25187510
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00754942 RMS(Int)=  0.00031972 XScale=  1.00085785
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00034434 RMS(Int)=  0.00021303 XScale=  0.99974529
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00000434 RMS(Int)=  0.00021296 XScale=  0.99981708
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00001881 RMS(Int)=  0.00002006 XScale=  5.05748703
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00001877 RMS(Int)=  0.00001526 XScale=  2.52903240
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00001873 RMS(Int)=  0.00001058 XScale=  1.68622971
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00001866 RMS(Int)=  0.00000626 XScale=  1.26484345
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00001854 RMS(Int)=  0.00000387 XScale=  1.01202741
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000039 RMS(Int)=  0.00000387 XScale=  1.01208398
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48451  -0.00051   0.00000   0.00000   0.00000   8.48451
    Y1       -0.92762  -0.00097   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47499   0.00136   0.00000   0.00000   0.00002   7.47501
    X8       10.19806   0.00202   0.00000   0.00000  -0.00001  10.19805
    Y8        1.20623   0.00132   0.00000   0.00000   0.00000   1.20623
    Z8        0.50968   0.00049   0.00000   0.00000  -0.00002   0.50967
   X14        7.21038  -0.00027   0.00000   0.00000   0.00001   7.21039
   Y14       -7.64140  -0.00234   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84247  -0.00086   0.00000   0.00000  -0.00001  -3.84248
   X21       -6.13878   0.00009   0.00000   0.00000   0.00000  -6.13879
   Y21       -9.38867   0.00035   0.00000   0.00000   0.00001  -9.38867
   Z21        4.09467  -0.00080   0.00000   0.00000   0.00000   4.09467
    R1        2.92146   0.00006   0.00012   0.00058   0.00083   2.92229
    R2        2.07240  -0.00004  -0.00006   0.00000  -0.00005   2.07234
    R3        2.07248  -0.00099  -0.00008  -0.00160  -0.00169   2.07078
    R4        2.07008   0.00072   0.00019   0.00093   0.00111   2.07119
    R5        2.85773  -0.00069   0.00003  -0.00061  -0.00057   2.85716
    R6        2.07965  -0.00066   0.00001  -0.00125  -0.00125   2.07840
    R7        2.07888   0.00015  -0.00003   0.00049   0.00045   2.07933
    R8        2.63338  -0.00051  -0.00023  -0.00068  -0.00140   2.63198
    R9        2.64507   0.00115   0.00048   0.00197   0.00285   2.64792
   R10        2.66252  -0.00072  -0.00039  -0.00001  -0.00076   2.66176
   R11        2.03363   0.00088   0.00013   0.00149   0.00161   2.03525
   R12        2.59736   0.00000   0.00048  -0.00076   0.00018   2.59754
   R13        1.91195   0.00002   0.00000   0.00004   0.00003   1.91199
   R14        2.54009  -0.00122  -0.00053  -0.00040  -0.00102   2.53907
   R15        2.03071   0.00057   0.00043   0.00040   0.00083   2.03155
   R16        4.76638   0.00009   0.00712  -0.01023  -0.00327   4.76311
   R17        2.92366   0.00007   0.00010   0.00048   0.00087   2.92454
   R18        2.06779   0.00009  -0.00012   0.00065   0.00053   2.06832
   R19        2.08029  -0.00014  -0.00006  -0.00012  -0.00017   2.08012
   R20        2.07504  -0.00013  -0.00003  -0.00009  -0.00012   2.07493
   R21        2.92550   0.00022  -0.00020   0.00169   0.00170   2.92720
   R22        2.07478   0.00077   0.00021   0.00067   0.00088   2.07566
   R23        2.07376  -0.00028  -0.00006  -0.00015  -0.00020   2.07356
   R24        2.87503  -0.00083  -0.00023  -0.00115  -0.00141   2.87362
   R25        2.07182   0.00014   0.00014  -0.00033  -0.00019   2.07163
   R26        2.07827   0.00001   0.00002   0.00008   0.00011   2.07838
   R27        2.42327  -0.00577  -0.00088  -0.00562  -0.00663   2.41665
   R28        2.50464   0.01230   0.00204   0.00822   0.01045   2.51508
   R29        3.53194   0.00171   0.00511   0.00409   0.00894   3.54088
   R30        2.28199   0.00076  -0.00234   0.00816   0.00596   2.28795
   R31        2.91339   0.00082   0.00024   0.00140   0.00157   2.91496
   R32        2.07407  -0.00063  -0.00013  -0.00096  -0.00109   2.07298
   R33        2.06820   0.00082   0.00021   0.00103   0.00125   2.06944
   R34        2.07474  -0.00039  -0.00011  -0.00064  -0.00074   2.07399
   R35        2.84908  -0.00014  -0.00020  -0.00103  -0.00143   2.84765
   R36        2.08116  -0.00031  -0.00014  -0.00033  -0.00047   2.08069
   R37        2.08109  -0.00018  -0.00012  -0.00016  -0.00028   2.08080
   R38        2.62011   0.00065  -0.00027   0.00091   0.00046   2.62057
   R39        2.66132  -0.00117  -0.00050  -0.00058  -0.00106   2.66027
   R40        2.65943   0.00008   0.00002  -0.00157  -0.00176   2.65768
   R41        2.02782   0.00292   0.00041   0.00438   0.00479   2.03261
   R42        2.59068   0.00077   0.00012   0.00144   0.00161   2.59229
   R43        1.91233   0.00012   0.00000   0.00013   0.00013   1.91246
   R44        2.52953   0.00071   0.00010  -0.00003   0.00008   2.52961
   R45        2.03616  -0.00050   0.00001  -0.00080  -0.00080   2.03536
   R46        4.06700   0.00167  -0.00105   0.01202   0.01081   4.07780
   R47        2.91601   0.00041   0.00031   0.00074   0.00115   2.91717
   R48        2.07196  -0.00003   0.00002  -0.00010  -0.00008   2.07188
   R49        2.07155   0.00028   0.00001   0.00060   0.00061   2.07216
   R50        2.07118  -0.00025  -0.00007  -0.00032  -0.00039   2.07079
   R51        2.83731   0.00074   0.00032   0.00098   0.00137   2.83868
   R52        2.08053  -0.00012  -0.00011   0.00007  -0.00003   2.08050
   R53        2.07847  -0.00008   0.00003  -0.00016  -0.00013   2.07835
   R54        2.61833  -0.00109  -0.00023  -0.00112  -0.00139   2.61694
   R55        2.65661  -0.00038   0.00015  -0.00047  -0.00027   2.65634
   R56        2.64012   0.00095   0.00016   0.00117   0.00135   2.64147
   R57        2.03607  -0.00088  -0.00015  -0.00100  -0.00115   2.03492
   R58        2.60460  -0.00035  -0.00028   0.00014  -0.00008   2.60452
   R59        1.91330  -0.00015  -0.00002  -0.00016  -0.00019   1.91311
   R60        2.52561  -0.00041   0.00020  -0.00104  -0.00085   2.52476
   R61        2.03663  -0.00019   0.00005  -0.00026  -0.00021   2.03641
   R62        3.92821   0.00029  -0.00090  -0.00241  -0.00331   3.92490
   R63        3.74015  -0.00342  -0.00119  -0.01276  -0.01410   3.72605
   R64        4.10369   0.00405   0.00658   0.02321   0.02976   4.13345
   R65        4.65767   0.00150  -0.00406   0.02746   0.02337   4.68105
   R66        1.87985  -0.00113  -0.00074  -0.00099  -0.00184   1.87801
   R67        2.32651  -0.00593  -0.00071  -0.00585  -0.00649   2.32001
   R68        2.39595   0.00179   0.00014   0.00143   0.00156   2.39751
   R69        2.56758   0.00274   0.00069   0.00112   0.00182   2.56940
   R70        2.87459  -0.00090  -0.00045  -0.00139  -0.00184   2.87275
   R71        2.76748   0.00086   0.00021  -0.00018   0.00004   2.76752
   R72        1.91349   0.00010   0.00003   0.00012   0.00015   1.91364
   R73        2.91172  -0.00011   0.00007  -0.00219  -0.00208   2.90965
   R74        2.07422   0.00008  -0.00017   0.00033   0.00016   2.07438
   R75        2.06845   0.00002  -0.00004   0.00038   0.00034   2.06879
   R76        2.40836  -0.00043  -0.00021   0.00032   0.00013   2.40849
   R77        2.55062   0.00160   0.00030   0.00160   0.00190   2.55252
   R78        1.91927   0.00048   0.00003   0.00058   0.00060   1.91987
   R79        2.77100   0.00205   0.00053   0.00258   0.00310   2.77411
   R80        2.07237  -0.00048  -0.00010  -0.00068  -0.00078   2.07159
   R81        2.06268  -0.00008   0.00001  -0.00023  -0.00022   2.06246
   R82        2.07098  -0.00006  -0.00003  -0.00004  -0.00007   2.07090
   R83        2.07008   0.00033   0.00005   0.00055   0.00060   2.07069
   R84        2.07051  -0.00042  -0.00007  -0.00055  -0.00062   2.06989
   R85        2.06832   0.00008   0.00001   0.00002   0.00003   2.06835
    A1        1.92444  -0.00039  -0.00029  -0.00135  -0.00165   1.92279
    A2        1.93968   0.00050  -0.00006   0.00272   0.00266   1.94233
    A3        1.94129  -0.00035   0.00010  -0.00179  -0.00170   1.93959
    A4        1.88160   0.00007   0.00002   0.00087   0.00089   1.88249
    A5        1.89064   0.00022   0.00003  -0.00001   0.00001   1.89065
    A6        1.88426  -0.00004   0.00022  -0.00038  -0.00017   1.88410
    A7        2.00720  -0.00028   0.00067   0.00048   0.00106   2.00825
    A8        1.90693  -0.00006  -0.00087   0.00001  -0.00099   1.90594
    A9        1.89036   0.00023   0.00054  -0.00020   0.00053   1.89089
   A10        1.91071   0.00020  -0.00093   0.00217   0.00128   1.91199
   A11        1.89348  -0.00008   0.00026  -0.00207  -0.00178   1.89170
   A12        1.84842   0.00001   0.00034  -0.00053  -0.00021   1.84822
   A13        2.34269   0.00137   0.00002   0.00428   0.00363   2.34632
   A14        2.11702  -0.00128  -0.00012  -0.00354  -0.00287   2.11415
   A15        1.82259  -0.00008  -0.00005  -0.00005  -0.00027   1.82232
   A16        1.93167  -0.00078  -0.00014  -0.00205  -0.00220   1.92947
   A17        2.22407   0.00245   0.00058   0.00875   0.00937   2.23344
   A18        2.12648  -0.00165  -0.00037  -0.00695  -0.00732   2.11916
   A19        1.89703   0.00020  -0.00001   0.00190   0.00179   1.89882
   A20        2.19048  -0.00050  -0.00041  -0.00148  -0.00191   2.18857
   A21        2.19559   0.00031   0.00041  -0.00020   0.00020   2.19578
   A22        1.93670  -0.00112  -0.00048  -0.00326  -0.00428   1.93242
   A23        2.14783   0.00057   0.00070   0.00106   0.00203   2.14985
   A24        2.19860   0.00055  -0.00022   0.00224   0.00229   2.20089
   A25        1.83669   0.00179   0.00070   0.00379   0.00490   1.84159
   A26        2.28858  -0.00372   0.00177  -0.02002  -0.01881   2.26977
   A27        2.11268   0.00189  -0.00996   0.02340   0.01555   2.12822
   A28        1.90874   0.00186   0.00090   0.00937   0.01028   1.91903
   A29        1.95150  -0.00227  -0.00100  -0.00717  -0.00820   1.94330
   A30        1.93513  -0.00027  -0.00032  -0.00179  -0.00213   1.93300
   A31        1.88975   0.00079   0.00025   0.00557   0.00584   1.89559
   A32        1.89263  -0.00053   0.00049  -0.00268  -0.00219   1.89044
   A33        1.88460   0.00046  -0.00029  -0.00320  -0.00354   1.88106
   A34        1.97878   0.00008   0.00005   0.00149   0.00175   1.98052
   A35        1.92741  -0.00066  -0.00076  -0.00363  -0.00446   1.92296
   A36        1.89476   0.00026   0.00031   0.00151   0.00178   1.89654
   A37        1.88745   0.00030   0.00016   0.00027   0.00037   1.88782
   A38        1.90226  -0.00010   0.00023  -0.00046  -0.00029   1.90197
   A39        1.87004   0.00012   0.00000   0.00081   0.00084   1.87088
   A40        1.94963  -0.00015   0.00066  -0.00244  -0.00188   1.94775
   A41        1.94508  -0.00045  -0.00036   0.00152   0.00112   1.94620
   A42        1.91273   0.00098   0.00076   0.00207   0.00291   1.91564
   A43        1.88446   0.00049   0.00001   0.00249   0.00255   1.88700
   A44        1.90105  -0.00071  -0.00062  -0.00347  -0.00407   1.89699
   A45        1.86857  -0.00018  -0.00052  -0.00020  -0.00074   1.86783
   A46        2.10904  -0.00011   0.00017  -0.00108  -0.00115   2.10788
   A47        2.04620   0.00020  -0.00030  -0.00049  -0.00065   2.04554
   A48        2.12632  -0.00010   0.00009   0.00111   0.00127   2.12759
   A49        1.77866   0.00010  -0.00202   0.00171  -0.00047   1.77819
   A50        1.86476  -0.00252   0.00046  -0.00574  -0.00519   1.85958
   A51        1.93543   0.00019   0.00030   0.00026   0.00056   1.93599
   A52        1.92469  -0.00063  -0.00009  -0.00187  -0.00196   1.92274
   A53        1.94452   0.00013  -0.00037   0.00077   0.00040   1.94492
   A54        1.88572   0.00043  -0.00040   0.00349   0.00308   1.88880
   A55        1.88847  -0.00015   0.00020  -0.00097  -0.00077   1.88770
   A56        1.88308   0.00004   0.00037  -0.00162  -0.00126   1.88182
   A57        1.99116  -0.00104  -0.00153  -0.00391  -0.00583   1.98533
   A58        1.89111   0.00072   0.00048   0.00391   0.00453   1.89564
   A59        1.91204  -0.00002   0.00003  -0.00083  -0.00071   1.91133
   A60        1.89661  -0.00013   0.00114  -0.00308  -0.00182   1.89479
   A61        1.91129   0.00075  -0.00011   0.00440   0.00443   1.91571
   A62        1.85670  -0.00023   0.00010  -0.00030  -0.00025   1.85645
   A63        2.33154   0.00013  -0.00177   0.00193  -0.00018   2.33136
   A64        2.12818  -0.00116   0.00149  -0.00388  -0.00210   2.12608
   A65        1.82183   0.00104   0.00039   0.00195   0.00241   1.82424
   A66        1.92156  -0.00079  -0.00018  -0.00239  -0.00257   1.91899
   A67        2.23715   0.00108  -0.00098   0.00684   0.00586   2.24301
   A68        2.12405  -0.00029   0.00116  -0.00439  -0.00323   2.12082
   A69        1.90252  -0.00037  -0.00015  -0.00089  -0.00110   1.90142
   A70        2.19030  -0.00023   0.00000  -0.00142  -0.00136   2.18894
   A71        2.18974   0.00059   0.00020   0.00220   0.00246   2.19220
   A72        1.92092  -0.00011  -0.00003  -0.00133  -0.00145   1.91947
   A73        2.18052  -0.00031  -0.00079   0.00127   0.00052   2.18104
   A74        2.18127   0.00042   0.00083   0.00005   0.00093   2.18220
   A75        1.85783   0.00022  -0.00002   0.00267   0.00275   1.86058
   A76        2.18575   0.00059   0.00056   0.00098   0.00142   2.18717
   A77        2.20578  -0.00090   0.00095  -0.00538  -0.00414   2.20164
   A78        1.94072   0.00010  -0.00012   0.00052   0.00039   1.94112
   A79        1.94260  -0.00030  -0.00013  -0.00053  -0.00066   1.94194
   A80        1.92156   0.00054   0.00015   0.00174   0.00189   1.92345
   A81        1.89205   0.00004   0.00014  -0.00079  -0.00065   1.89140
   A82        1.88535  -0.00035  -0.00004  -0.00128  -0.00132   1.88404
   A83        1.87951  -0.00005   0.00001   0.00027   0.00028   1.87979
   A84        1.93846   0.00006   0.00052  -0.00036   0.00022   1.93868
   A85        1.90002   0.00007   0.00045   0.00091   0.00141   1.90143
   A86        1.92154  -0.00014  -0.00072  -0.00062  -0.00142   1.92012
   A87        1.92046  -0.00030   0.00026  -0.00268  -0.00244   1.91802
   A88        1.92438   0.00031  -0.00054   0.00257   0.00201   1.92639
   A89        1.85712   0.00001   0.00002   0.00017   0.00019   1.85731
   A90        2.27269   0.00023   0.00035   0.00037   0.00071   2.27340
   A91        2.18087   0.00005  -0.00025   0.00035   0.00020   2.18107
   A92        1.82924  -0.00029  -0.00007  -0.00093  -0.00105   1.82819
   A93        1.91290   0.00100   0.00017   0.00201   0.00222   1.91513
   A94        2.25748  -0.00092  -0.00041  -0.00127  -0.00168   2.25581
   A95        2.11274  -0.00007   0.00023  -0.00077  -0.00055   2.11220
   A96        1.89920  -0.00016   0.00003  -0.00020  -0.00023   1.89897
   A97        2.19446  -0.00013  -0.00011  -0.00071  -0.00084   2.19362
   A98        2.18948   0.00029   0.00008   0.00078   0.00084   2.19032
   A99        1.90711   0.00101   0.00013   0.00173   0.00179   1.90891
   A100       2.19223  -0.00027  -0.00021   0.00038   0.00022   2.19244
   A101       2.18382  -0.00074   0.00008  -0.00214  -0.00202   2.18180
   A102       1.87620  -0.00155  -0.00025  -0.00242  -0.00273   1.87348
   A103       2.13162   0.00115   0.00016  -0.00072  -0.00083   2.13080
   A104       2.27324   0.00044   0.00008   0.00398   0.00429   2.27753
   A105       1.66054  -0.00018  -0.00345   0.00683   0.00322   1.66377
   A106       1.45777  -0.00079  -0.00019   0.00347   0.00422   1.46199
   A107       1.45439   0.00198  -0.00240   0.00933   0.00596   1.46036
   A108       3.04381  -0.00106   0.00041  -0.00463  -0.00311   3.04070
   A109       1.79766  -0.00090   0.00321  -0.01532  -0.01191   1.78575
   A110       1.74731  -0.00085   0.00083  -0.00598  -0.00529   1.74202
   A111       1.65749  -0.00045   0.00188  -0.01017  -0.00806   1.64943
   A112       1.50247   0.00044   0.00000   0.00173   0.00164   1.50411
   A113       2.82446   0.00108  -0.00034   0.00852   0.00844   2.83290
   A114       2.80627   0.00166  -0.00422   0.02090   0.01663   2.82289
   A115       1.58616  -0.00026   0.00115  -0.00769  -0.00697   1.57918
   A116       1.45148   0.00072   0.00361   0.00237   0.00595   1.45743
   A117       1.78072  -0.00096   0.00234  -0.00687  -0.00407   1.77665
   A118       1.50470  -0.00012  -0.00520   0.00648   0.00135   1.50604
   A119       1.32574   0.00066   0.00062   0.00678   0.00746   1.33319
   A120       1.93824   0.00165  -0.00767   0.02269   0.01446   1.95269
   A121       2.70899  -0.00361   0.00711  -0.02475  -0.01687   2.69212
   A122       1.63468   0.00196  -0.00029   0.00292   0.00277   1.63745
   A123       2.32922  -0.00024   0.00035  -0.00417  -0.00362   2.32560
   A124       2.77534   0.00076   0.00134   0.00082   0.00157   2.77691
   A125       2.15436  -0.00124  -0.00086  -0.00277  -0.00356   2.15081
   A126       2.09522   0.00070   0.00073   0.00084   0.00153   2.09675
   A127       2.03350   0.00054   0.00013   0.00196   0.00205   2.03556
   A128       2.47184  -0.00086  -0.00184  -0.00234  -0.00413   2.46771
   A129       2.17434  -0.00008  -0.00155  -0.00113  -0.00258   2.17177
   A130       2.05259   0.00036   0.00090   0.00196   0.00283   2.05541
   A131       2.05554  -0.00028   0.00071  -0.00108  -0.00039   2.05515
   A132       1.97772   0.00027  -0.00065   0.00557   0.00501   1.98273
   A133       1.91203   0.00003  -0.00027  -0.00160  -0.00189   1.91014
   A134       1.89114   0.00001   0.00067   0.00023   0.00087   1.89201
   A135       1.84389   0.00025  -0.00056   0.00056   0.00000   1.84389
   A136       1.94314  -0.00067   0.00072  -0.00498  -0.00430   1.93883
   A137       1.89404   0.00012   0.00005   0.00005   0.00010   1.89414
   A138       2.09732   0.00090  -0.00017   0.00672   0.00663   2.10395
   A139       2.01667  -0.00105   0.00024  -0.00461  -0.00447   2.01220
   A140       2.16498   0.00020   0.00013  -0.00066  -0.00064   2.16434
   A141       1.83693  -0.00140   0.00462  -0.00934  -0.00473   1.83220
   A142       2.06936   0.00004  -0.00050   0.00035  -0.00023   2.06913
   A143       2.14975   0.00090   0.00016   0.00120   0.00129   2.15104
   A144       2.04602  -0.00106  -0.00028  -0.00534  -0.00569   2.04033
   A145       1.92707  -0.00043   0.00011  -0.00147  -0.00136   1.92571
   A146       1.89381   0.00035  -0.00021   0.00176   0.00155   1.89536
   A147       1.92301  -0.00081  -0.00058  -0.00324  -0.00382   1.91918
   A148       1.90833   0.00015   0.00003   0.00146   0.00149   1.90982
   A149       1.90624   0.00069   0.00045   0.00235   0.00280   1.90904
   A150       1.90516   0.00006   0.00020  -0.00083  -0.00063   1.90453
   A151       1.90565  -0.00031   0.00018  -0.00286  -0.00268   1.90297
   A152       1.90324   0.00032   0.00003   0.00233   0.00236   1.90560
   A153       1.97823  -0.00011  -0.00023  -0.00013  -0.00035   1.97788
   A154       1.87785  -0.00002  -0.00014   0.00001  -0.00013   1.87772
   A155       1.89562   0.00004   0.00010  -0.00070  -0.00060   1.89502
   A156       1.90069   0.00008   0.00006   0.00134   0.00140   1.90209
    D1        3.13720   0.00015  -0.00015  -0.00032  -0.00055   3.13666
    D2        0.98087   0.00014   0.00129  -0.00355  -0.00222   0.97864
    D3       -1.02494   0.00003   0.00106  -0.00283  -0.00174  -1.02668
    D4        1.05178  -0.00001   0.00005  -0.00227  -0.00229   1.04949
    D5       -1.10455  -0.00003   0.00149  -0.00550  -0.00397  -1.10853
    D6       -3.11036  -0.00013   0.00126  -0.00477  -0.00349  -3.11385
    D7       -1.04819  -0.00006  -0.00025  -0.00241  -0.00273  -1.05091
    D8        3.07866  -0.00008   0.00119  -0.00564  -0.00441   3.07426
    D9        1.07286  -0.00018   0.00096  -0.00491  -0.00392   1.06893
   D10       -0.88834  -0.00043   0.00612  -0.03683  -0.03042  -0.91876
   D11        2.30609  -0.00080   0.00947  -0.05752  -0.04781   2.25828
   D12        1.26599  -0.00055   0.00472  -0.03474  -0.02995   1.23604
   D13       -1.82277  -0.00092   0.00807  -0.05544  -0.04734  -1.87011
   D14       -3.00769  -0.00047   0.00476  -0.03534  -0.03048  -3.03817
   D15        0.18674  -0.00084   0.00812  -0.05604  -0.04787   0.13887
   D16       -3.10296   0.00009   0.00389   0.00604   0.01003  -3.09293
   D17       -0.00818   0.00047   0.00621  -0.00013   0.00628  -0.00189
   D18       -0.00798   0.00039   0.00093   0.02419   0.02532   0.01734
   D19        3.08680   0.00076   0.00325   0.01803   0.02157   3.10837
   D20        3.11510  -0.00022  -0.00372  -0.01008  -0.01410   3.10100
   D21       -0.03990   0.00012  -0.00416   0.00754   0.00334  -0.03656
   D22        0.01259  -0.00055  -0.00124  -0.02555  -0.02706  -0.01447
   D23        3.14078  -0.00021  -0.00169  -0.00793  -0.00962   3.13116
   D24        0.00033  -0.00007  -0.00026  -0.01362  -0.01404  -0.01371
   D25        2.81617   0.00045  -0.02229   0.01718  -0.00416   2.81201
   D26       -3.09752  -0.00055  -0.00245  -0.00834  -0.01109  -3.10861
   D27       -0.28167  -0.00003  -0.02447   0.02246  -0.00121  -0.28288
   D28       -0.01328   0.00055   0.00116   0.01861   0.01991   0.00663
   D29        3.13927   0.00041  -0.00013   0.01554   0.01580  -3.12811
   D30       -3.14143   0.00022   0.00162   0.00093   0.00240  -3.13902
   D31        0.01113   0.00009   0.00033  -0.00214  -0.00171   0.00942
   D32        0.00790  -0.00029  -0.00055  -0.00318  -0.00372   0.00418
   D33       -2.84848   0.00054   0.01477  -0.02066  -0.00491  -2.85339
   D34        3.13814  -0.00015   0.00078  -0.00001   0.00053   3.13867
   D35        0.28176   0.00068   0.01611  -0.01748  -0.00066   0.28110
   D36        1.60728  -0.00041  -0.02310  -0.00966  -0.03253   1.57475
   D37       -2.93710  -0.00130  -0.02191  -0.01612  -0.03787  -2.97497
   D38       -0.04060  -0.00014  -0.02528   0.00061  -0.02454  -0.06514
   D39       -2.88819  -0.00015  -0.05930   0.06911   0.00999  -2.87819
   D40       -1.51601  -0.00062  -0.01868  -0.01051  -0.02895  -1.54496
   D41       -1.90301  -0.00006  -0.04475   0.02052  -0.02431  -1.92732
   D42       -0.16420  -0.00096  -0.04356   0.01406  -0.02965  -0.19385
   D43        2.73230   0.00021  -0.04694   0.03079  -0.01632   2.71598
   D44       -0.11529   0.00020  -0.08095   0.09929   0.01822  -0.09707
   D45        1.25689  -0.00027  -0.04034   0.01967  -0.02073   1.23616
   D46        1.26346   0.00003  -0.00203  -0.03303  -0.03509   1.22837
   D47       -2.89852  -0.00001  -0.00233  -0.03431  -0.03667  -2.93519
   D48       -0.85316  -0.00009  -0.00258  -0.03450  -0.03714  -0.89030
   D49       -0.82938  -0.00075  -0.00229  -0.04166  -0.04398  -0.87336
   D50        1.29182  -0.00079  -0.00260  -0.04294  -0.04556   1.24627
   D51       -2.94600  -0.00087  -0.00284  -0.04313  -0.04603  -2.99203
   D52       -2.93358   0.00039  -0.00104  -0.03149  -0.03256  -2.96614
   D53       -0.81238   0.00035  -0.00134  -0.03276  -0.03413  -0.84651
   D54        1.23299   0.00027  -0.00159  -0.03295  -0.03460   1.19838
   D55       -0.89397  -0.00064  -0.00367  -0.03444  -0.03812  -0.93210
   D56        1.21567  -0.00044  -0.00345  -0.03189  -0.03538   1.18028
   D57       -3.00246  -0.00031  -0.00384  -0.02989  -0.03375  -3.03621
   D58       -3.03741  -0.00007  -0.00286  -0.03100  -0.03386  -3.07127
   D59       -0.92777   0.00014  -0.00264  -0.02844  -0.03112  -0.95889
   D60        1.13729   0.00026  -0.00303  -0.02644  -0.02949   1.10781
   D61        1.21843  -0.00032  -0.00307  -0.03186  -0.03491   1.18353
   D62       -2.95512  -0.00012  -0.00285  -0.02930  -0.03217  -2.98728
   D63       -0.89006   0.00001  -0.00324  -0.02730  -0.03053  -0.92059
   D64       -0.50445  -0.00054   0.00494  -0.02431  -0.01946  -0.52391
   D65        2.57694  -0.00077   0.00429  -0.03272  -0.02858   2.54836
   D66       -2.64902  -0.00021   0.00496  -0.02635  -0.02139  -2.67041
   D67        0.43237  -0.00044   0.00431  -0.03475  -0.03051   0.40186
   D68        1.61082   0.00011   0.00589  -0.02562  -0.01974   1.59108
   D69       -1.59097  -0.00012   0.00524  -0.03402  -0.02886  -1.61983
   D70        2.80695  -0.00035  -0.00364  -0.01578  -0.01974   2.78720
   D71       -0.27164  -0.00012  -0.00295  -0.00693  -0.01011  -0.28176
   D72       -2.85601   0.00067   0.00360   0.00359   0.00765  -2.84836
   D73        0.22474   0.00044   0.00295  -0.00498  -0.00167   0.22307
   D74        0.10472   0.00050   0.00591   0.02219   0.02773   0.13245
   D75        0.25171  -0.00001  -0.00443   0.03260   0.02788   0.27959
   D76       -1.03463   0.00030  -0.00213   0.00908   0.00695  -1.02769
   D77        1.08030  -0.00003  -0.00134   0.00540   0.00404   1.08434
   D78        3.09906   0.00008  -0.00093   0.00676   0.00587   3.10493
   D79       -3.12265   0.00004  -0.00176   0.00578   0.00401  -3.11864
   D80       -1.00771  -0.00029  -0.00097   0.00210   0.00110  -1.00661
   D81        1.01105  -0.00017  -0.00056   0.00346   0.00293   1.01398
   D82        1.06996   0.00033  -0.00192   0.00855   0.00662   1.07658
   D83       -3.09829   0.00000  -0.00113   0.00487   0.00371  -3.09457
   D84       -1.07953   0.00011  -0.00073   0.00623   0.00554  -1.07398
   D85       -0.14122  -0.00025   0.03216  -0.05436  -0.02215  -0.16338
   D86        2.92837  -0.00006   0.03531  -0.05441  -0.01903   2.90934
   D87       -2.25311  -0.00039   0.03175  -0.05455  -0.02277  -2.27588
   D88        0.81649  -0.00020   0.03489  -0.05459  -0.01965   0.79683
   D89        2.00867  -0.00045   0.03105  -0.05488  -0.02388   1.98480
   D90       -1.20492  -0.00026   0.03419  -0.05493  -0.02075  -1.22567
   D91        3.06392   0.00010   0.00481   0.00125   0.00615   3.07008
   D92       -0.04650   0.00021   0.00477  -0.00082   0.00398  -0.04252
   D93       -0.01460  -0.00001   0.00203   0.00147   0.00354  -0.01107
   D94       -3.12502   0.00010   0.00200  -0.00059   0.00136  -3.12367
   D95       -3.07532  -0.00002  -0.00385   0.00063  -0.00321  -3.07853
   D96        0.02999  -0.00005  -0.00101  -0.00239  -0.00336   0.02663
   D97        0.01246   0.00012  -0.00155   0.00067  -0.00092   0.01153
   D98        3.11776   0.00009   0.00129  -0.00235  -0.00107   3.11669
   D99        0.01153  -0.00011  -0.00179  -0.00310  -0.00491   0.00662
   D100      -2.86736   0.00041  -0.00856   0.00432  -0.00436  -2.87171
   D101       3.12432  -0.00018  -0.00180  -0.00096  -0.00272   3.12160
   D102       0.24544   0.00033  -0.00857   0.00647  -0.00217   0.24327
   D103      -0.00585  -0.00019   0.00050  -0.00266  -0.00213  -0.00798
   D104       3.10382  -0.00017   0.00090  -0.00279  -0.00187   3.10195
   D105      -3.11117  -0.00013  -0.00234   0.00044  -0.00188  -3.11305
   D106      -0.00150  -0.00011  -0.00194   0.00032  -0.00162  -0.00312
   D107      -0.00332   0.00018   0.00077   0.00347   0.00424   0.00092
   D108       2.87165  -0.00005   0.00758  -0.00279   0.00478   2.87643
   D109      -3.11297   0.00017   0.00040   0.00358   0.00399  -3.10898
   D110      -0.23800  -0.00006   0.00721  -0.00269   0.00453  -0.23347
   D111      -0.64376  -0.00143  -0.02214   0.01059  -0.01089  -0.65466
   D112      -2.11542  -0.00053  -0.02137   0.00632  -0.01533  -2.13075
   D113       0.81759   0.00051  -0.02475   0.01969  -0.00532   0.81227
   D114       2.59354  -0.00040  -0.02248   0.01344  -0.00888   2.58466
   D115       2.44060  -0.00097  -0.03566   0.01157  -0.02408   2.41652
   D116       2.81237  -0.00104  -0.03013   0.01802  -0.01148   2.80089
   D117       1.34071  -0.00014  -0.02937   0.01376  -0.01591   1.32480
   D118      -2.00947   0.00090  -0.03275   0.02712  -0.00591  -2.01538
   D119      -0.23352  -0.00001  -0.03048   0.02087  -0.00946  -0.24298
   D120      -0.38646  -0.00058  -0.04366   0.01900  -0.02467  -0.41112
   D121      -1.03678  -0.00023  -0.00071  -0.00571  -0.00640  -1.04318
   D122       3.12929   0.00007  -0.00167  -0.00275  -0.00444   3.12485
   D123       1.09976   0.00010  -0.00155  -0.00313  -0.00468   1.09508
   D124       1.07469  -0.00031  -0.00071  -0.00673  -0.00741   1.06728
   D125      -1.04243  -0.00001  -0.00166  -0.00376  -0.00544  -1.04787
   D126      -3.07195   0.00002  -0.00154  -0.00414  -0.00569  -3.07765
   D127      -3.12569  -0.00021  -0.00068  -0.00559  -0.00625  -3.13194
   D128       1.04038   0.00008  -0.00164  -0.00262  -0.00428   1.03610
   D129      -0.98915   0.00011  -0.00152  -0.00300  -0.00453  -0.99368
   D130      -0.10769   0.00079  -0.00287   0.04743   0.04448  -0.06321
   D131       3.06880   0.00096  -0.00661   0.05666   0.04994   3.11874
   D132       1.99740   0.00071  -0.00179   0.04656   0.04477   2.04217
   D133      -1.10930   0.00089  -0.00553   0.05580   0.05024  -1.05906
   D134      -2.24258   0.00072  -0.00194   0.04669   0.04474  -2.19784
   D135       0.93391   0.00090  -0.00567   0.05593   0.05020   0.98411
   D136      -3.10326   0.00071  -0.00456   0.01255   0.00786  -3.09540
   D137       0.04973   0.00000  -0.00731   0.01539   0.00806   0.05779
   D138       0.00874   0.00057  -0.00139   0.00474   0.00324   0.01199
   D139      -3.12145  -0.00015  -0.00414   0.00757   0.00345  -3.11801
   D140       3.11389  -0.00091   0.00330  -0.02146  -0.01801   3.09588
   D141      -0.01865  -0.00021   0.00246  -0.00545  -0.00294  -0.02159
   D142      -0.00014  -0.00078   0.00035  -0.01418  -0.01372  -0.01386
   D143      -3.13268  -0.00008  -0.00049   0.00183   0.00135  -3.13133
   D144      -0.01441  -0.00013   0.00195   0.00664   0.00866  -0.00575
   D145      -3.09281  -0.00075   0.00219  -0.00601  -0.00365  -3.09646
   D146       3.11689   0.00050   0.00444   0.00407   0.00847   3.12536
   D147       0.03849  -0.00011   0.00469  -0.00858  -0.00384   0.03466
   D148      -0.00889   0.00072   0.00085   0.01898   0.01981   0.01092
   D149       3.14039   0.00078  -0.00130   0.02198   0.02062  -3.12218
   D150       3.12368   0.00002   0.00169   0.00302   0.00476   3.12844
   D151      -0.01023   0.00008  -0.00046   0.00602   0.00557  -0.00465
   D152       0.01413  -0.00037  -0.00169  -0.01566  -0.01737  -0.00324
   D153       3.08560   0.00033  -0.00196  -0.00188  -0.00395   3.08165
   D154      -3.13510  -0.00042   0.00045  -0.01863  -0.01817   3.12992
   D155      -0.06363   0.00028   0.00018  -0.00485  -0.00474  -0.06838
   D156      -1.22105   0.00030   0.00490  -0.02634  -0.02154  -1.24259
   D157       0.42119   0.00007   0.00125  -0.01817  -0.01703   0.40416
   D158      -2.04284  -0.00004   0.00389  -0.02003  -0.01605  -2.05889
   D159       1.92532   0.00046   0.00147  -0.01780  -0.01659   1.90873
   D160      -3.03585   0.00120   0.00214  -0.00987  -0.00797  -3.04382
   D161       1.99954  -0.00040   0.00522  -0.04184  -0.03665   1.96289
   D162      -2.64141  -0.00063   0.00157  -0.03367  -0.03213  -2.67354
   D163       1.17775  -0.00074   0.00421  -0.03553  -0.03115   1.14659
   D164      -1.13728  -0.00024   0.00179  -0.03330  -0.03169  -1.16897
   D165       0.18474   0.00050   0.00246  -0.02538  -0.02307   0.16167
   D166       1.38852   0.00098  -0.00674   0.03304   0.02600   1.41452
   D167      -1.83399   0.00108  -0.02247   0.06189   0.03937  -1.79461
   D168      -0.26277   0.00096  -0.00280   0.02430   0.02144  -0.24134
   D169       2.79790   0.00105  -0.01852   0.05315   0.03481   2.83272
   D170       2.21073   0.00098  -0.00541   0.02598   0.02027   2.23101
   D171      -1.01177   0.00107  -0.02113   0.05483   0.03365  -0.97812
   D172      -1.78200   0.00068  -0.00342   0.02517   0.02172  -1.76028
   D173       1.27868   0.00077  -0.01914   0.05402   0.03510   1.31377
   D174      -3.08697  -0.00010  -0.00232   0.01576   0.01322  -3.07375
   D175      -0.02629   0.00000  -0.01805   0.04461   0.02660   0.00031
   D176       1.59834  -0.00045   0.03236  -0.08863  -0.05630   1.54204
   D177      -2.88956  -0.00015  -0.00403  -0.00939  -0.01354  -2.90310
   D178       1.64695   0.00069  -0.00479  -0.00391  -0.00870   1.63824
   D179      -1.24454  -0.00046  -0.00222  -0.01908  -0.02124  -1.26578
   D180       0.20305  -0.00016  -0.00825  -0.00863  -0.01689   0.18615
   D181       1.78274   0.00114   0.00331   0.01711   0.01996   1.80270
   D182      -1.30035   0.00066   0.01737   0.01586   0.03323  -1.26712
   D183      -3.07440   0.00064   0.00364   0.02368   0.02756  -3.04684
   D184       0.34709  -0.00096   0.00764   0.00442   0.01237   0.35946
   D185      -1.45767   0.00009   0.00385   0.01419   0.01788  -1.43978
   D186      -3.07398  -0.00010  -0.00999  -0.00316  -0.01348  -3.08746
   D187       0.10157   0.00013  -0.00515  -0.01342  -0.01805   0.08353
   D188       2.81907  -0.00013   0.02123  -0.04859  -0.02800   2.79107
   D189      -0.39818   0.00000   0.00592  -0.02097  -0.01515  -0.41333
   D190       0.58412   0.00043   0.00952   0.00005   0.00954   0.59366
   D191      -2.57355   0.00032   0.00984   0.00232   0.01211  -2.56144
   D192       0.08725  -0.00064  -0.00310   0.00984   0.00671   0.09397
   D193      -3.09602  -0.00049   0.00051   0.00232   0.00279  -3.09323
   D194      -3.03878  -0.00054  -0.00341   0.00766   0.00423  -3.03456
   D195       0.06113  -0.00039   0.00020   0.00013   0.00030   0.06143
   D196      -1.09664  -0.00004   0.00017  -0.00392  -0.00375  -1.10039
   D197       0.95068  -0.00006   0.00012  -0.00420  -0.00408   0.94660
   D198       3.07099   0.00020   0.00007  -0.00089  -0.00083   3.07016
   D199       2.02996  -0.00016   0.00046  -0.00185  -0.00139   2.02856
   D200      -2.20591  -0.00018   0.00041  -0.00213  -0.00172  -2.20763
   D201      -0.08560   0.00008   0.00035   0.00117   0.00153  -0.08407
   D202      -1.23745  -0.00071  -0.00391  -0.01352  -0.01748  -1.25493
   D203       0.81666  -0.00020  -0.00520  -0.01040  -0.01560   0.80106
   D204       2.88011  -0.00004  -0.00490  -0.01112  -0.01605   2.86407
   D205       1.94589  -0.00087  -0.00753  -0.00605  -0.01363   1.93226
   D206      -2.28318  -0.00037  -0.00881  -0.00293  -0.01175  -2.29494
   D207      -0.21973  -0.00020  -0.00852  -0.00366  -0.01220  -0.23193
   D208       0.42002   0.00040   0.00898  -0.00466   0.00433   0.42436
   D209      -2.81620   0.00090   0.01164   0.01143   0.02311  -2.79310
   D210      -1.67339   0.00005   0.01004  -0.00624   0.00378  -1.66960
   D211       1.37357   0.00055   0.01270   0.00985   0.02256   1.39613
   D212       2.55704   0.00011   0.00994  -0.00403   0.00589   2.56293
   D213      -0.67919   0.00061   0.01259   0.01206   0.02467  -0.65453
   D214       1.24257   0.00009  -0.00560  -0.00228  -0.00782   1.23474
   D215      -1.79595  -0.00039  -0.00849  -0.01964  -0.02814  -1.82409
   D216      -0.05240  -0.00076  -0.00120  -0.02392  -0.02512  -0.07752
   D217      -2.98513   0.00005   0.00214  -0.00161   0.00058  -2.98456
   D218       2.99043  -0.00020   0.00156  -0.00669  -0.00518   2.98525
   D219       0.05771   0.00061   0.00490   0.01562   0.02051   0.07822
   D220      -2.26930  -0.00044   0.00490  -0.02663  -0.02171  -2.29100
   D221      -0.17813  -0.00030   0.00487  -0.02463  -0.01974  -0.19788
   D222       1.90674  -0.00049   0.00465  -0.02649  -0.02183   1.88491
   D223       1.07856   0.00023   0.00823  -0.00522   0.00300   1.08156
   D224      -3.11346   0.00038   0.00820  -0.00322   0.00496  -3.10850
   D225      -1.02859   0.00018   0.00797  -0.00508   0.00288  -1.02571
         Item               Value     Threshold  Converged?
 Maximum Force            0.012320     0.000450     NO 
 RMS     Force            0.001009     0.000300     NO 
 Maximum Displacement     0.235211     0.001800     NO 
 RMS     Displacement     0.037741     0.001200     NO 
 Predicted change in Energy=-1.377608D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.065834    3.687066    2.389597
      2          6           0       -2.972142    3.056563    3.282729
      3          6           0       -1.781155    2.496894    2.538221
      4          6           0       -1.623702    1.602168    1.482512
      5          7           0       -0.472396    2.839853    2.902829
      6          6           0        0.405738    2.152741    2.098982
      7          7           0       -0.257356    1.382692    1.219981
      8          6           0       -5.305393    0.803691   -0.025520
      9          6           0       -5.930656   -0.423924   -0.730550
     10          6           0       -5.256142   -1.764930   -0.348252
     11          6           0       -3.751329   -1.715365   -0.561485
     12          8           0       -3.243710   -0.976409   -1.473452
     13          8           0       -2.993452   -2.404760    0.288054
     14          6           0       -2.405927    2.530514   -4.307533
     15          6           0       -1.019379    2.108156   -4.835262
     16          6           0       -0.152868    1.440878   -3.798589
     17          6           0       -0.265165    1.266482   -2.427446
     18          7           0        1.020321    0.745637   -4.147924
     19          6           0        1.554930    0.178778   -3.018922
     20          7           0        0.798397    0.476542   -1.955495
     21          6           0        4.646279    4.070797   -0.271272
     22          6           0        5.183129    3.084042    0.787552
     23          6           0        4.298705    1.874745    0.896632
     24          6           0        3.103182    1.580309    0.262771
     25          7           0        4.529238    0.782527    1.750938
     26          6           0        3.484738   -0.107886    1.625359
     27          7           0        2.612064    0.356582    0.726624
     28         30           0        0.873427   -0.492170   -0.028732
     29          1           0       -4.890239    4.061084    3.008530
     30          1           0       -4.478414    2.953327    1.688022
     31          1           0       -3.665544    4.524204    1.806294
     32          1           0       -3.422103    2.267797    3.903245
     33          1           0       -2.613247    3.824206    3.984622
     34          1           0       -2.391277    1.080686    0.935859
     35          1           0       -0.219386    3.484988    3.640044
     36          1           0        1.473808    2.235203    2.189284
     37          1           0       -4.306353    0.997152   -0.428558
     38          1           0       -5.221018    0.642296    1.060062
     39          1           0       -5.920888    1.698959   -0.184502
     40          1           0       -6.999377   -0.496710   -0.487644
     41          1           0       -5.853622   -0.282480   -1.815944
     42          1           0       -5.443509   -2.024557    0.700212
     43          1           0       -5.672257   -2.578265   -0.960592
     44          1           0       -2.960563    1.664235   -3.926361
     45          1           0       -2.993161    2.986230   -5.111725
     46          1           0       -2.319766    3.265186   -3.496756
     47          1           0       -1.160671    1.410813   -5.675542
     48          1           0       -0.498714    2.987254   -5.245801
     49          1           0       -1.034256    1.626416   -1.767225
     50          1           0        1.389072    0.651509   -5.085671
     51          1           0        2.435780   -0.440653   -2.997074
     52          1           0        4.593265    3.601162   -1.260568
     53          1           0        3.645620    4.432684   -0.006467
     54          1           0        5.306739    4.942012   -0.346022
     55          1           0        5.237136    3.597618    1.759880
     56          1           0        6.211299    2.785063    0.536422
     57          1           0        2.572953    2.142814   -0.486907
     58          1           0        5.320387    0.676543    2.373639
     59          1           0        3.378547   -1.031575    2.170147
     60          8           0       -0.954496   -1.221281   -0.150659
     61          1           0       -1.473631   -0.798550   -0.885118
     62          1           0       -1.866532   -1.978491    0.168814
     63          6           0        2.470908   -3.232701   -0.846343
     64          8           0        2.043675   -2.050963   -1.021247
     65          7           0        1.780049   -4.180690   -0.158795
     66          6           0        0.423998   -4.000821    0.364235
     67          6           0        0.350829   -3.051425    1.574205
     68          8           0        1.249018   -2.166091    1.758155
     69          7           0       -0.756340   -3.174456    2.338091
     70          1           0       -0.208215   -3.544751   -0.408607
     71          1           0        0.015330   -4.985936    0.611270
     72          1           0        2.218025   -5.084968   -0.032582
     73          1           0       -1.484309   -3.816552    2.038198
     74          6           0       -1.099360   -2.237523    3.414894
     75          1           0       -1.353799   -2.785249    4.329769
     76          1           0       -0.237985   -1.594655    3.604415
     77          1           0       -1.951008   -1.617074    3.113763
     78          6           0        3.808568   -3.655161   -1.432163
     79          1           0        3.755873   -3.592601   -2.524865
     80          1           0        4.584258   -2.957832   -1.097788
     81          1           0        4.101116   -4.672758   -1.154875
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0942465      0.0718138      0.0671570
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4895.5213310478 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33683 LenP2D=  121876.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.59D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999881   -0.015184    0.002699   -0.000101 Ang=  -1.77 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.95517923     A.U. after   11 cycles
            NFock= 11  Conv=0.68D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33683 LenP2D=  121876.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000805236    0.000120766    0.000759058
      3        6           0.001351861   -0.002167742   -0.000495656
      4        6          -0.000628858    0.003055160   -0.000284977
      5        7          -0.000780200    0.000629212    0.000555134
      6        6           0.001466723    0.000026175   -0.001477630
      7        7          -0.003242395   -0.000123108    0.003373506
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000390529    0.000015100   -0.000141964
     10        6          -0.000095552   -0.000477516    0.000111672
     11        6           0.006825490   -0.008395446   -0.001245644
     12        8           0.001387829    0.003222342   -0.000668251
     13        8          -0.006462160    0.006578371    0.000721578
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000446739   -0.001026819   -0.000302875
     16        6          -0.000798908    0.001257787   -0.001534827
     17        6           0.000001293   -0.000875998   -0.000986020
     18        7           0.000906768   -0.000100212   -0.000078318
     19        6          -0.000852032    0.000172048    0.000578549
     20        7           0.001593532   -0.000545919    0.001700541
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000060562    0.000056700    0.000426543
     23        6           0.001001192    0.000077590   -0.000363118
     24        6          -0.001048593   -0.000733870   -0.000861895
     25        7           0.000835289    0.001308322    0.001697398
     26        6          -0.000694945   -0.000986132    0.000285684
     27        7          -0.001053546    0.000555963   -0.003124517
     28       30           0.006957580   -0.001480895    0.006424922
     29        1          -0.000072794   -0.000030897    0.000121029
     30        1          -0.000151743   -0.000100083    0.000335853
     31        1          -0.000127926   -0.000358959    0.000116714
     32        1           0.000317066   -0.000476694   -0.000726663
     33        1          -0.000266950    0.000597556    0.000070732
     34        1          -0.000610024   -0.000389018   -0.000853191
     35        1           0.000371835    0.000242401    0.000163527
     36        1          -0.000641564   -0.000445136   -0.000320925
     37        1           0.000163086   -0.000328784    0.000085164
     38        1           0.000795755    0.000475380   -0.000285575
     39        1           0.000015772   -0.000084280   -0.000246791
     40        1           0.000359293    0.000240230    0.000634623
     41        1          -0.000042973    0.000265042    0.000156544
     42        1           0.000161493    0.000109834    0.000079086
     43        1          -0.000024498    0.000022780   -0.000053498
     44        1          -0.000140244   -0.000266170    0.000223912
     45        1           0.000184681   -0.000410881   -0.000089651
     46        1          -0.000063359   -0.000172673   -0.000161353
     47        1          -0.000132942   -0.000258949    0.000167376
     48        1           0.000244049    0.000171566    0.000196437
     49        1           0.000538183    0.000337120    0.000733927
     50        1           0.000190430   -0.000210556    0.000076750
     51        1           0.000253843   -0.000107369   -0.000281529
     52        1          -0.000121524   -0.000169670   -0.000036426
     53        1           0.000046856    0.000212064   -0.000015958
     54        1           0.000100731   -0.000016770   -0.000221944
     55        1          -0.000588795    0.000310872   -0.000246383
     56        1           0.000295761   -0.000517720   -0.000433687
     57        1          -0.000239285    0.000154906    0.000718875
     58        1           0.000034805   -0.000079750   -0.000043129
     59        1          -0.000015862   -0.000005969   -0.000219381
     60        8           0.000933239    0.002589722   -0.008160103
     61        1          -0.003132646   -0.000359329   -0.000935983
     62        1          -0.002613364   -0.004698115    0.006294425
     63        6          -0.002972952   -0.001761191    0.000442202
     64        8           0.000281169    0.000970253   -0.003079898
     65        7           0.000238545    0.001880997   -0.000932061
     66        6           0.001320484   -0.000404903   -0.000085225
     67        6          -0.001386256   -0.001423766   -0.000251229
     68        8           0.001718015    0.001761428    0.000572267
     69        7          -0.001880800    0.002003714   -0.000527937
     70        1          -0.000117622   -0.000388130    0.000032656
     71        1           0.000302404   -0.000169028    0.000081294
     72        1          -0.000091206    0.000202526    0.000319577
     73        1           0.000891530   -0.000428120    0.000036511
     74        6           0.001152778    0.000145605    0.001802076
     75        1          -0.000144440   -0.000258484   -0.000394929
     76        1          -0.000068321   -0.000001134   -0.000049746
     77        1          -0.000012297   -0.000235347   -0.000264947
     78        6           0.000066511    0.000260909    0.001019916
     79        1           0.000034776   -0.000089280   -0.000190355
     80        1           0.000194426    0.000074589   -0.000207398
     81        1           0.000028608    0.000066210   -0.000063372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008395446 RMS     0.001583655

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.008525502 RMS     0.000723413
 Search for a local minimum.
 Step number  12 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   11   12
 DE= -1.94D-03 DEPred=-1.38D-03 R= 1.41D+00
 TightC=F SS=  1.41D+00  RLast= 3.24D-01 DXNew= 5.0454D+00 9.7226D-01
 Trust test= 1.41D+00 RLast= 3.24D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00058   0.00219   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00374   0.00403   0.00456   0.00519   0.00528
     Eigenvalues ---    0.00647   0.00702   0.00739   0.00758   0.00761
     Eigenvalues ---    0.00811   0.00860   0.00957   0.01020   0.01217
     Eigenvalues ---    0.01286   0.01319   0.01344   0.01363   0.01414
     Eigenvalues ---    0.01448   0.01489   0.01629   0.01643   0.01743
     Eigenvalues ---    0.01780   0.01833   0.01854   0.01855   0.01921
     Eigenvalues ---    0.01948   0.01984   0.02005   0.02114   0.02166
     Eigenvalues ---    0.02246   0.02266   0.02282   0.02307   0.02354
     Eigenvalues ---    0.02574   0.02938   0.03060   0.03265   0.03648
     Eigenvalues ---    0.03888   0.03991   0.04074   0.04331   0.04400
     Eigenvalues ---    0.04721   0.04973   0.05079   0.05306   0.05322
     Eigenvalues ---    0.05362   0.05378   0.05398   0.05402   0.05465
     Eigenvalues ---    0.05507   0.05519   0.05523   0.05540   0.05582
     Eigenvalues ---    0.05636   0.06248   0.06645   0.06876   0.06906
     Eigenvalues ---    0.07396   0.07474   0.07507   0.07607   0.08069
     Eigenvalues ---    0.08384   0.08398   0.09131   0.09276   0.09550
     Eigenvalues ---    0.09633   0.09797   0.10077   0.10681   0.11111
     Eigenvalues ---    0.11624   0.12280   0.12711   0.12895   0.13058
     Eigenvalues ---    0.13130   0.13265   0.14539   0.15566   0.15766
     Eigenvalues ---    0.15940   0.15982   0.15988   0.15990   0.15992
     Eigenvalues ---    0.15994   0.15995   0.15997   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16009   0.16013   0.16033   0.16074
     Eigenvalues ---    0.16098   0.16226   0.16408   0.17121   0.17912
     Eigenvalues ---    0.18568   0.19035   0.19690   0.20448   0.21356
     Eigenvalues ---    0.21559   0.21892   0.22033   0.22163   0.22451
     Eigenvalues ---    0.22620   0.22824   0.23101   0.23453   0.23615
     Eigenvalues ---    0.24076   0.24242   0.24495   0.24649   0.24944
     Eigenvalues ---    0.25004   0.25240   0.26325   0.27170   0.27465
     Eigenvalues ---    0.27801   0.28149   0.28196   0.28410   0.30239
     Eigenvalues ---    0.30487   0.30704   0.31370   0.31555   0.31703
     Eigenvalues ---    0.33602   0.33610   0.33628   0.33652   0.33664
     Eigenvalues ---    0.33715   0.33787   0.33819   0.33848   0.33895
     Eigenvalues ---    0.33924   0.33932   0.33943   0.33983   0.33988
     Eigenvalues ---    0.33992   0.34030   0.34047   0.34075   0.34082
     Eigenvalues ---    0.34096   0.34129   0.34173   0.34175   0.34183
     Eigenvalues ---    0.34223   0.34247   0.34254   0.34303   0.34614
     Eigenvalues ---    0.35666   0.35698   0.35769   0.36033   0.36236
     Eigenvalues ---    0.36309   0.36394   0.36618   0.38849   0.39165
     Eigenvalues ---    0.39359   0.42276   0.42386   0.42546   0.45098
     Eigenvalues ---    0.45256   0.45317   0.45463   0.45533   0.45582
     Eigenvalues ---    0.45597   0.45641   0.45881   0.49019   0.49088
     Eigenvalues ---    0.49355   0.49543   0.49882   0.52320   0.54326
     Eigenvalues ---    0.54867   0.54948   0.55782   0.68661   0.73035
     Eigenvalues ---    0.763131000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 RFO step:  Lambda=-3.68281283D-03 EMin= 5.84016730D-04
 Quartic linear search produced a step of  1.45760.
 Iteration  1 RMS(Cart)=  0.08602061 RMS(Int)=  0.00382644
 Iteration  2 RMS(Cart)=  0.00574028 RMS(Int)=  0.00059632
 Iteration  3 RMS(Cart)=  0.00008657 RMS(Int)=  0.00059598
 New curvilinear step failed, DQL= 1.17D-06 SP=-2.82D-04.
 ITry= 1 IFail=1 DXMaxC= 4.38D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08052728 RMS(Int)=  0.00343747
 Iteration  2 RMS(Cart)=  0.00512111 RMS(Int)=  0.00052317
 Iteration  3 RMS(Cart)=  0.00006690 RMS(Int)=  0.00052289
 New curvilinear step failed, DQL= 7.84D-07 SP=-1.46D-03.
 ITry= 2 IFail=1 DXMaxC= 4.16D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07533661 RMS(Int)=  0.00307919
 Iteration  2 RMS(Cart)=  0.00455682 RMS(Int)=  0.00045545
 Iteration  3 RMS(Cart)=  0.00005109 RMS(Int)=  0.00045522
 New curvilinear step failed, DQL= 5.13D-07 SP=-2.90D-03.
 ITry= 3 IFail=1 DXMaxC= 4.07D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07051558 RMS(Int)=  0.00275240
 Iteration  2 RMS(Cart)=  0.00404791 RMS(Int)=  0.00039321
 Iteration  3 RMS(Cart)=  0.00003848 RMS(Int)=  0.00039302
 New curvilinear step failed, DQL= 3.24D-07 SP=-3.90D-03.
 ITry= 4 IFail=1 DXMaxC= 3.97D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06614539 RMS(Int)=  0.00245791
 Iteration  2 RMS(Cart)=  0.00359470 RMS(Int)=  0.00033654
 Iteration  3 RMS(Cart)=  0.00002866 RMS(Int)=  0.00033637
 New curvilinear step failed, DQL= 1.99D-07 SP=-5.98D-03.
 ITry= 5 IFail=1 DXMaxC= 3.88D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06232070 RMS(Int)=  0.00219652
 Iteration  2 RMS(Cart)=  0.00319679 RMS(Int)=  0.00028554
 Iteration  3 RMS(Cart)=  0.00002124 RMS(Int)=  0.00028540
 New curvilinear step failed, DQL= 1.18D-07 SP=-1.00D-02.
 ITry= 6 IFail=1 DXMaxC= 3.79D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05915032 RMS(Int)=  0.00196924
 Iteration  2 RMS(Cart)=  0.00285560 RMS(Int)=  0.00024040
 Iteration  3 RMS(Cart)=  0.00001581 RMS(Int)=  0.00024028
 New curvilinear step failed, DQL= 6.69D-08 SP=-1.71D-02.
 ITry= 7 IFail=1 DXMaxC= 3.70D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05673487 RMS(Int)=  0.00177639
 Iteration  2 RMS(Cart)=  0.00256727 RMS(Int)=  0.00020139
 Iteration  3 RMS(Cart)=  0.00001208 RMS(Int)=  0.00020128
 Iteration  4 RMS(Cart)=  0.00000001 RMS(Int)=  0.00020128
 ITry= 8 IFail=0 DXMaxC= 3.61D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48451  -0.00050   0.00000   0.00000   0.00000   8.48451
    Y1       -0.92762  -0.00044  -0.00001   0.00000   0.00000  -0.92762
    Z1        7.47501   0.00068   0.00003   0.00000   0.00000   7.47501
    X8       10.19805   0.00123  -0.00001   0.00000   0.00000  10.19805
    Y8        1.20623   0.00007   0.00000   0.00000   0.00000   1.20623
    Z8        0.50967   0.00029  -0.00002   0.00000   0.00000   0.50967
   X14        7.21039  -0.00011   0.00001   0.00000   0.00000   7.21039
   Y14       -7.64140  -0.00138   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00013  -0.00001   0.00000   0.00000  -3.84248
   X21       -6.13879  -0.00008   0.00000   0.00000   0.00000  -6.13879
   Y21       -9.38867   0.00037   0.00001   0.00000   0.00000  -9.38867
   Z21        4.09467  -0.00066   0.00000   0.00000   0.00000   4.09467
    R1        2.92229   0.00017   0.00121   0.00200   0.00226   2.92455
    R2        2.07234   0.00002  -0.00008   0.00013  -0.00009   2.07225
    R3        2.07078  -0.00038  -0.00247  -0.00074  -0.00269   2.06810
    R4        2.07119   0.00037   0.00162   0.00107   0.00174   2.07293
    R5        2.85716  -0.00041  -0.00083  -0.00152  -0.00120   2.85596
    R6        2.07840  -0.00044  -0.00182  -0.00117  -0.00217   2.07623
    R7        2.07933  -0.00002   0.00066  -0.00029   0.00058   2.07991
    R8        2.63198  -0.00023  -0.00204  -0.00207  -0.00263   2.62935
    R9        2.64792   0.00057   0.00415   0.00330   0.00510   2.65301
   R10        2.66176  -0.00111  -0.00111  -0.00342  -0.00204   2.65972
   R11        2.03525   0.00009   0.00235  -0.00050   0.00220   2.03745
   R12        2.59754   0.00061   0.00026   0.00181   0.00083   2.59837
   R13        1.91199   0.00005   0.00005   0.00013   0.00009   1.91207
   R14        2.53907  -0.00167  -0.00148  -0.00350  -0.00248   2.53659
   R15        2.03155   0.00070   0.00122   0.00335   0.00222   2.03377
   R16        4.76311  -0.00131  -0.00477  -0.07576  -0.02735   4.73576
   R17        2.92454  -0.00055   0.00127  -0.00239   0.00004   2.92458
   R18        2.06832   0.00007   0.00078   0.00094   0.00114   2.06946
   R19        2.08012  -0.00011  -0.00025   0.00003  -0.00034   2.07978
   R20        2.07493  -0.00004  -0.00017  -0.00020   0.00004   2.07497
   R21        2.92720  -0.00059   0.00248  -0.00411   0.00094   2.92813
   R22        2.07566   0.00051   0.00129   0.00096   0.00157   2.07724
   R23        2.07356  -0.00030  -0.00030  -0.00102  -0.00060   2.07295
   R24        2.87362  -0.00019  -0.00206   0.00103  -0.00172   2.87190
   R25        2.07163   0.00012  -0.00027   0.00015  -0.00023   2.07141
   R26        2.07838   0.00005   0.00015   0.00016   0.00020   2.07858
   R27        2.41665  -0.00278  -0.00966  -0.00276  -0.01023   2.40642
   R28        2.51508   0.00853   0.01523   0.01182   0.01850   2.53358
   R29        3.54088   0.00157   0.01304   0.02809   0.02174   3.56262
   R30        2.28795   0.00085   0.00869   0.00752   0.01074   2.29870
   R31        2.91496   0.00027   0.00229   0.00049   0.00259   2.91755
   R32        2.07298  -0.00033  -0.00159  -0.00110  -0.00179   2.07119
   R33        2.06944   0.00041   0.00182   0.00101   0.00214   2.07159
   R34        2.07399  -0.00014  -0.00109  -0.00006  -0.00134   2.07266
   R35        2.84765   0.00009  -0.00208   0.00083  -0.00183   2.84583
   R36        2.08069  -0.00020  -0.00069  -0.00066  -0.00088   2.07981
   R37        2.08080  -0.00017  -0.00041  -0.00085  -0.00067   2.08013
   R38        2.62057   0.00019   0.00066  -0.00071   0.00027   2.62084
   R39        2.66027  -0.00107  -0.00154  -0.00203  -0.00207   2.65820
   R40        2.65768   0.00031  -0.00256   0.00090  -0.00235   2.65532
   R41        2.03261   0.00096   0.00699   0.00039   0.00711   2.03972
   R42        2.59229   0.00044   0.00234   0.00080   0.00272   2.59501
   R43        1.91246   0.00002   0.00019  -0.00017   0.00014   1.91260
   R44        2.52961   0.00043   0.00012   0.00047   0.00027   2.52988
   R45        2.03536  -0.00016  -0.00116   0.00021  -0.00110   2.03426
   R46        4.07780   0.00087   0.01575   0.01151   0.01919   4.09699
   R47        2.91717   0.00027   0.00168   0.00135   0.00198   2.91915
   R48        2.07188   0.00006  -0.00012   0.00022  -0.00012   2.07176
   R49        2.07216   0.00007   0.00089   0.00008   0.00103   2.07319
   R50        2.07079  -0.00012  -0.00057  -0.00032  -0.00066   2.07013
   R51        2.83868   0.00055   0.00200   0.00279   0.00282   2.84151
   R52        2.08050  -0.00014  -0.00004  -0.00029  -0.00013   2.08037
   R53        2.07835  -0.00002  -0.00019   0.00001  -0.00019   2.07816
   R54        2.61694  -0.00051  -0.00202  -0.00007  -0.00196   2.61499
   R55        2.65634   0.00028  -0.00040   0.00203   0.00018   2.65652
   R56        2.64147   0.00070   0.00197   0.00273   0.00283   2.64431
   R57        2.03492  -0.00044  -0.00167  -0.00028  -0.00175   2.03317
   R58        2.60452  -0.00054  -0.00012  -0.00209  -0.00082   2.60370
   R59        1.91311  -0.00007  -0.00027  -0.00012  -0.00031   1.91281
   R60        2.52476   0.00025  -0.00124   0.00083  -0.00099   2.52376
   R61        2.03641   0.00003  -0.00031   0.00060  -0.00013   2.03628
   R62        3.92490   0.00019  -0.00482   0.00076  -0.00457   3.92033
   R63        3.72605  -0.00204  -0.02055  -0.01018  -0.02347   3.70258
   R64        4.13345   0.00278   0.04338   0.03319   0.05335   4.18680
   R65        4.68105   0.00032   0.03407   0.02169   0.04065   4.72170
   R66        1.87801  -0.00076  -0.00269  -0.00180  -0.00317   1.87484
   R67        2.32001  -0.00528  -0.00947  -0.01802  -0.01494   2.30507
   R68        2.39751   0.00090   0.00228   0.00146   0.00265   2.40016
   R69        2.56940   0.00200   0.00265   0.00267   0.00325   2.57265
   R70        2.87275  -0.00062  -0.00268  -0.00230  -0.00337   2.86938
   R71        2.76752   0.00068   0.00006   0.00118   0.00025   2.76777
   R72        1.91364   0.00004   0.00021   0.00014   0.00025   1.91390
   R73        2.90965   0.00046  -0.00303   0.00206  -0.00234   2.90730
   R74        2.07438   0.00011   0.00023  -0.00004   0.00022   2.07460
   R75        2.06879  -0.00016   0.00050  -0.00059   0.00032   2.06911
   R76        2.40849  -0.00086   0.00020  -0.00087   0.00016   2.40865
   R77        2.55252   0.00098   0.00277   0.00174   0.00329   2.55581
   R78        1.91987   0.00027   0.00088   0.00073   0.00110   1.92097
   R79        2.77411   0.00128   0.00452   0.00284   0.00538   2.77949
   R80        2.07159  -0.00037  -0.00114  -0.00126  -0.00152   2.07007
   R81        2.06246   0.00002  -0.00032   0.00026  -0.00024   2.06221
   R82        2.07090   0.00004  -0.00011   0.00037   0.00000   2.07091
   R83        2.07069   0.00021   0.00088   0.00067   0.00108   2.07177
   R84        2.06989  -0.00028  -0.00090  -0.00076  -0.00113   2.06877
   R85        2.06835   0.00006   0.00004   0.00003   0.00005   2.06840
    A1        1.92279  -0.00010  -0.00240  -0.00020  -0.00259   1.92020
    A2        1.94233   0.00004   0.00387  -0.00056   0.00356   1.94589
    A3        1.93959  -0.00018  -0.00248  -0.00075  -0.00275   1.93683
    A4        1.88249   0.00009   0.00130   0.00142   0.00176   1.88425
    A5        1.89065   0.00006   0.00002  -0.00068  -0.00004   1.89061
    A6        1.88410   0.00009  -0.00024   0.00085   0.00015   1.88424
    A7        2.00825   0.00002   0.00154   0.00006   0.00153   2.00979
    A8        1.90594  -0.00014  -0.00144  -0.00379  -0.00247   1.90347
    A9        1.89089   0.00018   0.00077   0.00464   0.00207   1.89296
   A10        1.91199  -0.00013   0.00186  -0.00482   0.00042   1.91241
   A11        1.89170   0.00003  -0.00259   0.00299  -0.00169   1.89001
   A12        1.84822   0.00006  -0.00030   0.00123   0.00007   1.84829
   A13        2.34632   0.00018   0.00529  -0.00433   0.00414   2.35047
   A14        2.11415  -0.00006  -0.00418   0.00308  -0.00327   2.11088
   A15        1.82232  -0.00012  -0.00040   0.00030  -0.00065   1.82167
   A16        1.92947  -0.00027  -0.00321  -0.00132  -0.00375   1.92572
   A17        2.23344   0.00126   0.01366   0.00895   0.01641   2.24985
   A18        2.11916  -0.00097  -0.01067  -0.00672  -0.01260   2.10656
   A19        1.89882  -0.00033   0.00261  -0.00016   0.00228   1.90111
   A20        2.18857  -0.00027  -0.00278  -0.00251  -0.00359   2.18498
   A21        2.19578   0.00060   0.00028   0.00274   0.00104   2.19682
   A22        1.93242  -0.00040  -0.00624  -0.00320  -0.00727   1.92515
   A23        2.14985   0.00060   0.00295   0.00602   0.00479   2.15464
   A24        2.20089  -0.00020   0.00334  -0.00291   0.00249   2.20338
   A25        1.84159   0.00113   0.00714   0.00522   0.00853   1.85011
   A26        2.26977  -0.00302  -0.02742  -0.03676  -0.03822   2.23155
   A27        2.12822   0.00178   0.02266   0.03038   0.03183   2.16005
   A28        1.91903   0.00054   0.01499   0.00217   0.01578   1.93481
   A29        1.94330  -0.00096  -0.01195  -0.00185  -0.01235   1.93094
   A30        1.93300  -0.00027  -0.00310  -0.00161  -0.00367   1.92933
   A31        1.89559   0.00054   0.00852   0.00434   0.00988   1.90546
   A32        1.89044  -0.00016  -0.00319  -0.00373  -0.00455   1.88589
   A33        1.88106   0.00033  -0.00516   0.00069  -0.00525   1.87582
   A34        1.98052  -0.00037   0.00255  -0.00524   0.00045   1.98098
   A35        1.92296  -0.00023  -0.00650  -0.00032  -0.00647   1.91648
   A36        1.89654   0.00020   0.00259   0.00097   0.00310   1.89964
   A37        1.88782   0.00043   0.00054   0.00636   0.00258   1.89040
   A38        1.90197  -0.00007  -0.00042  -0.00483  -0.00175   1.90022
   A39        1.87088   0.00006   0.00122   0.00348   0.00221   1.87309
   A40        1.94775  -0.00071  -0.00274  -0.00578  -0.00437   1.94338
   A41        1.94620   0.00007   0.00163  -0.00026   0.00146   1.94766
   A42        1.91564   0.00024   0.00424  -0.00155   0.00379   1.91943
   A43        1.88700   0.00028   0.00372   0.00145   0.00415   1.89116
   A44        1.89699   0.00026  -0.00593   0.00465  -0.00458   1.89241
   A45        1.86783  -0.00010  -0.00108   0.00199  -0.00047   1.86736
   A46        2.10788   0.00026  -0.00168   0.00442   0.00009   2.10797
   A47        2.04554   0.00013  -0.00095  -0.00205  -0.00188   2.04367
   A48        2.12759  -0.00039   0.00185  -0.00203   0.00100   2.12859
   A49        1.77819  -0.00020  -0.00068  -0.00097  -0.00098   1.77721
   A50        1.85958  -0.00140  -0.00756  -0.00223  -0.00859   1.85099
   A51        1.93599   0.00015   0.00082   0.00080   0.00094   1.93693
   A52        1.92274  -0.00018  -0.00285   0.00130  -0.00253   1.92021
   A53        1.94492  -0.00021   0.00059  -0.00316  -0.00028   1.94464
   A54        1.88880   0.00015   0.00449   0.00222   0.00506   1.89386
   A55        1.88770   0.00005  -0.00113   0.00033  -0.00096   1.88673
   A56        1.88182   0.00005  -0.00183  -0.00142  -0.00213   1.87969
   A57        1.98533  -0.00076  -0.00850  -0.00574  -0.01030   1.97503
   A58        1.89564   0.00024   0.00660   0.00280   0.00761   1.90325
   A59        1.91133   0.00009  -0.00103  -0.00278  -0.00199   1.90935
   A60        1.89479   0.00022  -0.00266   0.00484  -0.00116   1.89362
   A61        1.91571   0.00036   0.00645   0.00064   0.00665   1.92236
   A62        1.85645  -0.00010  -0.00037   0.00077  -0.00015   1.85630
   A63        2.33136  -0.00039  -0.00026  -0.00135  -0.00094   2.33042
   A64        2.12608  -0.00003  -0.00305   0.00313  -0.00185   2.12424
   A65        1.82424   0.00043   0.00352  -0.00036   0.00335   1.82758
   A66        1.91899  -0.00012  -0.00374  -0.00030  -0.00370   1.91529
   A67        2.24301   0.00016   0.00854   0.00133   0.00887   2.25189
   A68        2.12082  -0.00004  -0.00471  -0.00103  -0.00509   2.11573
   A69        1.90142  -0.00005  -0.00161   0.00208  -0.00099   1.90043
   A70        2.18894  -0.00022  -0.00198  -0.00261  -0.00276   2.18618
   A71        2.19220   0.00028   0.00358   0.00064   0.00378   2.19597
   A72        1.91947   0.00007  -0.00211  -0.00236  -0.00289   1.91658
   A73        2.18104  -0.00035   0.00077   0.00007   0.00082   2.18186
   A74        2.18220   0.00027   0.00136   0.00222   0.00206   2.18426
   A75        1.86058  -0.00034   0.00401   0.00082   0.00423   1.86482
   A76        2.18717   0.00096   0.00206   0.00650   0.00373   2.19090
   A77        2.20164  -0.00068  -0.00603  -0.00640  -0.00761   2.19403
   A78        1.94112   0.00004   0.00058  -0.00007   0.00062   1.94174
   A79        1.94194  -0.00027  -0.00097  -0.00089  -0.00127   1.94067
   A80        1.92345   0.00026   0.00275   0.00067   0.00298   1.92643
   A81        1.89140   0.00010  -0.00094   0.00039  -0.00086   1.89055
   A82        1.88404  -0.00021  -0.00192  -0.00221  -0.00254   1.88150
   A83        1.87979   0.00007   0.00041   0.00212   0.00097   1.88076
   A84        1.93868   0.00039   0.00033   0.00645   0.00229   1.94097
   A85        1.90143   0.00003   0.00206   0.00354   0.00320   1.90463
   A86        1.92012  -0.00029  -0.00207  -0.00637  -0.00407   1.91605
   A87        1.91802  -0.00028  -0.00356  -0.00213  -0.00421   1.91381
   A88        1.92639   0.00007   0.00293  -0.00103   0.00262   1.92901
   A89        1.85731   0.00006   0.00028  -0.00075   0.00007   1.85738
   A90        2.27340   0.00025   0.00104   0.00291   0.00199   2.27539
   A91        2.18107  -0.00029   0.00030  -0.00412  -0.00103   2.18004
   A92        1.82819   0.00003  -0.00153   0.00090  -0.00131   1.82688
   A93        1.91513   0.00021   0.00324  -0.00189   0.00261   1.91774
   A94        2.25581  -0.00044  -0.00245  -0.00079  -0.00266   2.25315
   A95        2.11220   0.00024  -0.00080   0.00266   0.00003   2.11223
   A96        1.89897  -0.00008  -0.00033   0.00068  -0.00029   1.89868
   A97        2.19362  -0.00001  -0.00123   0.00057  -0.00111   2.19251
   A98        2.19032   0.00010   0.00122  -0.00063   0.00099   2.19131
   A99        1.90891   0.00044   0.00261  -0.00031   0.00246   1.91137
   A100       2.19244  -0.00013   0.00032  -0.00006   0.00032   2.19276
   A101       2.18180  -0.00031  -0.00294   0.00021  -0.00286   2.17894
   A102       1.87348  -0.00060  -0.00397   0.00113  -0.00382   1.86965
   A103       2.13080   0.00058  -0.00121   0.00046  -0.00101   2.12979
   A104       2.27753   0.00004   0.00625  -0.00046   0.00582   2.28335
   A105       1.66377   0.00028   0.00470   0.00620   0.00665   1.67042
   A106       1.46199  -0.00113   0.00615  -0.00160   0.00595   1.46794
   A107       1.46036   0.00185   0.00869   0.01656   0.01381   1.47417
   A108       3.04070  -0.00127  -0.00453  -0.01105  -0.00819   3.03251
   A109       1.78575  -0.00101  -0.01736  -0.01844  -0.02327   1.76248
   A110       1.74202  -0.00068  -0.00771  -0.00997  -0.01128   1.73074
   A111       1.64943  -0.00018  -0.01174  -0.00785  -0.01366   1.63577
   A112       1.50411   0.00006   0.00239   0.00433   0.00434   1.50845
   A113       2.83290   0.00074   0.01230   0.01223   0.01618   2.84908
   A114       2.82289   0.00111   0.02424   0.02323   0.03142   2.85432
   A115       1.57918  -0.00013  -0.01017  -0.00855  -0.01260   1.56658
   A116       1.45743   0.00067   0.00867   0.00801   0.01145   1.46887
   A117       1.77665  -0.00065  -0.00593  -0.00844  -0.00889   1.76777
   A118       1.50604  -0.00028   0.00196   0.00117   0.00256   1.50860
   A119       1.33319   0.00070   0.01087   0.00828   0.01296   1.34615
   A120       1.95269   0.00093   0.02107   0.03752   0.03337   1.98606
   A121       2.69212  -0.00277  -0.02459  -0.04660  -0.03953   2.65259
   A122       1.63745   0.00184   0.00404   0.01015   0.00681   1.64426
   A123       2.32560  -0.00039  -0.00527  -0.01437  -0.01033   2.31528
   A124       2.77691   0.00043   0.00230   0.00470   0.00435   2.78126
   A125       2.15081  -0.00097  -0.00518  -0.00555  -0.00690   2.14391
   A126       2.09675   0.00066   0.00223   0.00360   0.00333   2.10008
   A127       2.03556   0.00030   0.00299   0.00189   0.00358   2.03914
   A128       2.46771  -0.00109  -0.00602  -0.01298  -0.00976   2.45794
   A129       2.17177  -0.00029  -0.00376  -0.00610  -0.00569   2.16607
   A130       2.05541   0.00027   0.00412   0.00339   0.00518   2.06059
   A131       2.05515   0.00003  -0.00057   0.00278   0.00031   2.05546
   A132       1.98273  -0.00024   0.00731  -0.00090   0.00689   1.98962
   A133       1.91014   0.00002  -0.00276  -0.00114  -0.00302   1.90712
   A134       1.89201   0.00014   0.00127   0.00258   0.00206   1.89407
   A135       1.84389   0.00056   0.00001   0.00278   0.00087   1.84476
   A136       1.93883  -0.00046  -0.00627  -0.00385  -0.00738   1.93145
   A137       1.89414   0.00000   0.00015   0.00054   0.00029   1.89443
   A138       2.10395   0.00073   0.00966   0.00546   0.01146   2.11541
   A139       2.01220  -0.00027  -0.00652  -0.00159  -0.00732   2.00487
   A140       2.16434  -0.00047  -0.00093  -0.00490  -0.00274   2.16160
   A141       1.83220  -0.00166  -0.00689  -0.01498  -0.01135   1.82086
   A142       2.06913   0.00013  -0.00034  -0.00125  -0.00124   2.06789
   A143       2.15104   0.00024   0.00188  -0.00252   0.00064   2.15168
   A144       2.04033  -0.00050  -0.00830  -0.00547  -0.01040   2.02993
   A145       1.92571  -0.00036  -0.00199  -0.00300  -0.00290   1.92281
   A146       1.89536  -0.00001   0.00226  -0.00057   0.00209   1.89745
   A147       1.91918  -0.00034  -0.00557  -0.00151  -0.00603   1.91315
   A148       1.90982   0.00016   0.00217   0.00137   0.00258   1.91240
   A149       1.90904   0.00041   0.00407   0.00248   0.00481   1.91385
   A150       1.90453   0.00014  -0.00092   0.00126  -0.00054   1.90399
   A151       1.90297   0.00001  -0.00390   0.00115  -0.00356   1.89941
   A152       1.90560   0.00004   0.00344  -0.00027   0.00336   1.90895
   A153       1.97788  -0.00006  -0.00052  -0.00094  -0.00081   1.97707
   A154       1.87772  -0.00002  -0.00018  -0.00011  -0.00021   1.87751
   A155       1.89502  -0.00003  -0.00088  -0.00047  -0.00103   1.89398
   A156       1.90209   0.00007   0.00204   0.00067   0.00224   1.90433
    D1        3.13666  -0.00009  -0.00080  -0.00179  -0.00137   3.13529
    D2        0.97864   0.00018  -0.00324   0.00755  -0.00108   0.97757
    D3       -1.02668   0.00010  -0.00254   0.00560  -0.00096  -1.02765
    D4        1.04949  -0.00017  -0.00334  -0.00308  -0.00416   1.04533
    D5       -1.10853   0.00010  -0.00579   0.00627  -0.00387  -1.11240
    D6       -3.11385   0.00002  -0.00508   0.00432  -0.00376  -3.11761
    D7       -1.05091  -0.00019  -0.00398  -0.00326  -0.00488  -1.05580
    D8        3.07426   0.00008  -0.00642   0.00608  -0.00459   3.06967
    D9        1.06893  -0.00001  -0.00572   0.00413  -0.00448   1.06446
   D10       -0.91876  -0.00053  -0.04435  -0.08425  -0.06976  -0.98852
   D11        2.25828  -0.00010  -0.06969  -0.04166  -0.08239   2.17588
   D12        1.23604  -0.00080  -0.04365  -0.09307  -0.07158   1.16446
   D13       -1.87011  -0.00037  -0.06900  -0.05048  -0.08421  -1.95432
   D14       -3.03817  -0.00079  -0.04443  -0.09255  -0.07220  -3.11037
   D15        0.13887  -0.00036  -0.06978  -0.04996  -0.08483   0.05403
   D16       -3.09293  -0.00012   0.01462  -0.00596   0.01240  -3.08053
   D17       -0.00189   0.00029   0.00916   0.01462   0.01334   0.01145
   D18        0.01734  -0.00050   0.03690  -0.04354   0.02353   0.04087
   D19        3.10837  -0.00009   0.03144  -0.02297   0.02447   3.13284
   D20        3.10100   0.00021  -0.02056   0.01131  -0.01711   3.08388
   D21       -0.03656  -0.00004   0.00486  -0.00579   0.00296  -0.03360
   D22       -0.01447   0.00052  -0.03944   0.04281  -0.02650  -0.04097
   D23        3.13116   0.00027  -0.01402   0.02572  -0.00642   3.12474
   D24       -0.01371   0.00028  -0.02046   0.02789  -0.01200  -0.02571
   D25        2.81201   0.00044  -0.00607   0.03155   0.00346   2.81547
   D26       -3.10861  -0.00017  -0.01616   0.00836  -0.01380  -3.12240
   D27       -0.28288   0.00000  -0.00177   0.01202   0.00166  -0.28122
   D28        0.00663  -0.00037   0.02902  -0.02779   0.02049   0.02712
   D29       -3.12811  -0.00009   0.02303  -0.01548   0.01808  -3.11003
   D30       -3.13902  -0.00012   0.00350  -0.01062   0.00023  -3.13879
   D31        0.00942   0.00016  -0.00249   0.00169  -0.00218   0.00725
   D32        0.00418   0.00006  -0.00542   0.00022  -0.00531  -0.00114
   D33       -2.85339   0.00098  -0.00716   0.01149  -0.00447  -2.85787
   D34        3.13867  -0.00023   0.00078  -0.01249  -0.00281   3.13586
   D35        0.28110   0.00069  -0.00096  -0.00121  -0.00197   0.27913
   D36        1.57475   0.00025  -0.04741   0.04738  -0.03289   1.54186
   D37       -2.97497  -0.00055  -0.05520   0.03661  -0.04440  -3.01936
   D38       -0.06514   0.00030  -0.03577   0.05453  -0.01970  -0.08484
   D39       -2.87819   0.00033   0.01457   0.12546   0.05194  -2.82625
   D40       -1.54496   0.00002  -0.04220   0.04711  -0.02815  -1.57311
   D41       -1.92732   0.00014  -0.03543   0.04501  -0.02161  -1.94893
   D42       -0.19385  -0.00066  -0.04322   0.03424  -0.03312  -0.22697
   D43        2.71598   0.00019  -0.02379   0.05216  -0.00842   2.70756
   D44       -0.09707   0.00021   0.02655   0.12309   0.06322  -0.03385
   D45        1.23616  -0.00009  -0.03022   0.04474  -0.01688   1.21928
   D46        1.22837  -0.00008  -0.05115  -0.04415  -0.06424   1.16413
   D47       -2.93519   0.00005  -0.05345  -0.03981  -0.06533  -3.00052
   D48       -0.89030   0.00011  -0.05414  -0.03523  -0.06453  -0.95483
   D49       -0.87336  -0.00049  -0.06411  -0.04985  -0.07905  -0.95241
   D50        1.24627  -0.00036  -0.06640  -0.04551  -0.08014   1.16613
   D51       -2.99203  -0.00030  -0.06709  -0.04092  -0.07935  -3.07137
   D52       -2.96614  -0.00010  -0.04746  -0.04842  -0.06207  -3.02821
   D53       -0.84651   0.00003  -0.04975  -0.04408  -0.06316  -0.90967
   D54        1.19838   0.00009  -0.05044  -0.03949  -0.06237   1.13602
   D55       -0.93210   0.00005  -0.05557   0.01538  -0.05103  -0.98313
   D56        1.18028  -0.00004  -0.05158   0.01301  -0.04774   1.13254
   D57       -3.03621   0.00003  -0.04919   0.01433  -0.04497  -3.08118
   D58       -3.07127   0.00028  -0.04936   0.01467  -0.04494  -3.11620
   D59       -0.95889   0.00019  -0.04536   0.01231  -0.04164  -1.00053
   D60        1.10781   0.00026  -0.04298   0.01363  -0.03887   1.06893
   D61        1.18353   0.00002  -0.05088   0.00967  -0.04802   1.13550
   D62       -2.98728  -0.00008  -0.04688   0.00731  -0.04473  -3.03201
   D63       -0.92059  -0.00001  -0.04450   0.00862  -0.04196  -0.96255
   D64       -0.52391  -0.00007  -0.02836  -0.01765  -0.03381  -0.55772
   D65        2.54836  -0.00006  -0.04166  -0.01237  -0.04544   2.50292
   D66       -2.67041   0.00011  -0.03118  -0.01457  -0.03565  -2.70606
   D67        0.40186   0.00012  -0.04448  -0.00929  -0.04727   0.35458
   D68        1.59108  -0.00005  -0.02878  -0.02015  -0.03488   1.55620
   D69       -1.61983  -0.00004  -0.04207  -0.01487  -0.04651  -1.66634
   D70        2.78720  -0.00028  -0.02878  -0.00940  -0.03125   2.75595
   D71       -0.28176  -0.00031  -0.01474  -0.01494  -0.01893  -0.30069
   D72       -2.84836   0.00060   0.01115   0.01262   0.01464  -2.83372
   D73        0.22307   0.00064  -0.00244   0.01823   0.00282   0.22589
   D74        0.13245   0.00044   0.04042   0.00251   0.04137   0.17383
   D75        0.27959  -0.00018   0.04064  -0.00358   0.04000   0.31959
   D76       -1.02769   0.00010   0.01012   0.00234   0.01067  -1.01702
   D77        1.08434   0.00005   0.00589   0.00674   0.00782   1.09216
   D78        3.10493   0.00010   0.00855   0.00770   0.01079   3.11572
   D79       -3.11864  -0.00007   0.00584  -0.00180   0.00539  -3.11324
   D80       -1.00661  -0.00012   0.00161   0.00260   0.00255  -1.00406
   D81        1.01398  -0.00006   0.00427   0.00356   0.00552   1.01950
   D82        1.07658   0.00012   0.00965   0.00116   0.00990   1.08648
   D83       -3.09457   0.00007   0.00541   0.00556   0.00705  -3.08752
   D84       -1.07398   0.00012   0.00808   0.00652   0.01003  -1.06396
   D85       -0.16338  -0.00028  -0.03229  -0.06045  -0.05017  -0.21355
   D86        2.90934  -0.00006  -0.02774  -0.02791  -0.03579   2.87355
   D87       -2.27588  -0.00024  -0.03319  -0.06371  -0.05230  -2.32817
   D88        0.79683  -0.00001  -0.02864  -0.03117  -0.03791   0.75892
   D89        1.98480  -0.00043  -0.03480  -0.06770  -0.05511   1.92969
   D90       -1.22567  -0.00021  -0.03025  -0.03516  -0.04073  -1.26640
   D91        3.07008   0.00007   0.00897   0.01678   0.01425   3.08433
   D92       -0.04252   0.00020   0.00579   0.01678   0.01085  -0.03168
   D93       -0.01107  -0.00012   0.00516  -0.01189   0.00173  -0.00934
   D94       -3.12367   0.00002   0.00198  -0.01189  -0.00168  -3.12535
   D95       -3.07853  -0.00006  -0.00468  -0.01751  -0.01013  -3.08866
   D96        0.02663  -0.00004  -0.00490  -0.01419  -0.00923   0.01740
   D97        0.01153   0.00008  -0.00134   0.00676   0.00055   0.01208
   D98        3.11669   0.00010  -0.00156   0.01008   0.00146   3.11815
   D99        0.00662   0.00012  -0.00716   0.01282  -0.00342   0.00320
   D100      -2.87171   0.00047  -0.00635   0.01053  -0.00349  -2.87520
   D101       3.12160  -0.00001  -0.00396   0.01286  -0.00005   3.12155
   D102       0.24327   0.00035  -0.00316   0.01057  -0.00012   0.24315
   D103      -0.00798  -0.00001  -0.00310   0.00102  -0.00272  -0.01069
   D104       3.10195  -0.00012  -0.00272  -0.00149  -0.00307   3.09888
   D105      -3.11305  -0.00002  -0.00274  -0.00222  -0.00346  -3.11650
   D106      -0.00312  -0.00013  -0.00236  -0.00473  -0.00381  -0.00694
   D107       0.00092  -0.00007   0.00618  -0.00832   0.00371   0.00463
   D108       2.87643  -0.00011   0.00697  -0.00347   0.00600   2.88243
   D109      -3.10898   0.00006   0.00581  -0.00576   0.00410  -3.10488
   D110      -0.23347   0.00002   0.00660  -0.00091   0.00638  -0.22709
   D111      -0.65466  -0.00135  -0.01588   0.00219  -0.01483  -0.66949
   D112      -2.13075  -0.00020  -0.02234   0.00357  -0.02103  -2.15177
   D113       0.81227   0.00052  -0.00776   0.01862  -0.00174   0.81052
   D114       2.58466  -0.00012  -0.01294   0.01084  -0.00970   2.57496
   D115       2.41652  -0.00081  -0.03510   0.00008  -0.03515   2.38137
   D116       2.80089  -0.00105  -0.01673  -0.00216  -0.01711   2.78378
   D117       1.32480   0.00011  -0.02320  -0.00079  -0.02331   1.30149
   D118      -2.01538   0.00082  -0.00861   0.01427  -0.00402  -2.01940
   D119      -0.24298   0.00018  -0.01379   0.00648  -0.01198  -0.25496
   D120      -0.41112  -0.00051  -0.03595  -0.00427  -0.03743  -0.44855
   D121      -1.04318  -0.00013  -0.00933  -0.00729  -0.01144  -1.05462
   D122       3.12485  -0.00004  -0.00647  -0.01106  -0.00976   3.11509
   D123       1.09508   0.00003  -0.00683  -0.00861  -0.00939   1.08570
   D124       1.06728  -0.00016  -0.01080  -0.00745  -0.01297   1.05431
   D125      -1.04787  -0.00007  -0.00794  -0.01122  -0.01129  -1.05917
   D126      -3.07765   0.00000  -0.00830  -0.00877  -0.01092  -3.08856
   D127      -3.13194  -0.00007  -0.00911  -0.00492  -0.01062   3.14063
   D128       1.03610   0.00002  -0.00624  -0.00869  -0.00894   1.02715
   D129      -0.99368   0.00009  -0.00660  -0.00625  -0.00857  -1.00224
   D130      -0.06321   0.00045   0.06483   0.05446   0.08105   0.01784
   D131       3.11874   0.00064   0.07279   0.06663   0.09263  -3.07181
   D132       2.04217   0.00056   0.06526   0.06167   0.08375   2.12592
   D133      -1.05906   0.00075   0.07322   0.07383   0.09533  -0.96373
   D134      -2.19784   0.00050   0.06522   0.05886   0.08286  -2.11499
   D135       0.98411   0.00069   0.07318   0.07102   0.09443   1.07855
   D136      -3.09540   0.00028   0.01146  -0.01270   0.00754  -3.08787
   D137       0.05779  -0.00032   0.01175  -0.01034   0.00867   0.06645
   D138       0.01199   0.00011   0.00473  -0.02311  -0.00229   0.00970
   D139      -3.11801  -0.00049   0.00502  -0.02075  -0.00116  -3.11917
   D140       3.09588   0.00000  -0.02625   0.02450  -0.01875   3.07713
   D141      -0.02159  -0.00014  -0.00428  -0.00247  -0.00496  -0.02654
   D142      -0.01386   0.00015  -0.02000   0.03403  -0.00970  -0.02356
   D143      -3.13133   0.00001   0.00196   0.00705   0.00409  -3.12724
   D144      -0.00575  -0.00034   0.01262   0.00359   0.01372   0.00797
   D145      -3.09646  -0.00071  -0.00531  -0.01712  -0.01017  -3.10663
   D146       3.12536   0.00020   0.01234   0.00144   0.01268   3.13804
   D147       0.03466  -0.00017  -0.00560  -0.01927  -0.01121   0.02344
   D148       0.01092  -0.00036   0.02887  -0.03343   0.01886   0.02978
   D149      -3.12218   0.00002   0.03005  -0.01331   0.02607  -3.09611
   D150       3.12844  -0.00023   0.00694  -0.00650   0.00504   3.13348
   D151      -0.00465   0.00016   0.00812   0.01362   0.01225   0.00759
   D152      -0.00324   0.00042  -0.02532   0.01835  -0.01980  -0.02304
   D153       3.08165   0.00086  -0.00576   0.04147   0.00666   3.08831
   D154       3.12992   0.00004  -0.02648  -0.00162  -0.02692   3.10300
   D155      -0.06838   0.00048  -0.00691   0.02149  -0.00046  -0.06884
   D156      -1.24259   0.00011  -0.03140  -0.00845  -0.03430  -1.27690
   D157       0.40416   0.00028  -0.02482  -0.00143  -0.02553   0.37863
   D158      -2.05889   0.00014  -0.02339  -0.00450  -0.02500  -2.08389
   D159       1.90873   0.00032  -0.02418   0.00152  -0.02314   1.88559
   D160      -3.04382   0.00106  -0.01161   0.01118  -0.00838  -3.05220
   D161       1.96289  -0.00035  -0.05342  -0.03451  -0.06410   1.89879
   D162      -2.67354  -0.00018  -0.04683  -0.02749  -0.05533  -2.72887
   D163       1.14659  -0.00032  -0.04541  -0.03056  -0.05479   1.09180
   D164      -1.16897  -0.00014  -0.04619  -0.02454  -0.05293  -1.22190
   D165       0.16167   0.00061  -0.03363  -0.01489  -0.03818   0.12349
   D166       1.41452   0.00129   0.03789   0.05180   0.05361   1.46813
   D167      -1.79461   0.00140   0.05739   0.09381   0.08554  -1.70908
   D168      -0.24134   0.00085   0.03125   0.04357   0.04470  -0.19663
   D169       2.83272   0.00097   0.05075   0.08558   0.07663   2.90935
   D170       2.23101   0.00091   0.02955   0.04571   0.04346   2.27447
   D171      -0.97812   0.00102   0.04905   0.08771   0.07539  -0.90274
   D172      -1.76028   0.00087   0.03166   0.04132   0.04355  -1.71673
   D173       1.31377   0.00098   0.05116   0.08333   0.07548   1.38925
   D174      -3.07375   0.00014   0.01927   0.03150   0.02862  -3.04513
   D175       0.00031   0.00025   0.03877   0.07350   0.06054   0.06085
   D176       1.54204  -0.00021  -0.08207  -0.08911  -0.10886   1.43318
   D177      -2.90310  -0.00002  -0.01974  -0.01025  -0.02350  -2.92660
   D178       1.63824   0.00065  -0.01269  -0.00082  -0.01298   1.62526
   D179      -1.26578  -0.00015  -0.03095  -0.01695  -0.03612  -1.30190
   D180       0.18615  -0.00010  -0.02462  -0.01146  -0.02810   0.15806
   D181       1.80270   0.00095   0.02909   0.01776   0.03420   1.83691
   D182      -1.26712   0.00038   0.04843   0.01958   0.05440  -1.21272
   D183      -3.04684   0.00008   0.04017   0.02067   0.04605  -3.00079
   D184       0.35946  -0.00099   0.01802  -0.00125   0.01743   0.37689
   D185      -1.43978  -0.00030   0.02607   0.00883   0.02881  -1.41097
   D186      -3.08746   0.00005  -0.01964   0.02154  -0.01240  -3.09986
   D187       0.08353   0.00018  -0.02630   0.00614  -0.02502   0.05851
   D188       2.79107  -0.00022  -0.04082  -0.04892  -0.05474   2.73633
   D189      -0.41333  -0.00010  -0.02208  -0.00896  -0.02460  -0.43794
   D190       0.59366   0.00083   0.01390   0.01879   0.01910   0.61276
   D191      -2.56144   0.00049   0.01765   0.01296   0.02116  -2.54028
   D192       0.09397  -0.00075   0.00978  -0.00607   0.00783   0.10180
   D193      -3.09323  -0.00069   0.00407  -0.00396   0.00284  -3.09039
   D194      -3.03456  -0.00042   0.00616  -0.00045   0.00584  -3.02871
   D195       0.06143  -0.00037   0.00044   0.00166   0.00085   0.06228
   D196      -1.10039   0.00012  -0.00546  -0.00140  -0.00591  -1.10630
   D197       0.94660   0.00012  -0.00594  -0.00104  -0.00630   0.94030
   D198       3.07016   0.00019  -0.00121  -0.00100  -0.00155   3.06861
   D199       2.02856  -0.00021  -0.00203  -0.00692  -0.00406   2.02451
   D200      -2.20763  -0.00021  -0.00251  -0.00655  -0.00444  -2.21208
   D201      -0.08407  -0.00014   0.00223  -0.00651   0.00031  -0.08377
   D202      -1.25493  -0.00090  -0.02548  -0.02514  -0.03296  -1.28788
   D203       0.80106  -0.00034  -0.02274  -0.02298  -0.02958   0.77148
   D204       2.86407  -0.00024  -0.02339  -0.02147  -0.02975   2.83431
   D205       1.93226  -0.00096  -0.01986  -0.02727  -0.02809   1.90417
   D206      -2.29494  -0.00040  -0.01713  -0.02510  -0.02471  -2.31965
   D207      -0.23193  -0.00030  -0.01778  -0.02360  -0.02489  -0.25681
   D208       0.42436   0.00051   0.00632   0.01812   0.01181   0.43617
   D209      -2.79310   0.00040   0.03368   0.00343   0.03485  -2.75825
   D210      -1.66960   0.00025   0.00552   0.01819   0.01097  -1.65863
   D211       1.39613   0.00014   0.03288   0.00350   0.03401   1.43014
   D212       2.56293   0.00016   0.00859   0.01792   0.01392   2.57685
   D213      -0.65453   0.00005   0.03595   0.00323   0.03696  -0.61757
   D214       1.23474   0.00011  -0.01140  -0.01308  -0.01511   1.21963
   D215      -1.82409   0.00021  -0.04101   0.00274  -0.04016  -1.86425
   D216      -0.07752  -0.00033  -0.03661  -0.02092  -0.04285  -0.12037
   D217      -2.98456   0.00038   0.00084   0.02682   0.00907  -2.97549
   D218       2.98525  -0.00038  -0.00755  -0.03567  -0.01843   2.96682
   D219       0.07822   0.00033   0.02990   0.01207   0.03349   0.11170
   D220      -2.29100  -0.00033  -0.03164  -0.03838  -0.04306  -2.33406
   D221      -0.19788  -0.00035  -0.02878  -0.03886  -0.04034  -0.23822
   D222       1.88491  -0.00039  -0.03182  -0.03856  -0.04330   1.84161
   D223       1.08156   0.00029   0.00437   0.00811   0.00672   1.08827
   D224      -3.10850   0.00027   0.00723   0.00762   0.00943  -3.09907
   D225      -1.02571   0.00023   0.00419   0.00792   0.00647  -1.01924
         Item               Value     Threshold  Converged?
 Maximum Force            0.008528     0.000450     NO 
 RMS     Force            0.000725     0.000300     NO 
 Maximum Displacement     0.361122     0.001800     NO 
 RMS     Displacement     0.056793     0.001200     NO 
 Predicted change in Energy=-1.736996D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.058638    3.587816    2.548061
      2          6           0       -3.034438    2.805244    3.404614
      3          6           0       -1.816203    2.312404    2.658245
      4          6           0       -1.612350    1.508346    1.541149
      5          7           0       -0.522094    2.644904    3.089176
      6          6           0        0.393243    2.010963    2.282391
      7          7           0       -0.235685    1.309105    1.326552
      8          6           0       -5.293467    0.850603   -0.033802
      9          6           0       -5.897199   -0.335826   -0.823118
     10          6           0       -5.251931   -1.701139   -0.475978
     11          6           0       -3.747714   -1.672683   -0.690779
     12          8           0       -3.233511   -0.949952   -1.604484
     13          8           0       -2.993637   -2.360503    0.178580
     14          6           0       -2.340952    2.789790   -4.186711
     15          6           0       -0.929039    2.444503   -4.707196
     16          6           0       -0.093835    1.696168   -3.702058
     17          6           0       -0.235092    1.436548   -2.347031
     18          7           0        1.081035    1.018507   -4.075075
     19          6           0        1.591969    0.375760   -2.974370
     20          7           0        0.816605    0.613905   -1.909308
     21          6           0        4.681423    4.055432   -0.005576
     22          6           0        5.246163    2.967005    0.933911
     23          6           0        4.337519    1.770161    0.987977
     24          6           0        3.144583    1.520151    0.332785
     25          7           0        4.532517    0.648708    1.812905
     26          6           0        3.463966   -0.207218    1.658046
     27          7           0        2.619684    0.292628    0.751983
     28         30           0        0.864787   -0.481180   -0.038789
     29          1           0       -4.907511    3.898649    3.168790
     30          1           0       -4.446512    2.975563    1.728068
     31          1           0       -3.602306    4.485605    2.113285
     32          1           0       -3.541372    1.956073    3.883213
     33          1           0       -2.696748    3.456298    4.225285
     34          1           0       -2.342881    1.030210    0.908562
     35          1           0       -0.305139    3.237343    3.880213
     36          1           0        1.457822    2.081701    2.423541
     37          1           0       -4.252272    1.023614   -0.325780
     38          1           0       -5.338169    0.658894    1.049023
     39          1           0       -5.859166    1.771156   -0.229334
     40          1           0       -6.976436   -0.403762   -0.625808
     41          1           0       -5.772695   -0.147164   -1.896535
     42          1           0       -5.446734   -1.986519    0.564280
     43          1           0       -5.678988   -2.490955   -1.111329
     44          1           0       -2.885619    1.883267   -3.898906
     45          1           0       -2.912492    3.306366   -4.966599
     46          1           0       -2.295115    3.451580   -3.313264
     47          1           0       -1.021394    1.826846   -5.613430
     48          1           0       -0.415954    3.369067   -5.013128
     49          1           0       -1.013240    1.757040   -1.671149
     50          1           0        1.464401    0.985655   -5.011187
     51          1           0        2.466924   -0.251346   -2.976174
     52          1           0        4.574987    3.679925   -1.030076
     53          1           0        3.699655    4.404900    0.337355
     54          1           0        5.352826    4.920565   -0.034029
     55          1           0        5.364134    3.388255    1.944148
     56          1           0        6.251927    2.672763    0.600397
     57          1           0        2.637768    2.116943   -0.405151
     58          1           0        5.311668    0.509274    2.443825
     59          1           0        3.316949   -1.131066    2.192849
     60          8           0       -0.955604   -1.174300   -0.250224
     61          1           0       -1.465062   -0.743697   -0.984620
     62          1           0       -1.862410   -1.930268    0.056535
     63          6           0        2.462044   -3.203886   -0.998353
     64          8           0        2.040729   -2.012459   -1.125545
     65          7           0        1.750265   -4.174677   -0.362500
     66          6           0        0.383702   -3.999033    0.134320
     67          6           0        0.285322   -3.132980    1.402070
     68          8           0        1.177713   -2.266654    1.680873
     69          7           0       -0.834609   -3.323919    2.135887
     70          1           0       -0.214614   -3.480943   -0.626491
     71          1           0       -0.053392   -4.987955    0.307078
     72          1           0        2.174657   -5.088867   -0.263047
     73          1           0       -1.563874   -3.924201    1.760149
     74          6           0       -1.217459   -2.460953    3.263756
     75          1           0       -1.519255   -3.071991    4.121387
     76          1           0       -0.360893   -1.843110    3.538431
     77          1           0       -2.047138   -1.810637    2.964309
     78          6           0        3.805887   -3.607893   -1.578385
     79          1           0        3.767270   -3.500663   -2.668777
     80          1           0        4.580589   -2.929507   -1.206776
     81          1           0        4.087637   -4.638387   -1.340191
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0943483      0.0716899      0.0670967
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4892.8926783264 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33670 LenP2D=  121804.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.58D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999539   -0.029652    0.005433    0.003719 Ang=  -3.48 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.95701211     A.U. after   12 cycles
            NFock= 12  Conv=0.49D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33670 LenP2D=  121804.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000112719   -0.000344531    0.000487822
      3        6           0.000919774   -0.005211864    0.001217370
      4        6          -0.002176797    0.003767230   -0.001449597
      5        7          -0.000964733    0.003659850    0.001157832
      6        6           0.003308090   -0.001060462   -0.001805454
      7        7          -0.004238538   -0.000225199   -0.000294665
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000257935   -0.000225227   -0.000536109
     10        6           0.000042761    0.000409252   -0.000285990
     11        6           0.002330577   -0.000645956    0.002588637
     12        8           0.000367498   -0.000951451   -0.001397374
     13        8          -0.001069428    0.002189209   -0.001613229
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000498722    0.000180125    0.000624201
     16        6          -0.000523074   -0.000205115   -0.001315711
     17        6           0.000400813   -0.000122180    0.000377986
     18        7           0.000350035    0.000802224    0.000425810
     19        6           0.000802728   -0.000866571    0.000749617
     20        7          -0.000521859    0.001546293    0.001627385
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000079293    0.000218636    0.000146903
     23        6           0.000539486   -0.000312718   -0.000195065
     24        6          -0.000123277   -0.000714284   -0.002102103
     25        7           0.001428782    0.001460540    0.003326809
     26        6          -0.001800243    0.000178558   -0.001477012
     27        7          -0.000593861   -0.000679344    0.000058901
     28       30           0.005238967   -0.003416177    0.006585155
     29        1           0.000159479   -0.000137806    0.000049615
     30        1          -0.000212504    0.000393306   -0.000486722
     31        1           0.000167345    0.000103773    0.000045495
     32        1           0.000018469   -0.000011397   -0.000866861
     33        1           0.000145219    0.000604212   -0.000223701
     34        1          -0.000735523    0.000665744    0.001043912
     35        1           0.000188390    0.000524601    0.000154876
     36        1          -0.000210230   -0.000537784   -0.000574661
     37        1           0.000098298    0.000351267   -0.000598080
     38        1          -0.000617805   -0.000446577    0.000075483
     39        1           0.000024865   -0.000356239   -0.000369113
     40        1          -0.000066889   -0.000077505    0.000404911
     41        1          -0.000066614    0.000344477   -0.000035171
     42        1           0.000043041   -0.000029323    0.000180423
     43        1           0.000708079   -0.000292623    0.000046825
     44        1           0.000208880    0.000033053   -0.000213176
     45        1          -0.000009164    0.000433160    0.000120443
     46        1          -0.000334751   -0.000255259    0.000308404
     47        1           0.000605500   -0.000181444    0.000068296
     48        1          -0.000220125    0.000193689    0.000326027
     49        1          -0.000815890   -0.001152113   -0.001369651
     50        1          -0.000011350    0.000041723    0.000053540
     51        1          -0.000228023    0.000108707   -0.000314006
     52        1          -0.000137674   -0.000103240   -0.000205240
     53        1          -0.000246886    0.000100152   -0.000178583
     54        1          -0.000253475   -0.000019232   -0.000031227
     55        1          -0.000383203   -0.000032326   -0.000231177
     56        1           0.000135630   -0.000173834   -0.000438418
     57        1           0.000405773   -0.000099655    0.000600798
     58        1           0.000007015    0.000156727    0.000130834
     59        1          -0.000766461    0.000109972   -0.001060750
     60        8           0.001965630    0.004272163   -0.008056845
     61        1          -0.003376035   -0.001259254   -0.001834853
     62        1          -0.001965174   -0.003906393    0.006644105
     63        6          -0.001166333   -0.000904163    0.002345925
     64        8           0.000228460    0.001308127   -0.002405640
     65        7           0.000073318    0.001028958   -0.000816067
     66        6           0.001591705   -0.001160344   -0.000822628
     67        6          -0.002378662    0.001892843    0.001706464
     68        8           0.002050903   -0.000538442   -0.001116085
     69        7          -0.000346965    0.000448000    0.000580923
     70        1          -0.000063230   -0.000211299   -0.000065069
     71        1           0.000048879   -0.000474674   -0.000220148
     72        1          -0.000240971   -0.000081908    0.000353177
     73        1           0.000377916   -0.000434862   -0.000009664
     74        6           0.000570447   -0.000755080    0.000172613
     75        1          -0.000015885   -0.000077555   -0.000137475
     76        1          -0.000401818    0.000110417   -0.000155517
     77        1           0.000202927    0.000259198    0.000141209
     78        6           0.000332703    0.000153322   -0.000232666
     79        1          -0.000252836   -0.000005272   -0.000019327
     80        1           0.000089815    0.000049521    0.000114935
     81        1          -0.000072089    0.000005882    0.000070236
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008056845 RMS     0.001390416

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003986157 RMS     0.000629649
 Search for a local minimum.
 Step number  13 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   12   13
 DE= -1.83D-03 DEPred=-1.74D-03 R= 1.06D+00
 TightC=F SS=  1.41D+00  RLast= 5.66D-01 DXNew= 5.0454D+00 1.6995D+00
 Trust test= 1.06D+00 RLast= 5.66D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00059   0.00226   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00375   0.00415   0.00454   0.00475   0.00528
     Eigenvalues ---    0.00640   0.00695   0.00736   0.00745   0.00758
     Eigenvalues ---    0.00808   0.00850   0.00950   0.00995   0.01226
     Eigenvalues ---    0.01273   0.01323   0.01348   0.01374   0.01441
     Eigenvalues ---    0.01470   0.01489   0.01628   0.01644   0.01754
     Eigenvalues ---    0.01759   0.01834   0.01853   0.01859   0.01919
     Eigenvalues ---    0.01939   0.01959   0.02007   0.02110   0.02175
     Eigenvalues ---    0.02236   0.02255   0.02279   0.02304   0.02334
     Eigenvalues ---    0.02552   0.02844   0.03067   0.03273   0.03664
     Eigenvalues ---    0.03902   0.04022   0.04081   0.04344   0.04414
     Eigenvalues ---    0.04730   0.05035   0.05111   0.05322   0.05363
     Eigenvalues ---    0.05376   0.05385   0.05396   0.05404   0.05458
     Eigenvalues ---    0.05501   0.05507   0.05535   0.05539   0.05645
     Eigenvalues ---    0.05711   0.06243   0.06692   0.06880   0.06916
     Eigenvalues ---    0.07427   0.07478   0.07516   0.07630   0.08198
     Eigenvalues ---    0.08396   0.08485   0.09148   0.09251   0.09466
     Eigenvalues ---    0.09627   0.09809   0.10138   0.10729   0.11162
     Eigenvalues ---    0.11613   0.12288   0.12726   0.12853   0.13034
     Eigenvalues ---    0.13147   0.13306   0.14565   0.15566   0.15744
     Eigenvalues ---    0.15941   0.15982   0.15982   0.15987   0.15990
     Eigenvalues ---    0.15992   0.15995   0.15997   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16002
     Eigenvalues ---    0.16005   0.16009   0.16012   0.16033   0.16071
     Eigenvalues ---    0.16098   0.16378   0.16422   0.17097   0.17987
     Eigenvalues ---    0.18487   0.19051   0.19689   0.20454   0.21354
     Eigenvalues ---    0.21537   0.21885   0.22087   0.22181   0.22465
     Eigenvalues ---    0.22627   0.22826   0.23099   0.23468   0.23635
     Eigenvalues ---    0.24219   0.24317   0.24579   0.24804   0.24963
     Eigenvalues ---    0.25010   0.25451   0.26420   0.27153   0.27473
     Eigenvalues ---    0.27816   0.28153   0.28205   0.28417   0.30222
     Eigenvalues ---    0.30490   0.30690   0.31364   0.31557   0.31740
     Eigenvalues ---    0.33603   0.33611   0.33628   0.33652   0.33664
     Eigenvalues ---    0.33717   0.33795   0.33818   0.33857   0.33894
     Eigenvalues ---    0.33928   0.33933   0.33948   0.33984   0.33989
     Eigenvalues ---    0.33992   0.34034   0.34049   0.34075   0.34084
     Eigenvalues ---    0.34096   0.34131   0.34174   0.34178   0.34184
     Eigenvalues ---    0.34238   0.34250   0.34264   0.34303   0.34614
     Eigenvalues ---    0.35664   0.35681   0.35767   0.36046   0.36237
     Eigenvalues ---    0.36331   0.36410   0.36845   0.38853   0.39188
     Eigenvalues ---    0.39375   0.42275   0.42396   0.42548   0.45091
     Eigenvalues ---    0.45248   0.45319   0.45464   0.45540   0.45583
     Eigenvalues ---    0.45596   0.45641   0.45783   0.49017   0.49096
     Eigenvalues ---    0.49361   0.49572   0.49898   0.52335   0.54377
     Eigenvalues ---    0.54863   0.54968   0.56145   0.69029   0.73129
     Eigenvalues ---    0.763101000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    13   12
 RFO step:  Lambda=-6.28885311D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.33038   -0.33038
 Iteration  1 RMS(Cart)=  0.16863690 RMS(Int)=  0.05058889
 Iteration  2 RMS(Cart)=  0.06685192 RMS(Int)=  0.02438152
 Iteration  3 RMS(Cart)=  0.02911429 RMS(Int)=  0.00927223
 Iteration  4 RMS(Cart)=  0.01225620 RMS(Int)=  0.00404744
 Iteration  5 RMS(Cart)=  0.00212778 RMS(Int)=  0.00403836
 Iteration  6 RMS(Cart)=  0.00002954 RMS(Int)=  0.00403828
 Iteration  7 RMS(Cart)=  0.00000183 RMS(Int)=  0.00403828
 Iteration  8 RMS(Cart)=  0.00000003 RMS(Int)=  0.00403828
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48451  -0.00015   0.00000   0.00000   0.00000   8.48451
    Y1       -0.92762   0.00033   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47501  -0.00069   0.00000   0.00000   0.00000   7.47501
    X8       10.19805  -0.00049   0.00000   0.00000   0.00000  10.19805
    Y8        1.20623  -0.00114   0.00000   0.00000   0.00000   1.20623
    Z8        0.50967  -0.00025   0.00000   0.00000   0.00000   0.50967
   X14        7.21039  -0.00006   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00030   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00089   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13879  -0.00052   0.00000   0.00000   0.00000  -6.13879
   Y21       -9.38867  -0.00008   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09467  -0.00040   0.00000   0.00000   0.00000   4.09467
    R1        2.92455   0.00016   0.00075   0.00089   0.00552   2.93007
    R2        2.07225   0.00010  -0.00003   0.00035   0.00085   2.07310
    R3        2.06810   0.00044  -0.00089  -0.00182   0.00091   2.06900
    R4        2.07293  -0.00011   0.00058   0.00110  -0.00450   2.06843
    R5        2.85596   0.00014  -0.00040  -0.00185  -0.00250   2.85346
    R6        2.07623   0.00006  -0.00072  -0.00184  -0.00255   2.07368
    R7        2.07991  -0.00035   0.00019  -0.00024  -0.00005   2.07985
    R8        2.62935   0.00061  -0.00087   0.00115   0.00680   2.63615
    R9        2.65301  -0.00071   0.00168  -0.00024  -0.00337   2.64964
   R10        2.65972  -0.00121  -0.00067   0.00061   0.00410   2.66383
   R11        2.03745  -0.00107   0.00073  -0.00033   0.00040   2.03785
   R12        2.59837   0.00117   0.00028  -0.00316  -0.00861   2.58977
   R13        1.91207   0.00006   0.00003   0.00014   0.00017   1.91225
   R14        2.53659  -0.00173  -0.00082  -0.00017  -0.00015   2.53645
   R15        2.03377   0.00027   0.00073  -0.00021   0.00052   2.03429
   R16        4.73576  -0.00279  -0.00904  -0.13377  -0.14000   4.59576
   R17        2.92458  -0.00085   0.00001  -0.00205  -0.01655   2.90802
   R18        2.06946  -0.00020   0.00038   0.00189   0.00410   2.07356
   R19        2.07978  -0.00014  -0.00011  -0.00014  -0.00028   2.07950
   R20        2.07497   0.00011   0.00001   0.00006   0.00617   2.08114
   R21        2.92813  -0.00101   0.00031   0.00023  -0.00578   2.92236
   R22        2.07724  -0.00005   0.00052   0.00010   0.00062   2.07785
   R23        2.07295  -0.00022  -0.00020  -0.00068  -0.00088   2.07208
   R24        2.87190   0.00060  -0.00057   0.00094   0.00151   2.87341
   R25        2.07141   0.00009  -0.00007  -0.00075  -0.00082   2.07059
   R26        2.07858   0.00005   0.00007  -0.00017  -0.00011   2.07847
   R27        2.40642   0.00172  -0.00338  -0.00203  -0.00195   2.40447
   R28        2.53358   0.00202   0.00611   0.00644   0.00766   2.54124
   R29        3.56262   0.00136   0.00718   0.00708   0.02078   3.58339
   R30        2.29870   0.00132   0.00355   0.02689   0.02738   2.32608
   R31        2.91755  -0.00036   0.00085   0.00090   0.00574   2.92328
   R32        2.07119   0.00013  -0.00059  -0.00129   0.00032   2.07152
   R33        2.07159  -0.00030   0.00071   0.00040  -0.00125   2.07034
   R34        2.07266   0.00033  -0.00044   0.00055  -0.00189   2.07077
   R35        2.84583   0.00047  -0.00060   0.00192   0.00382   2.84964
   R36        2.07981  -0.00003  -0.00029  -0.00030  -0.00060   2.07921
   R37        2.08013  -0.00006  -0.00022  -0.00004  -0.00026   2.07987
   R38        2.62084  -0.00021   0.00009   0.00228   0.00096   2.62179
   R39        2.65820  -0.00077  -0.00068  -0.00009   0.00058   2.65878
   R40        2.65532   0.00044  -0.00078   0.00017   0.00047   2.65580
   R41        2.03972  -0.00185   0.00235   0.00185   0.00420   2.04392
   R42        2.59501  -0.00001   0.00090   0.00079   0.00392   2.59893
   R43        1.91260  -0.00006   0.00005   0.00008   0.00013   1.91273
   R44        2.52988  -0.00003   0.00009  -0.00017   0.00006   2.52994
   R45        2.03426   0.00034  -0.00036  -0.00045  -0.00081   2.03344
   R46        4.09699  -0.00038   0.00634   0.02446   0.03223   4.12922
   R47        2.91915  -0.00012   0.00065  -0.00029  -0.00331   2.91584
   R48        2.07176   0.00020  -0.00004   0.00018   0.00103   2.07279
   R49        2.07319  -0.00027   0.00034   0.00032   0.00108   2.07427
   R50        2.07013   0.00010  -0.00022  -0.00014   0.00032   2.07045
   R51        2.84151  -0.00019   0.00093   0.00070   0.00093   2.84243
   R52        2.08037  -0.00017  -0.00004   0.00040   0.00035   2.08073
   R53        2.07816   0.00010  -0.00006  -0.00031  -0.00038   2.07778
   R54        2.61499   0.00017  -0.00065   0.00004   0.00121   2.61620
   R55        2.65652   0.00090   0.00006  -0.00002  -0.00125   2.65527
   R56        2.64431  -0.00007   0.00094   0.00202   0.00352   2.64782
   R57        2.03317   0.00020  -0.00058  -0.00028  -0.00086   2.03231
   R58        2.60370  -0.00053  -0.00027   0.00017  -0.00178   2.60192
   R59        1.91281   0.00008  -0.00010  -0.00015  -0.00025   1.91256
   R60        2.52376   0.00108  -0.00033  -0.00138  -0.00154   2.52222
   R61        2.03628   0.00033  -0.00004   0.00024   0.00020   2.03648
   R62        3.92033   0.00019  -0.00151   0.01005   0.00902   3.92935
   R63        3.70258   0.00051  -0.00775  -0.00930  -0.01296   3.68962
   R64        4.18680   0.00078   0.01762   0.01339   0.03328   4.22007
   R65        4.72170  -0.00103   0.01343   0.07933   0.09525   4.81695
   R66        1.87484  -0.00030  -0.00105   0.00148   0.00324   1.87807
   R67        2.30507  -0.00399  -0.00494  -0.02584  -0.03150   2.27357
   R68        2.40016  -0.00052   0.00088   0.00170   0.00221   2.40237
   R69        2.57265   0.00068   0.00107  -0.00045  -0.00311   2.56954
   R70        2.86938  -0.00011  -0.00111  -0.00067  -0.00178   2.86760
   R71        2.76777   0.00036   0.00008  -0.00004  -0.00355   2.76422
   R72        1.91390  -0.00005   0.00008   0.00009   0.00018   1.91407
   R73        2.90730   0.00123  -0.00077  -0.00025  -0.00309   2.90421
   R74        2.07460   0.00009   0.00007   0.00044   0.00051   2.07511
   R75        2.06911  -0.00034   0.00011   0.00006   0.00016   2.06927
   R76        2.40865  -0.00112   0.00005   0.00079   0.00286   2.41151
   R77        2.55581   0.00017   0.00109   0.00190   0.00299   2.55880
   R78        1.92097   0.00002   0.00036   0.00149   0.00185   1.92282
   R79        2.77949   0.00010   0.00178   0.00193   0.00371   2.78319
   R80        2.07007  -0.00012  -0.00050  -0.00124  -0.00174   2.06833
   R81        2.06221   0.00011  -0.00008   0.00005  -0.00003   2.06218
   R82        2.07091   0.00010   0.00000   0.00033   0.00034   2.07124
   R83        2.07177  -0.00004   0.00036   0.00070   0.00106   2.07283
   R84        2.06877   0.00000  -0.00037  -0.00070  -0.00107   2.06770
   R85        2.06840   0.00002   0.00002  -0.00008  -0.00006   2.06834
    A1        1.92020   0.00033  -0.00085   0.00027  -0.00210   1.91810
    A2        1.94589  -0.00079   0.00118   0.00008  -0.00202   1.94387
    A3        1.93683   0.00029  -0.00091  -0.00050   0.00073   1.93757
    A4        1.88425   0.00017   0.00058   0.00232   0.00016   1.88441
    A5        1.89061  -0.00023  -0.00001  -0.00107   0.00270   1.89332
    A6        1.88424   0.00024   0.00005  -0.00107   0.00068   1.88493
    A7        2.00979   0.00040   0.00051  -0.00299  -0.00526   2.00452
    A8        1.90347  -0.00012  -0.00082   0.00477   0.00920   1.91266
    A9        1.89296  -0.00002   0.00068  -0.00238  -0.00529   1.88767
   A10        1.91241  -0.00058   0.00014   0.00339   0.00418   1.91659
   A11        1.89001   0.00019  -0.00056  -0.00210  -0.00190   1.88811
   A12        1.84829   0.00012   0.00002  -0.00067  -0.00092   1.84737
   A13        2.35047  -0.00129   0.00137   0.00257   0.01348   2.36395
   A14        2.11088   0.00145  -0.00108  -0.00271  -0.01444   2.09645
   A15        1.82167  -0.00018  -0.00021   0.00035   0.00111   1.82278
   A16        1.92572   0.00064  -0.00124  -0.00142  -0.00486   1.92086
   A17        2.24985  -0.00065   0.00542   0.01389   0.02019   2.27005
   A18        2.10656   0.00001  -0.00416  -0.01246  -0.01524   2.09133
   A19        1.90111  -0.00096   0.00075   0.00086   0.00170   1.90280
   A20        2.18498   0.00014  -0.00119  -0.00089  -0.00210   2.18288
   A21        2.19682   0.00084   0.00034   0.00002   0.00035   2.19717
   A22        1.92515   0.00106  -0.00240   0.00037   0.00309   1.92824
   A23        2.15464   0.00008   0.00158  -0.00081  -0.00175   2.15289
   A24        2.20338  -0.00115   0.00082   0.00042  -0.00134   2.20204
   A25        1.85011  -0.00049   0.00282   0.00054  -0.00058   1.84953
   A26        2.23155  -0.00163  -0.01263  -0.06863  -0.06587   2.16568
   A27        2.16005   0.00199   0.01052   0.11636   0.10115   2.26120
   A28        1.93481  -0.00123   0.00521   0.00642   0.01538   1.95020
   A29        1.93094   0.00105  -0.00408  -0.00367  -0.00309   1.92785
   A30        1.92933  -0.00019  -0.00121  -0.00017  -0.00009   1.92925
   A31        1.90546  -0.00009   0.00326   0.00470   0.00677   1.91223
   A32        1.88589   0.00038  -0.00150  -0.00676  -0.01344   1.87245
   A33        1.87582   0.00010  -0.00173  -0.00075  -0.00649   1.86933
   A34        1.98098  -0.00061   0.00015  -0.00476  -0.01359   1.96738
   A35        1.91648   0.00024  -0.00214  -0.00176  -0.00161   1.91487
   A36        1.89964   0.00006   0.00102   0.00294   0.00751   1.90716
   A37        1.89040   0.00036   0.00085   0.00357   0.00675   1.89715
   A38        1.90022   0.00000  -0.00058  -0.00314  -0.00144   1.89879
   A39        1.87309  -0.00003   0.00073   0.00358   0.00316   1.87625
   A40        1.94338  -0.00100  -0.00144  -0.00804  -0.00562   1.93776
   A41        1.94766   0.00055   0.00048   0.00035  -0.00012   1.94754
   A42        1.91943  -0.00064   0.00125  -0.00196  -0.00182   1.91761
   A43        1.89116  -0.00014   0.00137   0.00358   0.00404   1.89520
   A44        1.89241   0.00126  -0.00151   0.00225  -0.00086   1.89155
   A45        1.86736   0.00004  -0.00016   0.00444   0.00479   1.87215
   A46        2.10797   0.00086   0.00003   0.00311   0.01010   2.11808
   A47        2.04367  -0.00011  -0.00062  -0.00087  -0.00493   2.03874
   A48        2.12859  -0.00073   0.00033  -0.00212  -0.00515   2.12344
   A49        1.77721  -0.00038  -0.00032   0.01521   0.01921   1.79642
   A50        1.85099   0.00009  -0.00284  -0.00944  -0.01684   1.83415
   A51        1.93693   0.00012   0.00031   0.00004  -0.00215   1.93478
   A52        1.92021   0.00046  -0.00084  -0.00004  -0.00087   1.91933
   A53        1.94464  -0.00062  -0.00009  -0.00014  -0.00042   1.94422
   A54        1.89386  -0.00032   0.00167   0.00730   0.00907   1.90293
   A55        1.88673   0.00029  -0.00032  -0.00171  -0.00216   1.88457
   A56        1.87969   0.00007  -0.00070  -0.00542  -0.00325   1.87644
   A57        1.97503   0.00010  -0.00340   0.00184   0.00285   1.97788
   A58        1.90325  -0.00058   0.00252   0.00308   0.00610   1.90935
   A59        1.90935   0.00020  -0.00066  -0.00431  -0.00823   1.90111
   A60        1.89362   0.00056  -0.00038  -0.00343  -0.00498   1.88864
   A61        1.92236  -0.00039   0.00220   0.00350   0.00455   1.92691
   A62        1.85630   0.00012  -0.00005  -0.00081  -0.00036   1.85594
   A63        2.33042  -0.00105  -0.00031   0.01177   0.01034   2.34076
   A64        2.12424   0.00150  -0.00061  -0.00961  -0.00768   2.11655
   A65        1.82758  -0.00044   0.00111  -0.00134  -0.00191   1.82567
   A66        1.91529   0.00085  -0.00122  -0.00038   0.00091   1.91620
   A67        2.25189  -0.00110   0.00293   0.01296   0.01458   2.26647
   A68        2.11573   0.00024  -0.00168  -0.01224  -0.01523   2.10050
   A69        1.90043   0.00021  -0.00033   0.00190   0.00231   1.90273
   A70        2.18618  -0.00008  -0.00091  -0.00339  -0.00469   2.18149
   A71        2.19597  -0.00012   0.00125   0.00116   0.00208   2.19806
   A72        1.91658   0.00052  -0.00096  -0.00168  -0.00307   1.91351
   A73        2.18186  -0.00039   0.00027   0.00568   0.00618   2.18805
   A74        2.18426  -0.00014   0.00068  -0.00405  -0.00317   2.18109
   A75        1.86482  -0.00114   0.00140   0.00142   0.00168   1.86650
   A76        2.19090   0.00122   0.00123  -0.00182  -0.00526   2.18564
   A77        2.19403  -0.00009  -0.00251  -0.01593  -0.01435   2.17968
   A78        1.94174  -0.00005   0.00021   0.00111   0.00202   1.94376
   A79        1.94067  -0.00008  -0.00042   0.00020   0.00075   1.94142
   A80        1.92643  -0.00024   0.00098   0.00062   0.00242   1.92884
   A81        1.89055   0.00011  -0.00028  -0.00103  -0.00218   1.88836
   A82        1.88150   0.00005  -0.00084  -0.00354  -0.00541   1.87609
   A83        1.88076   0.00023   0.00032   0.00254   0.00213   1.88289
   A84        1.94097   0.00022   0.00076   0.00050   0.00115   1.94212
   A85        1.90463   0.00005   0.00106   0.00122   0.00209   1.90672
   A86        1.91605  -0.00020  -0.00135  -0.00136  -0.00247   1.91358
   A87        1.91381   0.00003  -0.00139  -0.00462  -0.00597   1.90784
   A88        1.92901  -0.00015   0.00086   0.00472   0.00561   1.93461
   A89        1.85738   0.00005   0.00002  -0.00056  -0.00054   1.85684
   A90        2.27539   0.00003   0.00066  -0.00015   0.00247   2.27786
   A91        2.18004  -0.00053  -0.00034  -0.00101  -0.00422   2.17582
   A92        1.82688   0.00049  -0.00043   0.00014   0.00023   1.82711
   A93        1.91774  -0.00068   0.00086  -0.00010  -0.00029   1.91745
   A94        2.25315   0.00022  -0.00088  -0.00047  -0.00084   2.25231
   A95        2.11223   0.00046   0.00001   0.00050   0.00103   2.11325
   A96        1.89868  -0.00008  -0.00009  -0.00050  -0.00075   1.89794
   A97        2.19251   0.00018  -0.00037   0.00062   0.00029   2.19280
   A98        2.19131  -0.00006   0.00033  -0.00028   0.00009   2.19140
   A99        1.91137  -0.00033   0.00081   0.00128   0.00322   1.91458
   A100       2.19276   0.00002   0.00010   0.00055  -0.00004   2.19272
   A101       2.17894   0.00030  -0.00094  -0.00216  -0.00381   2.17514
   A102       1.86965   0.00064  -0.00126  -0.00080  -0.00263   1.86703
   A103       2.12979  -0.00004  -0.00033   0.00189   0.00717   2.13696
   A104       2.28335  -0.00060   0.00192   0.00039  -0.00470   2.27865
   A105       1.67042   0.00078   0.00220   0.03884   0.04106   1.71148
   A106       1.46794  -0.00115   0.00197   0.00486   0.00642   1.47436
   A107       1.47417   0.00156   0.00456   0.04680   0.05401   1.52817
   A108       3.03251  -0.00145  -0.00271  -0.02597  -0.03504   2.99747
   A109       1.76248  -0.00106  -0.00769  -0.05914  -0.07291   1.68957
   A110       1.73074  -0.00031  -0.00373  -0.02294  -0.02942   1.70132
   A111       1.63577  -0.00026  -0.00451  -0.03214  -0.03698   1.59879
   A112       1.50845  -0.00028   0.00143   0.01760   0.02856   1.53701
   A113       2.84908   0.00029   0.00535   0.02296   0.03305   2.88213
   A114       2.85432   0.00076   0.01038   0.07724   0.08943   2.94374
   A115       1.56658  -0.00027  -0.00416  -0.02019  -0.00873   1.55785
   A116       1.46887   0.00039   0.00378  -0.01266  -0.00230   1.46658
   A117       1.76777  -0.00022  -0.00294  -0.04146  -0.05997   1.70780
   A118       1.50860  -0.00006   0.00084   0.04484   0.04361   1.55221
   A119       1.34615   0.00061   0.00428  -0.00013   0.00037   1.34652
   A120       1.98606  -0.00013   0.01103   0.11258   0.13532   2.12139
   A121       2.65259  -0.00155  -0.01306  -0.12946  -0.15464   2.49794
   A122       1.64426   0.00168   0.00225   0.01942   0.01483   1.65909
   A123       2.31528  -0.00097  -0.00341  -0.02709  -0.03603   2.27924
   A124       2.78126   0.00009   0.00144   0.00373   0.02393   2.80520
   A125       2.14391  -0.00011  -0.00228  -0.00072  -0.00268   2.14123
   A126       2.10008   0.00033   0.00110  -0.00063   0.00033   2.10041
   A127       2.03914  -0.00023   0.00118   0.00134   0.00235   2.04149
   A128       2.45794  -0.00148  -0.00323   0.00174   0.00496   2.46290
   A129       2.16607  -0.00013  -0.00188   0.00245  -0.00212   2.16396
   A130       2.06059  -0.00011   0.00171  -0.00084   0.00227   2.06286
   A131       2.05546   0.00024   0.00010  -0.00234  -0.00111   2.05435
   A132       1.98962  -0.00092   0.00228   0.00440   0.00670   1.99632
   A133       1.90712   0.00018  -0.00100   0.00052   0.00019   1.90731
   A134       1.89407   0.00007   0.00068  -0.00126  -0.00129   1.89279
   A135       1.84476   0.00080   0.00029   0.00491   0.00391   1.84867
   A136       1.93145   0.00006  -0.00244  -0.00966  -0.01084   1.92061
   A137       1.89443  -0.00014   0.00010   0.00125   0.00138   1.89581
   A138       2.11541  -0.00004   0.00379   0.00871   0.01795   2.13336
   A139       2.00487   0.00108  -0.00242  -0.00511  -0.01035   1.99452
   A140       2.16160  -0.00107  -0.00090  -0.00317  -0.00693   2.15467
   A141       1.82086  -0.00089  -0.00375  -0.04538  -0.04684   1.77401
   A142       2.06789   0.00020  -0.00041   0.00098  -0.00015   2.06774
   A143       2.15168  -0.00047   0.00021  -0.00207  -0.00250   2.14918
   A144       2.02993   0.00018  -0.00344  -0.00948  -0.01353   2.01640
   A145       1.92281  -0.00024  -0.00096  -0.00598  -0.00694   1.91587
   A146       1.89745  -0.00044   0.00069   0.00299   0.00368   1.90113
   A147       1.91315   0.00043  -0.00199   0.00079  -0.00121   1.91193
   A148       1.91240   0.00010   0.00085   0.00142   0.00227   1.91467
   A149       1.91385  -0.00013   0.00159  -0.00015   0.00143   1.91527
   A150       1.90399   0.00028  -0.00018   0.00102   0.00084   1.90483
   A151       1.89941   0.00044  -0.00118  -0.00100  -0.00218   1.89723
   A152       1.90895  -0.00032   0.00111   0.00108   0.00219   1.91115
   A153       1.97707   0.00000  -0.00027  -0.00040  -0.00067   1.97640
   A154       1.87751  -0.00004  -0.00007   0.00078   0.00072   1.87823
   A155       1.89398  -0.00011  -0.00034  -0.00135  -0.00170   1.89228
   A156       1.90433   0.00002   0.00074   0.00092   0.00166   1.90599
    D1        3.13529  -0.00041  -0.00045  -0.00606  -0.00814   3.12715
    D2        0.97757   0.00017  -0.00036  -0.01216  -0.01715   0.96042
    D3       -1.02765   0.00009  -0.00032  -0.01262  -0.01805  -1.04570
    D4        1.04533  -0.00034  -0.00137  -0.00920  -0.00567   1.03966
    D5       -1.11240   0.00024  -0.00128  -0.01529  -0.01468  -1.12707
    D6       -3.11761   0.00017  -0.00124  -0.01575  -0.01558  -3.13319
    D7       -1.05580  -0.00030  -0.00161  -0.00755  -0.00567  -1.06146
    D8        3.06967   0.00028  -0.00152  -0.01365  -0.01468   3.05499
    D9        1.06446   0.00020  -0.00148  -0.01410  -0.01558   1.04887
   D10       -0.98852  -0.00061  -0.02305  -0.21936  -0.24941  -1.23793
   D11        2.17588   0.00056  -0.02722  -0.23387  -0.26853   1.90735
   D12        1.16446  -0.00093  -0.02365  -0.21253  -0.23774   0.92672
   D13       -1.95432   0.00023  -0.02782  -0.22704  -0.25687  -2.21119
   D14       -3.11037  -0.00100  -0.02385  -0.21267  -0.23765   2.93516
   D15        0.05403   0.00017  -0.02803  -0.22717  -0.25678  -0.20274
   D16       -3.08053  -0.00026   0.00410  -0.02617  -0.02778  -3.10831
   D17        0.01145   0.00004   0.00441  -0.02639  -0.02595  -0.01451
   D18        0.04087  -0.00127   0.00777  -0.01336  -0.01088   0.02999
   D19        3.13284  -0.00097   0.00808  -0.01358  -0.00905   3.12380
   D20        3.08388   0.00071  -0.00565   0.02539   0.02490   3.10878
   D21       -0.03360  -0.00017   0.00098   0.02584   0.02698  -0.00662
   D22       -0.04097   0.00158  -0.00876   0.01470   0.01082  -0.03014
   D23        3.12474   0.00070  -0.00212   0.01515   0.01291   3.13765
   D24       -0.02571   0.00055  -0.00396   0.00703   0.00685  -0.01886
   D25        2.81547   0.00048   0.00114   0.20096   0.19286   3.00834
   D26       -3.12240   0.00031  -0.00456   0.00639   0.00410  -3.11830
   D27       -0.28122   0.00023   0.00055   0.20033   0.19012  -0.09110
   D28        0.02712  -0.00129   0.00677  -0.01116  -0.00717   0.01995
   D29       -3.11003  -0.00064   0.00597  -0.00605  -0.00731  -3.11733
   D30       -3.13879  -0.00042   0.00008  -0.01163  -0.00932   3.13508
   D31        0.00725   0.00024  -0.00072  -0.00652  -0.00946  -0.00221
   D32       -0.00114   0.00045  -0.00176   0.00261   0.00034  -0.00080
   D33       -2.85787   0.00129  -0.00148  -0.14230  -0.16159  -3.01946
   D34        3.13586  -0.00022  -0.00093  -0.00267   0.00048   3.13634
   D35        0.27913   0.00062  -0.00065  -0.14759  -0.16145   0.11768
   D36        1.54186   0.00085  -0.01087   0.20127   0.18752   1.72938
   D37       -3.01936   0.00037  -0.01467   0.17508   0.15500  -2.86436
   D38       -0.08484   0.00104  -0.00651   0.23283   0.22117   0.13633
   D39       -2.82625   0.00083   0.01716   0.66389   0.67376  -2.15249
   D40       -1.57311   0.00067  -0.00930   0.17068   0.16248  -1.41063
   D41       -1.94893   0.00023  -0.00714   0.40096   0.39390  -1.55503
   D42       -0.22697  -0.00026  -0.01094   0.37476   0.36138   0.13441
   D43        2.70756   0.00041  -0.00278   0.43251   0.42755   3.13510
   D44       -0.03385   0.00020   0.02089   0.86358   0.88014   0.84628
   D45        1.21928   0.00004  -0.00558   0.37037   0.36886   1.58814
   D46        1.16413  -0.00012  -0.02122  -0.06326  -0.08167   1.08245
   D47       -3.00052   0.00010  -0.02158  -0.06321  -0.08343  -3.08395
   D48       -0.95483   0.00024  -0.02132  -0.05819  -0.07616  -1.03099
   D49       -0.95241   0.00011  -0.02612  -0.07104  -0.09864  -1.05105
   D50        1.16613   0.00034  -0.02648  -0.07099  -0.10039   1.06573
   D51       -3.07137   0.00048  -0.02621  -0.06597  -0.09312   3.11869
   D52       -3.02821  -0.00056  -0.02051  -0.06766  -0.08858  -3.11679
   D53       -0.90967  -0.00034  -0.02087  -0.06761  -0.09033  -1.00000
   D54        1.13602  -0.00020  -0.02060  -0.06260  -0.08306   1.05296
   D55       -0.98313   0.00083  -0.01686   0.00292  -0.01526  -0.99839
   D56        1.13254   0.00035  -0.01577   0.00212  -0.01409   1.11845
   D57       -3.08118   0.00033  -0.01486   0.00661  -0.00938  -3.09056
   D58       -3.11620   0.00067  -0.01485   0.00575  -0.00902  -3.12522
   D59       -1.00053   0.00018  -0.01376   0.00495  -0.00785  -1.00838
   D60        1.06893   0.00017  -0.01284   0.00944  -0.00314   1.06580
   D61        1.13550   0.00050  -0.01587   0.00125  -0.01569   1.11981
   D62       -3.03201   0.00002  -0.01478   0.00045  -0.01452  -3.04653
   D63       -0.96255   0.00000  -0.01386   0.00494  -0.00981  -0.97235
   D64       -0.55772   0.00034  -0.01117  -0.11353  -0.12568  -0.68339
   D65        2.50292   0.00060  -0.01501  -0.11201  -0.12549   2.37743
   D66       -2.70606   0.00039  -0.01178  -0.11118  -0.12461  -2.83067
   D67        0.35458   0.00065  -0.01562  -0.10966  -0.12443   0.23015
   D68        1.55620  -0.00026  -0.01152  -0.11950  -0.13197   1.42423
   D69       -1.66634   0.00001  -0.01537  -0.11798  -0.13179  -1.79814
   D70        2.75595  -0.00031  -0.01033   0.01131   0.01079   2.76674
   D71       -0.30069  -0.00062  -0.00626   0.00964   0.01054  -0.29015
   D72       -2.83372   0.00059   0.00484  -0.01672  -0.02274  -2.85646
   D73        0.22589   0.00094   0.00093  -0.01492  -0.02180   0.20409
   D74        0.17383   0.00018   0.01367  -0.00794   0.01114   0.18497
   D75        0.31959  -0.00053   0.01322   0.02911   0.05113   0.37072
   D76       -1.01702  -0.00023   0.00352   0.01129   0.01408  -1.00294
   D77        1.09216   0.00014   0.00258   0.01031   0.01394   1.10610
   D78        3.11572   0.00007   0.00357   0.00867   0.01232   3.12805
   D79       -3.11324  -0.00021   0.00178   0.00216   0.00470  -3.10854
   D80       -1.00406   0.00015   0.00084   0.00118   0.00456  -0.99950
   D81        1.01950   0.00008   0.00182  -0.00045   0.00294   1.02245
   D82        1.08648  -0.00021   0.00327   0.00905   0.00960   1.09608
   D83       -3.08752   0.00016   0.00233   0.00807   0.00946  -3.07806
   D84       -1.06396   0.00009   0.00331   0.00643   0.00784  -1.05611
   D85       -0.21355  -0.00029  -0.01658  -0.35113  -0.36530  -0.57884
   D86        2.87355  -0.00013  -0.01182  -0.32775  -0.33602   2.53753
   D87       -2.32817  -0.00001  -0.01728  -0.35382  -0.37137  -2.69955
   D88        0.75892   0.00015  -0.01252  -0.33044  -0.34210   0.41682
   D89        1.92969  -0.00026  -0.01821  -0.35282  -0.37058   1.55911
   D90       -1.26640  -0.00010  -0.01346  -0.32944  -0.34131  -1.60771
   D91        3.08433   0.00008   0.00471   0.01281   0.02047   3.10480
   D92       -0.03168   0.00015   0.00358  -0.00229   0.00172  -0.02996
   D93       -0.00934  -0.00011   0.00057  -0.00748  -0.00517  -0.01451
   D94       -3.12535  -0.00004  -0.00056  -0.02258  -0.02392   3.13391
   D95       -3.08866  -0.00014  -0.00335  -0.01151  -0.01702  -3.10568
   D96        0.01740  -0.00005  -0.00305  -0.02110  -0.02494  -0.00754
   D97        0.01208  -0.00006   0.00018   0.00647   0.00511   0.01720
   D98        3.11815   0.00003   0.00048  -0.00312  -0.00280   3.11534
   D99        0.00320   0.00024  -0.00113   0.00583   0.00340   0.00660
   D100      -2.87520   0.00037  -0.00115   0.07111   0.06704  -2.80817
   D101       3.12155   0.00015  -0.00002   0.01996   0.02056  -3.14107
   D102       0.24315   0.00028  -0.00004   0.08525   0.08420   0.32735
   D103      -0.01069   0.00021  -0.00090  -0.00312  -0.00323  -0.01392
   D104       3.09888  -0.00005  -0.00102  -0.00498  -0.00504   3.09383
   D105      -3.11650   0.00011  -0.00114   0.00666   0.00496  -3.11155
   D106      -0.00694  -0.00015  -0.00126   0.00480   0.00314  -0.00379
   D107       0.00463  -0.00027   0.00123  -0.00160  -0.00008   0.00456
   D108       2.88243  -0.00015   0.00198  -0.06430  -0.06170   2.82073
   D109      -3.10488  -0.00001   0.00135   0.00004   0.00152  -3.10336
   D110      -0.22709   0.00011   0.00211  -0.06266  -0.06010  -0.28719
   D111      -0.66949  -0.00108  -0.00490   0.15440   0.15517  -0.51432
   D112      -2.15177   0.00000  -0.00695   0.14548   0.14624  -2.00554
   D113       0.81052   0.00051  -0.00058   0.20065   0.20686   1.01738
   D114       2.57496   0.00029  -0.00320   0.16163   0.14939   2.72435
   D115       2.38137  -0.00055  -0.01161   0.25094   0.23981   2.62118
   D116       2.78378  -0.00083  -0.00565   0.22863   0.22724   3.01101
   D117       1.30149   0.00024  -0.00770   0.21971   0.21830   1.51979
   D118      -2.01940   0.00076  -0.00133   0.27488   0.27892  -1.74048
   D119      -0.25496   0.00054  -0.00396   0.23587   0.22146  -0.03350
   D120      -0.44855  -0.00030  -0.01236   0.32517   0.31188  -0.13667
   D121      -1.05462   0.00004  -0.00378  -0.02247  -0.02646  -1.08108
   D122       3.11509  -0.00017  -0.00323  -0.01784  -0.02112   3.09397
   D123       1.08570  -0.00014  -0.00310  -0.01710  -0.02028   1.06542
   D124       1.05431   0.00009  -0.00428  -0.02289  -0.02734   1.02697
   D125      -1.05917  -0.00012  -0.00373  -0.01826  -0.02200  -1.08117
   D126      -3.08856  -0.00009  -0.00361  -0.01751  -0.02116  -3.10972
   D127       3.14063   0.00017  -0.00351  -0.01917  -0.02258   3.11805
   D128       1.02715  -0.00004  -0.00295  -0.01453  -0.01725   1.00991
   D129      -1.00224  -0.00001  -0.00283  -0.01379  -0.01640  -1.01864
   D130       0.01784   0.00008   0.02678   0.15149   0.17863   0.19647
   D131      -3.07181   0.00009   0.03060   0.18168   0.21263  -2.85918
   D132       2.12592   0.00029   0.02767   0.15028   0.17802   2.30395
   D133      -0.96373   0.00031   0.03149   0.18046   0.21203  -0.75170
   D134      -2.11499   0.00028   0.02737   0.14961   0.17706  -1.93792
   D135       1.07855   0.00030   0.03120   0.17979   0.21106   1.28961
   D136      -3.08787  -0.00013   0.00249   0.03448   0.03705  -3.05082
   D137       0.06645  -0.00072   0.00286   0.04122   0.04424   0.11070
   D138       0.00970  -0.00016  -0.00076   0.00886   0.00803   0.01773
   D139      -3.11917  -0.00076  -0.00038   0.01560   0.01522  -3.10395
   D140       3.07713   0.00096  -0.00619  -0.02879  -0.03485   3.04228
   D141      -0.02654  -0.00005  -0.00164  -0.02412  -0.02564  -0.05218
   D142      -0.02356   0.00097  -0.00320  -0.00502  -0.00823  -0.03180
   D143      -3.12724  -0.00003   0.00135  -0.00035   0.00097  -3.12626
   D144       0.00797  -0.00073   0.00453  -0.00958  -0.00491   0.00306
   D145      -3.10663  -0.00078  -0.00336  -0.06100  -0.06415   3.11241
   D146       3.13804  -0.00020   0.00419  -0.01569  -0.01145   3.12659
   D147       0.02344  -0.00024  -0.00370  -0.06711  -0.07069  -0.04725
   D148       0.02978  -0.00150   0.00623  -0.00073   0.00563   0.03541
   D149      -3.09611  -0.00084   0.00861   0.02148   0.03003  -3.06609
   D150       3.13348  -0.00049   0.00166  -0.00537  -0.00356   3.12992
   D151       0.00759   0.00018   0.00405   0.01684   0.02083   0.02843
   D152      -0.02304   0.00135  -0.00654   0.00619  -0.00051  -0.02355
   D153       3.08831   0.00142   0.00220   0.06383   0.06557  -3.12931
   D154       3.10300   0.00069  -0.00889  -0.01577  -0.02456   3.07844
   D155      -0.06884   0.00076  -0.00015   0.04187   0.04151  -0.02733
   D156      -1.27690  -0.00025  -0.01133  -0.08701  -0.10200  -1.37890
   D157       0.37863   0.00040  -0.00844  -0.04470  -0.05698   0.32165
   D158      -2.08389   0.00022  -0.00826  -0.07769  -0.08993  -2.17381
   D159       1.88559   0.00008  -0.00764  -0.02981  -0.02893   1.85666
   D160      -3.05220   0.00073  -0.00277  -0.02808  -0.02768  -3.07988
   D161       1.89879  -0.00033  -0.02118  -0.15194  -0.17670   1.72209
   D162      -2.72887   0.00032  -0.01828  -0.10963  -0.13168  -2.86055
   D163       1.09180   0.00013  -0.01810  -0.14262  -0.16463   0.92718
   D164      -1.22190   0.00000  -0.01749  -0.09474  -0.10363  -1.32553
   D165       0.12349   0.00065  -0.01261  -0.09301  -0.10238   0.02111
   D166       1.46813   0.00159   0.01771   0.14766   0.16951   1.63764
   D167      -1.70908   0.00176   0.02826   0.31665   0.34146  -1.36762
   D168      -0.19663   0.00069   0.01477   0.10301   0.12381  -0.07282
   D169       2.90935   0.00086   0.02532   0.27200   0.29576  -3.07808
   D170       2.27447   0.00085   0.01436   0.13414   0.15428   2.42875
   D171      -0.90274   0.00101   0.02491   0.30314   0.32623  -0.57651
   D172      -1.71673   0.00104   0.01439   0.09364   0.10337  -1.61336
   D173       1.38925   0.00121   0.02494   0.26263   0.27531   1.66457
   D174      -3.04513   0.00040   0.00945   0.07915   0.09008  -2.95505
   D175       0.06085   0.00057   0.02000   0.24815   0.26203   0.32288
   D176       1.43318   0.00000  -0.03597  -0.45397  -0.48711   0.94607
   D177      -2.92660   0.00014  -0.00776   0.01034  -0.00072  -2.92732
   D178       1.62526   0.00043  -0.00429   0.03228   0.02876   1.65402
   D179      -1.30190  -0.00017  -0.01193  -0.01688  -0.03102  -1.33291
   D180       0.15806  -0.00005  -0.00928   0.04065   0.02911   0.18717
   D181       1.83691   0.00045   0.01130  -0.00329  -0.00064   1.83627
   D182      -1.21272  -0.00011   0.01797  -0.10257  -0.08653  -1.29925
   D183      -3.00079  -0.00051   0.01521   0.00661   0.01447  -2.98633
   D184       0.37689  -0.00122   0.00576  -0.06517  -0.06626   0.31063
   D185      -1.41097  -0.00094   0.00952  -0.01128   0.00595  -1.40502
   D186      -3.09986   0.00035  -0.00410   0.08258   0.08488  -3.01497
   D187       0.05851   0.00032  -0.00827   0.00713  -0.01386   0.04464
   D188       2.73633  -0.00037  -0.01808  -0.18324  -0.18296   2.55337
   D189      -0.43794  -0.00022  -0.00813  -0.02664  -0.03374  -0.47168
   D190       0.61276   0.00104   0.00631  -0.04435  -0.03730   0.57547
   D191      -2.54028   0.00056   0.00699  -0.04585  -0.03731  -2.57760
   D192       0.10180  -0.00077   0.00259   0.01595   0.02061   0.12241
   D193      -3.09039  -0.00075   0.00094  -0.00171   0.00143  -3.08896
   D194      -3.02871  -0.00031   0.00193   0.01742   0.02064  -3.00807
   D195       0.06228  -0.00028   0.00028  -0.00025   0.00145   0.06373
   D196      -1.10630   0.00026  -0.00195  -0.01149  -0.01383  -1.12013
   D197       0.94030   0.00029  -0.00208  -0.01051  -0.01298   0.92733
   D198       3.06861   0.00008  -0.00051  -0.00881  -0.00971   3.05890
   D199       2.02451  -0.00019  -0.00134  -0.01292  -0.01387   2.01063
   D200      -2.21208  -0.00016  -0.00147  -0.01194  -0.01302  -2.22510
   D201      -0.08377  -0.00037   0.00010  -0.01024  -0.00975  -0.09352
   D202      -1.28788  -0.00091  -0.01089  -0.00568  -0.01443  -1.30231
   D203       0.77148  -0.00036  -0.00977   0.00367  -0.00506   0.76642
   D204       2.83431  -0.00039  -0.00983   0.00474  -0.00403   2.83028
   D205       1.90417  -0.00093  -0.00928   0.01189   0.00458   1.90875
   D206      -2.31965  -0.00038  -0.00816   0.02125   0.01395  -2.30570
   D207      -0.25681  -0.00041  -0.00822   0.02232   0.01497  -0.24184
   D208       0.43617   0.00073   0.00390  -0.03659  -0.03146   0.40470
   D209      -2.75825  -0.00002   0.01151  -0.02778  -0.01581  -2.77406
   D210      -1.65863   0.00050   0.00363  -0.04312  -0.03832  -1.69695
   D211       1.43014  -0.00024   0.01124  -0.03431  -0.02267   1.40747
   D212       2.57685   0.00018   0.00460  -0.04246  -0.03663   2.54022
   D213      -0.61757  -0.00056   0.01221  -0.03365  -0.02098  -0.63854
   D214       1.21963  -0.00020  -0.00499   0.02120   0.01577   1.23540
   D215      -1.86425   0.00055  -0.01327   0.01159  -0.00133  -1.86558
   D216      -0.12037   0.00008  -0.01416  -0.06452  -0.07837  -0.19874
   D217      -2.97549   0.00043   0.00300  -0.01907  -0.01556  -2.99105
   D218       2.96682  -0.00065  -0.00609  -0.05504  -0.06165   2.90517
   D219       0.11170  -0.00031   0.01106  -0.00960   0.00116   0.11286
   D220      -2.33406  -0.00008  -0.01422  -0.10103  -0.11511  -2.44917
   D221      -0.23822  -0.00038  -0.01333  -0.10106  -0.11425  -0.35247
   D222       1.84161  -0.00005  -0.01430  -0.09757  -0.11174   1.72987
   D223       1.08827   0.00024   0.00222  -0.05805  -0.05596   1.03231
   D224      -3.09907  -0.00005   0.00311  -0.05808  -0.05510   3.12901
   D225      -1.01924   0.00028   0.00214  -0.05459  -0.05259  -1.07183
         Item               Value     Threshold  Converged?
 Maximum Force            0.003989     0.000450     NO 
 RMS     Force            0.000632     0.000300     NO 
 Maximum Displacement     1.205012     0.001800     NO 
 RMS     Displacement     0.222871     0.001200     NO 
 Predicted change in Energy=-1.980626D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.933073    3.424862    2.778753
      2          6           0       -2.905674    2.582478    3.578113
      3          6           0       -1.712515    2.112921    2.780648
      4          6           0       -1.499468    1.177229    1.768184
      5          7           0       -0.446437    2.667454    3.016252
      6          6           0        0.469227    2.051554    2.203634
      7          7           0       -0.132351    1.136988    1.426942
      8          6           0       -5.220341    1.007136   -0.081439
      9          6           0       -5.886965   -0.141678   -0.858564
     10          6           0       -5.290379   -1.524808   -0.508526
     11          6           0       -3.791883   -1.553309   -0.764930
     12          8           0       -3.282408   -0.976244   -1.778048
     13          8           0       -3.026269   -2.132363    0.176838
     14          6           0       -2.160863    3.267362   -3.987259
     15          6           0       -0.698858    3.025325   -4.431068
     16          6           0        0.045924    2.067068   -3.536078
     17          6           0        0.005616    1.783898   -2.178489
     18          7           0        1.009830    1.182889   -4.054404
     19          6           0        1.493948    0.398946   -3.033378
     20          7           0        0.904205    0.744707   -1.882290
     21          6           0        4.846865    3.874973    0.362458
     22          6           0        5.414668    2.646413    1.103450
     23          6           0        4.447183    1.495118    1.072474
     24          6           0        3.287179    1.314698    0.338656
     25          7           0        4.516715    0.369974    1.911251
     26          6           0        3.405171   -0.413064    1.694188
     27          7           0        2.654232    0.128387    0.732756
     28         30           0        0.847480   -0.496617   -0.084925
     29          1           0       -4.769483    3.709231    3.429172
     30          1           0       -4.339559    2.860949    1.932875
     31          1           0       -3.472520    4.337248    2.386946
     32          1           0       -3.410869    1.721361    4.033546
     33          1           0       -2.539184    3.193936    4.416653
     34          1           0       -2.192677    0.506841    1.285536
     35          1           0       -0.245168    3.389003    3.696572
     36          1           0        1.519859    2.285985    2.211715
     37          1           0       -4.151880    1.090768   -0.316867
     38          1           0       -5.348801    0.863949    1.002041
     39          1           0       -5.688413    1.970258   -0.338628
     40          1           0       -6.965183   -0.158230   -0.643652
     41          1           0       -5.767845    0.032315   -1.934594
     42          1           0       -5.470396   -1.787846    0.539797
     43          1           0       -5.762712   -2.302813   -1.126058
     44          1           0       -2.716661    2.323540   -3.943203
     45          1           0       -2.658837    3.942619   -4.691768
     46          1           0       -2.205945    3.732992   -2.996330
     47          1           0       -0.689866    2.618614   -5.453370
     48          1           0       -0.175290    3.992302   -4.477952
     49          1           0       -0.591470    2.230072   -1.394737
     50          1           0        1.268873    1.113861   -5.030429
     51          1           0        2.212010   -0.394756   -3.144337
     52          1           0        4.670722    3.656040   -0.697813
     53          1           0        3.898539    4.203920    0.806663
     54          1           0        5.550725    4.713085    0.413156
     55          1           0        5.623774    2.918262    2.149746
     56          1           0        6.378516    2.359582    0.658864
     57          1           0        2.876412    1.930407   -0.441578
     58          1           0        5.241067    0.187343    2.594090
     59          1           0        3.150719   -1.307027    2.239563
     60          8           0       -0.968606   -1.090742   -0.486125
     61          1           0       -1.474940   -0.728608   -1.260844
     62          1           0       -1.880545   -1.751632   -0.062939
     63          6           0        2.273362   -3.296208   -1.158255
     64          8           0        1.943073   -2.070632   -1.229122
     65          7           0        1.494052   -4.232983   -0.554904
     66          6           0        0.142655   -3.975446   -0.057832
     67          6           0        0.090161   -3.160911    1.244346
     68          8           0        1.043585   -2.393762    1.606195
     69          7           0       -1.064338   -3.295385    1.938984
     70          1           0       -0.411968   -3.389132   -0.802448
     71          1           0       -0.364918   -4.935933    0.079595
     72          1           0        1.844502   -5.181512   -0.496499
     73          1           0       -1.851261   -3.756092    1.487504
     74          6           0       -1.399834   -2.468766    3.110860
     75          1           0       -1.885367   -3.086460    3.872881
     76          1           0       -0.481911   -2.039198    3.515499
     77          1           0       -2.072556   -1.658367    2.807486
     78          6           0        3.575563   -3.775976   -1.772100
     79          1           0        3.526786   -3.631148   -2.858296
     80          1           0        4.403296   -3.168482   -1.393901
     81          1           0        3.783636   -4.831925   -1.572990
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0944080      0.0723152      0.0672721
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4900.0609716098 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33692 LenP2D=  121991.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.44D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999300   -0.030530    0.001998    0.021516 Ang=  -4.29 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.96043359     A.U. after   14 cycles
            NFock= 14  Conv=0.46D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33692 LenP2D=  121991.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000680528    0.000069804   -0.000161655
      3        6           0.001239379   -0.002786858   -0.001220415
      4        6          -0.002805061    0.001839331    0.002312700
      5        7          -0.000657478    0.001862555    0.001948572
      6        6          -0.001508844   -0.000949997   -0.004319562
      7        7           0.000141782    0.000219232   -0.001287406
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000243721    0.000359249   -0.002259879
     10        6          -0.000964393    0.002093572   -0.001976983
     11        6           0.001888245    0.000166131    0.002568428
     12        8           0.002156214    0.000453909   -0.001587723
     13        8           0.001374984    0.001680696   -0.003062320
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000323808   -0.000045432    0.001588747
     16        6          -0.001752405   -0.001414724   -0.002016903
     17        6           0.000007346    0.000778794    0.002732486
     18        7           0.000126686    0.002229656    0.000905946
     19        6           0.002173686   -0.002258936    0.000703079
     20        7          -0.000364422    0.002131591    0.001945421
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.001046795    0.000930029    0.000357811
     23        6           0.000980485   -0.000064414   -0.000035045
     24        6          -0.000650511    0.000475362   -0.001883783
     25        7           0.002097662    0.000605849    0.003842647
     26        6          -0.001225398    0.002150884   -0.001069532
     27        7          -0.001463231   -0.002228185   -0.000352559
     28       30           0.002405106   -0.006971729    0.006541573
     29        1           0.000072227   -0.000652480    0.000077676
     30        1          -0.000538659    0.000174190   -0.000028044
     31        1           0.000103985   -0.001534293    0.000302197
     32        1           0.000584110   -0.000050777   -0.001488870
     33        1          -0.000121893    0.001124990   -0.000121094
     34        1           0.000970994   -0.000557419    0.001276138
     35        1           0.000092875    0.000204162    0.000076072
     36        1          -0.000776845   -0.000462882   -0.001061717
     37        1           0.000202839    0.001661880   -0.000336988
     38        1          -0.001800138   -0.000584008   -0.000125748
     39        1          -0.000973425    0.001078458   -0.000568610
     40        1          -0.000348530   -0.000235511   -0.000213933
     41        1          -0.000010745    0.000227861   -0.000209940
     42        1          -0.000113588   -0.000142663    0.000275484
     43        1           0.000626247   -0.000322549    0.000013258
     44        1           0.000741032   -0.000572067   -0.000107452
     45        1           0.000618648    0.000407965   -0.000437123
     46        1          -0.000597094    0.000085901    0.000898885
     47        1           0.001263213   -0.000314692    0.000417221
     48        1          -0.000782279    0.000553344   -0.000111561
     49        1           0.000206971   -0.000720805   -0.003556947
     50        1          -0.000188557    0.000161939    0.000002287
     51        1          -0.000630616    0.000059641   -0.000708803
     52        1          -0.000188938    0.000210441    0.000057839
     53        1          -0.000573727    0.000056401   -0.000303615
     54        1          -0.000384447    0.000065564    0.000022799
     55        1          -0.000259228   -0.000282042   -0.000420885
     56        1           0.000079563   -0.000010212   -0.000420195
     57        1           0.000951542   -0.000325006    0.000581730
     58        1           0.000031697    0.000158508    0.000258274
     59        1          -0.001551540    0.000349595   -0.001761816
     60        8           0.005658448    0.009547979   -0.005667921
     61        1          -0.006556318   -0.002307600   -0.000149570
     62        1          -0.003117481   -0.006327500    0.006226392
     63        6          -0.001023641   -0.002817517    0.003505898
     64        8           0.001083349    0.001125738   -0.002373941
     65        7          -0.000248906    0.001828814   -0.001439906
     66        6           0.001720502   -0.000990375   -0.001398447
     67        6          -0.002442522    0.004173870    0.004957897
     68        8           0.003046803   -0.001644202   -0.004128183
     69        7           0.000022055    0.000094801    0.001985179
     70        1          -0.000445723   -0.000074152   -0.000002405
     71        1           0.000048592   -0.000600888   -0.000337377
     72        1          -0.000417947   -0.000319564    0.000509162
     73        1          -0.000054056   -0.000462024   -0.000097174
     74        6          -0.000376761   -0.001248751   -0.001265995
     75        1           0.000189408    0.000055419    0.000047110
     76        1          -0.000447537    0.000196535   -0.000029087
     77        1           0.000044567    0.001128269    0.000604322
     78        6           0.000401941    0.000145121   -0.000853370
     79        1          -0.000498198    0.000004397    0.000194175
     80        1           0.000021813   -0.000071328    0.000273866
     81        1          -0.000166458    0.000050902    0.000181384
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.009547979 RMS     0.001768410

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005008425 RMS     0.001007850
 Search for a local minimum.
 Step number  14 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   13   14
 DE= -3.42D-03 DEPred=-1.98D-03 R= 1.73D+00
 TightC=F SS=  1.41D+00  RLast= 2.31D+00 DXNew= 5.0454D+00 6.9264D+00
 Trust test= 1.73D+00 RLast= 2.31D+00 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00070   0.00224   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00374   0.00394   0.00455   0.00473   0.00528
     Eigenvalues ---    0.00646   0.00706   0.00723   0.00743   0.00758
     Eigenvalues ---    0.00825   0.00842   0.00896   0.00964   0.01201
     Eigenvalues ---    0.01282   0.01315   0.01357   0.01392   0.01475
     Eigenvalues ---    0.01479   0.01539   0.01624   0.01665   0.01751
     Eigenvalues ---    0.01784   0.01839   0.01849   0.01866   0.01899
     Eigenvalues ---    0.01934   0.01961   0.02004   0.02112   0.02176
     Eigenvalues ---    0.02237   0.02272   0.02282   0.02313   0.02403
     Eigenvalues ---    0.02572   0.02677   0.03176   0.03353   0.03723
     Eigenvalues ---    0.03946   0.04055   0.04079   0.04388   0.04424
     Eigenvalues ---    0.04697   0.04873   0.05114   0.05318   0.05336
     Eigenvalues ---    0.05363   0.05367   0.05407   0.05418   0.05457
     Eigenvalues ---    0.05468   0.05483   0.05541   0.05551   0.05668
     Eigenvalues ---    0.05783   0.06310   0.06779   0.06899   0.06999
     Eigenvalues ---    0.07479   0.07482   0.07603   0.07789   0.08259
     Eigenvalues ---    0.08548   0.08997   0.09177   0.09243   0.09491
     Eigenvalues ---    0.09652   0.09820   0.10200   0.10762   0.11190
     Eigenvalues ---    0.11664   0.12211   0.12738   0.12881   0.13059
     Eigenvalues ---    0.13146   0.13378   0.14772   0.15420   0.15730
     Eigenvalues ---    0.15929   0.15967   0.15973   0.15975   0.15978
     Eigenvalues ---    0.15988   0.15994   0.15996   0.15998   0.15998
     Eigenvalues ---    0.15998   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16005   0.16010   0.16027   0.16038   0.16091
     Eigenvalues ---    0.16095   0.16258   0.16358   0.17066   0.17730
     Eigenvalues ---    0.18416   0.18894   0.19924   0.20674   0.21268
     Eigenvalues ---    0.21517   0.21870   0.22128   0.22208   0.22375
     Eigenvalues ---    0.22807   0.22822   0.23125   0.23442   0.23731
     Eigenvalues ---    0.24286   0.24448   0.24630   0.24752   0.24943
     Eigenvalues ---    0.25029   0.25526   0.26389   0.27226   0.27480
     Eigenvalues ---    0.27769   0.28180   0.28290   0.28893   0.30248
     Eigenvalues ---    0.30419   0.30678   0.31360   0.31526   0.31739
     Eigenvalues ---    0.33603   0.33613   0.33635   0.33652   0.33664
     Eigenvalues ---    0.33717   0.33786   0.33818   0.33855   0.33894
     Eigenvalues ---    0.33933   0.33939   0.33944   0.33984   0.33988
     Eigenvalues ---    0.33992   0.34041   0.34057   0.34075   0.34081
     Eigenvalues ---    0.34109   0.34134   0.34174   0.34177   0.34186
     Eigenvalues ---    0.34229   0.34240   0.34254   0.34303   0.34615
     Eigenvalues ---    0.35659   0.35684   0.35764   0.36046   0.36237
     Eigenvalues ---    0.36331   0.36419   0.36810   0.38960   0.39248
     Eigenvalues ---    0.39546   0.42248   0.42511   0.42598   0.45142
     Eigenvalues ---    0.45257   0.45327   0.45465   0.45491   0.45583
     Eigenvalues ---    0.45594   0.45639   0.45948   0.48954   0.49070
     Eigenvalues ---    0.49401   0.49624   0.49927   0.52335   0.54395
     Eigenvalues ---    0.54856   0.54952   0.55929   0.69178   0.73231
     Eigenvalues ---    0.762581000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    14   13   12
 RFO step:  Lambda=-1.14848368D-03.
 DidBck=F Rises=F RFO-DIIS coefs:    0.92186    0.28477   -0.20662
 Iteration  1 RMS(Cart)=  0.13307492 RMS(Int)=  0.01198861
 Iteration  2 RMS(Cart)=  0.02057327 RMS(Int)=  0.00142625
 Iteration  3 RMS(Cart)=  0.00089858 RMS(Int)=  0.00140171
 New curvilinear step failed, DQL= 3.24D-05 SP=-2.71D-02.
 ITry= 1 IFail=1 DXMaxC= 7.95D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.12160748 RMS(Int)=  0.00865841
 Iteration  2 RMS(Cart)=  0.01345844 RMS(Int)=  0.00114265
 Iteration  3 RMS(Cart)=  0.00049641 RMS(Int)=  0.00113625
 New curvilinear step failed, DQL= 1.43D-05 SP=-2.51D-02.
 ITry= 2 IFail=1 DXMaxC= 7.26D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.10950008 RMS(Int)=  0.00582850
 Iteration  2 RMS(Cart)=  0.00875189 RMS(Int)=  0.00090329
 Iteration  3 RMS(Cart)=  0.00021910 RMS(Int)=  0.00090130
 New curvilinear step failed, DQL= 5.22D-06 SP=-4.24D-02.
 ITry= 3 IFail=1 DXMaxC= 6.57D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.09662638 RMS(Int)=  0.00373690
 Iteration  2 RMS(Cart)=  0.00584733 RMS(Int)=  0.00069787
 Iteration  3 RMS(Cart)=  0.00007290 RMS(Int)=  0.00069724
 New curvilinear step failed, DQL= 1.67D-06 SP=-8.74D-02.
 ITry= 4 IFail=1 DXMaxC= 5.87D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08272829 RMS(Int)=  0.00279489
 Iteration  2 RMS(Cart)=  0.00436176 RMS(Int)=  0.00052482
 Iteration  3 RMS(Cart)=  0.00003849 RMS(Int)=  0.00052455
 New curvilinear step failed, DQL= 6.44D-07 SP=-9.41D-02.
 ITry= 5 IFail=1 DXMaxC= 5.18D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06898453 RMS(Int)=  0.00200117
 Iteration  2 RMS(Cart)=  0.00311326 RMS(Int)=  0.00038400
 Iteration  3 RMS(Cart)=  0.00001841 RMS(Int)=  0.00038391
 New curvilinear step failed, DQL= 2.09D-07 SP=-1.02D-01.
 ITry= 6 IFail=1 DXMaxC= 4.47D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05551602 RMS(Int)=  0.00135013
 Iteration  2 RMS(Cart)=  0.00209023 RMS(Int)=  0.00027618
 Iteration  3 RMS(Cart)=  0.00000784 RMS(Int)=  0.00027615
 New curvilinear step failed, DQL= 5.32D-08 SP=-1.14D-01.
 ITry= 7 IFail=1 DXMaxC= 3.77D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04258480 RMS(Int)=  0.00084427
 Iteration  2 RMS(Cart)=  0.00129112 RMS(Int)=  0.00020170
 Iteration  3 RMS(Cart)=  0.00000299 RMS(Int)=  0.00020170
 New curvilinear step failed, DQL= 1.07D-08 SP=-1.32D-01.
 ITry= 8 IFail=1 DXMaxC= 3.07D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03087394 RMS(Int)=  0.00048537
 Iteration  2 RMS(Cart)=  0.00071472 RMS(Int)=  0.00015809
 New curvilinear step failed, DQL= 4.03D-06 SP=-2.41D-02.
 ITry= 9 IFail=1 DXMaxC= 2.36D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02234695 RMS(Int)=  0.00027115
 Iteration  2 RMS(Cart)=  0.00035185 RMS(Int)=  0.00013759
 New curvilinear step failed, DQL= 9.67D-07 SP=-7.96D-02.
 ITry=10 IFail=1 DXMaxC= 1.65D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.02776165 RMS(Int)=  0.04449254 XScale=  5.03800678
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.02779205 RMS(Int)=  0.03365121 XScale=  2.53469937
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.02791737 RMS(Int)=  0.02296594 XScale=  1.69667367
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.02825938 RMS(Int)=  0.01244717 XScale=  1.27345908
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.02944351 RMS(Int)=  0.00313365 XScale=  1.01149927
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00451766 RMS(Int)=  0.00141089 XScale=  0.99788473
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00090353 RMS(Int)=  0.00266428 XScale=  1.00893660
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00091635 RMS(Int)=  0.00221555 XScale=  1.00638062
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00093512 RMS(Int)=  0.00181091 XScale=  1.00386069
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.00096722 RMS(Int)=  0.00149996 XScale=  1.00143892
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.00104748 RMS(Int)=  0.00137272 XScale=  0.99931384
 RedQX1 iteration     2 Try  6 RMS(Cart)=  0.00021411 RMS(Int)=  0.00136979 XScale=  0.99974694
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00000734 RMS(Int)=  0.00136967 XScale=  0.99974876
 RedQX1 iteration     3 Try  2 RMS(Cart)=  0.00000740 RMS(Int)=  0.00136955 XScale=  0.99974910
 RedQX1 iteration     3 Try  3 RMS(Cart)=  0.00000748 RMS(Int)=  0.00136946 XScale=  0.99974746
 RedQX1 iteration     3 Try  4 RMS(Cart)=  0.00000762 RMS(Int)=  0.00136939 XScale=  0.99974282
 RedQX1 iteration     3 Try  5 RMS(Cart)=  0.00000798 RMS(Int)=  0.00136933 XScale=  0.99973211
 RedQX1 iteration     3 Try  6 RMS(Cart)=  0.00000163 RMS(Int)=  0.00136934 XScale=  0.99972601
 RedQX1 iteration     4 Try  1 RMS(Cart)=  0.00000007 RMS(Int)=  0.00136934 XScale=  0.99972604
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00012252 RMS(Int)=  0.00015332 XScale=  5.05815378
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00012317 RMS(Int)=  0.00011729 XScale=  2.53112168
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00012408 RMS(Int)=  0.00008251 XScale=  1.68890241
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00012550 RMS(Int)=  0.00005143 XScale=  1.26791695
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00012859 RMS(Int)=  0.00003541 XScale=  1.01546031
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000790 RMS(Int)=  0.00003532 XScale=  1.01590699
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48451  -0.00080   0.00000   0.00000  -0.00006   8.48446
    Y1       -0.92762  -0.00199   0.00000   0.00000   0.00006  -0.92756
    Z1        7.47501  -0.00015   0.00000   0.00000  -0.00003   7.47498
    X8       10.19805  -0.00227   0.00000   0.00000   0.00005  10.19810
    Y8        1.20623   0.00321   0.00000   0.00000  -0.00008   1.20615
    Z8        0.50967  -0.00412   0.00000   0.00000   0.00006   0.50973
   X14        7.21039   0.00094   0.00000   0.00000  -0.00003   7.21037
   Y14       -7.64140   0.00031   0.00000   0.00000   0.00003  -7.64137
   Z14       -3.84248   0.00115   0.00000   0.00000  -0.00005  -3.84253
   X21       -6.13879  -0.00132   0.00000   0.00000   0.00003  -6.13875
   Y21       -9.38867   0.00110   0.00000   0.00000  -0.00002  -9.38869
   Z21        4.09467   0.00036   0.00000   0.00000   0.00002   4.09469
    R1        2.93007   0.00028   0.00004   0.00595   0.00740   2.93747
    R2        2.07310  -0.00011  -0.00008   0.00031   0.00022   2.07332
    R3        2.06900  -0.00011  -0.00063  -0.00018  -0.00080   2.06820
    R4        2.06843   0.00154   0.00071   0.00089   0.00160   2.07002
    R5        2.85346   0.00072  -0.00005  -0.00097  -0.00128   2.85219
    R6        2.07368   0.00005  -0.00025  -0.00190  -0.00214   2.07154
    R7        2.07985  -0.00033   0.00012  -0.00117  -0.00104   2.07881
    R8        2.63615  -0.00243  -0.00107  -0.00281  -0.00278   2.63336
    R9        2.64964   0.00144   0.00132   0.00371   0.00425   2.65390
   R10        2.66383  -0.00106  -0.00074  -0.00284  -0.00302   2.66080
   R11        2.03785  -0.00072   0.00042  -0.00093  -0.00050   2.03734
   R12        2.58977   0.00318   0.00084   0.00267   0.00245   2.59222
   R13        1.91225  -0.00001   0.00000   0.00006   0.00007   1.91231
   R14        2.53645  -0.00247  -0.00050  -0.00628  -0.00673   2.52971
   R15        2.03429   0.00077   0.00042   0.00404   0.00445   2.03874
   R16        4.59576  -0.00396   0.00529  -0.17793  -0.17215   4.42360
   R17        2.90802   0.00313   0.00130  -0.00213  -0.00331   2.90471
   R18        2.07356  -0.00095  -0.00008   0.00021   0.00012   2.07369
   R19        2.07950  -0.00030  -0.00005  -0.00137  -0.00141   2.07809
   R20        2.08114  -0.00154  -0.00047   0.00111   0.00063   2.08177
   R21        2.92236   0.00031   0.00065  -0.00248  -0.00423   2.91813
   R22        2.07785  -0.00044   0.00028   0.00015   0.00043   2.07828
   R23        2.07208   0.00002  -0.00006  -0.00091  -0.00097   2.07111
   R24        2.87341  -0.00060  -0.00047  -0.00014   0.00010   2.87350
   R25        2.07059   0.00011   0.00002   0.00015   0.00016   2.07075
   R26        2.07847   0.00001   0.00005   0.00009   0.00014   2.07861
   R27        2.40447   0.00120  -0.00196  -0.00322  -0.00343   2.40104
   R28        2.54124  -0.00004   0.00322   0.01493   0.01593   2.55717
   R29        3.58339   0.00310   0.00287   0.07306   0.07877   3.66216
   R30        2.32608   0.00260   0.00008   0.01475   0.01342   2.33950
   R31        2.92328  -0.00054   0.00009   0.00383   0.00454   2.92782
   R32        2.07152  -0.00032  -0.00039  -0.00096  -0.00135   2.07016
   R33        2.07034   0.00030   0.00054   0.00063   0.00117   2.07150
   R34        2.07077   0.00088  -0.00013   0.00005  -0.00008   2.07069
   R35        2.84964   0.00035  -0.00068   0.00165   0.00138   2.85103
   R36        2.07921  -0.00035  -0.00014  -0.00181  -0.00194   2.07727
   R37        2.07987  -0.00041  -0.00012  -0.00184  -0.00196   2.07791
   R38        2.62179   0.00015  -0.00002  -0.00111  -0.00265   2.61914
   R39        2.65878  -0.00137  -0.00047  -0.00361  -0.00318   2.65560
   R40        2.65580   0.00023  -0.00052  -0.00013  -0.00105   2.65475
   R41        2.04392  -0.00296   0.00114  -0.00216  -0.00102   2.04290
   R42        2.59893  -0.00149   0.00025   0.00088   0.00246   2.60139
   R43        1.91273  -0.00006   0.00002   0.00004   0.00006   1.91279
   R44        2.52994   0.00032   0.00005   0.00121   0.00125   2.53119
   R45        2.03344   0.00086  -0.00016   0.00174   0.00158   2.03502
   R46        4.12922  -0.00109   0.00145   0.00791   0.00938   4.13860
   R47        2.91584   0.00071   0.00067   0.00147   0.00155   2.91739
   R48        2.07279  -0.00015  -0.00011   0.00050   0.00039   2.07318
   R49        2.07427  -0.00062   0.00013  -0.00066  -0.00053   2.07374
   R50        2.07045   0.00010  -0.00016   0.00026   0.00010   2.07055
   R51        2.84243   0.00008   0.00051   0.00350   0.00396   2.84639
   R52        2.08073  -0.00038  -0.00005  -0.00118  -0.00124   2.07949
   R53        2.07778   0.00013  -0.00001   0.00013   0.00012   2.07790
   R54        2.61620   0.00022  -0.00050   0.00098   0.00117   2.61737
   R55        2.65527   0.00093   0.00013   0.00131   0.00106   2.65633
   R56        2.64782  -0.00089   0.00031   0.00247   0.00314   2.65096
   R57        2.03231   0.00062  -0.00030   0.00020  -0.00010   2.03221
   R58        2.60192  -0.00021  -0.00003  -0.00291  -0.00347   2.59845
   R59        1.91256   0.00014  -0.00004  -0.00001  -0.00005   1.91251
   R60        2.52222   0.00152  -0.00009   0.00219   0.00213   2.52435
   R61        2.03648   0.00044  -0.00004   0.00148   0.00144   2.03792
   R62        3.92935   0.00036  -0.00165   0.01151   0.01015   3.93950
   R63        3.68962   0.00341  -0.00384   0.00496   0.00271   3.69233
   R64        4.22007  -0.00045   0.00842   0.04436   0.05368   4.27375
   R65        4.81695   0.00074   0.00096   0.06631   0.06820   4.88515
   R66        1.87807  -0.00172  -0.00091  -0.00388  -0.00370   1.87437
   R67        2.27357  -0.00430  -0.00063  -0.04124  -0.04228   2.23128
   R68        2.40237  -0.00170   0.00037  -0.00013   0.00017   2.40254
   R69        2.56954   0.00135   0.00091   0.00315   0.00281   2.57236
   R70        2.86760   0.00028  -0.00056  -0.00206  -0.00262   2.86498
   R71        2.76422   0.00107   0.00033   0.00189   0.00100   2.76522
   R72        1.91407  -0.00016   0.00004  -0.00011  -0.00007   1.91400
   R73        2.90421   0.00190  -0.00024   0.00417   0.00299   2.90721
   R74        2.07511  -0.00029   0.00001  -0.00033  -0.00033   2.07478
   R75        2.06927  -0.00045   0.00005  -0.00140  -0.00135   2.06793
   R76        2.41151  -0.00242  -0.00019  -0.00203  -0.00173   2.40977
   R77        2.55880  -0.00009   0.00045   0.00353   0.00398   2.56278
   R78        1.92282  -0.00018   0.00008   0.00129   0.00138   1.92420
   R79        2.78319  -0.00078   0.00082   0.00340   0.00422   2.78741
   R80        2.06833   0.00009  -0.00018  -0.00153  -0.00171   2.06662
   R81        2.06218   0.00022  -0.00005   0.00051   0.00046   2.06264
   R82        2.07124  -0.00049  -0.00003  -0.00122  -0.00124   2.07000
   R83        2.07283  -0.00028   0.00014   0.00028   0.00042   2.07325
   R84        2.06770   0.00019  -0.00015  -0.00064  -0.00079   2.06690
   R85        2.06834   0.00007   0.00002   0.00022   0.00024   2.06858
    A1        1.91810   0.00069  -0.00037   0.00146   0.00109   1.91919
    A2        1.94387  -0.00087   0.00089  -0.00718  -0.00629   1.93758
    A3        1.93757   0.00023  -0.00063   0.00169   0.00106   1.93863
    A4        1.88441   0.00025   0.00035   0.00314   0.00349   1.88791
    A5        1.89332  -0.00053  -0.00022  -0.00104  -0.00126   1.89205
    A6        1.88493   0.00023  -0.00002   0.00211   0.00209   1.88702
    A7        2.00452   0.00041   0.00073  -0.00362  -0.00486   1.99967
    A8        1.91266  -0.00036  -0.00123  -0.00492  -0.00501   1.90766
    A9        1.88767   0.00008   0.00084   0.00745   0.00814   1.89580
   A10        1.91659  -0.00049  -0.00024  -0.00954  -0.00926   1.90733
   A11        1.88811   0.00016  -0.00020   0.00835   0.00875   1.89686
   A12        1.84737   0.00020   0.00009   0.00340   0.00329   1.85065
   A13        2.36395  -0.00376  -0.00020  -0.00847  -0.00708   2.35687
   A14        2.09645   0.00426   0.00045   0.00915   0.00769   2.10414
   A15        1.82278  -0.00050  -0.00022  -0.00076  -0.00095   1.82183
   A16        1.92086   0.00123  -0.00040  -0.00055  -0.00181   1.91906
   A17        2.27005  -0.00207   0.00181   0.00836   0.01036   2.28040
   A18        2.09133   0.00088  -0.00141  -0.00641  -0.00764   2.08368
   A19        1.90280  -0.00073   0.00034   0.00071   0.00082   1.90362
   A20        2.18288   0.00020  -0.00058  -0.00345  -0.00406   2.17882
   A21        2.19717   0.00056   0.00019   0.00338   0.00357   2.20074
   A22        1.92824  -0.00086  -0.00174  -0.00342  -0.00465   1.92359
   A23        2.15289   0.00156   0.00113   0.00980   0.01062   2.16351
   A24        2.20204  -0.00071   0.00062  -0.00644  -0.00614   2.19591
   A25        1.84953   0.00090   0.00181   0.00560   0.00706   1.85660
   A26        2.16568   0.00265  -0.00275  -0.04262  -0.04049   2.12519
   A27        2.26120  -0.00357  -0.00133   0.04129   0.03615   2.29736
   A28        1.95020  -0.00180   0.00206   0.00157   0.00363   1.95382
   A29        1.92785   0.00142  -0.00231   0.00192  -0.00041   1.92744
   A30        1.92925   0.00003  -0.00075   0.00289   0.00211   1.93136
   A31        1.91223  -0.00069   0.00151  -0.00558  -0.00406   1.90817
   A32        1.87245   0.00093   0.00011  -0.00334  -0.00323   1.86922
   A33        1.86933   0.00016  -0.00058   0.00238   0.00176   1.87109
   A34        1.96738  -0.00070   0.00116  -0.00779  -0.00975   1.95763
   A35        1.91487   0.00038  -0.00121  -0.00355  -0.00418   1.91068
   A36        1.90716   0.00027   0.00005   0.00866   0.00997   1.91712
   A37        1.89715   0.00010   0.00001   0.00378   0.00470   1.90185
   A38        1.89879   0.00014  -0.00025  -0.00165  -0.00095   1.89784
   A39        1.87625  -0.00017   0.00021   0.00090   0.00064   1.87689
   A40        1.93776  -0.00189  -0.00046  -0.00480  -0.00297   1.93479
   A41        1.94754   0.00020   0.00031  -0.00516  -0.00585   1.94168
   A42        1.91761   0.00027   0.00092   0.00056   0.00126   1.91887
   A43        1.89520   0.00034   0.00054  -0.00004   0.00008   1.89528
   A44        1.89155   0.00121  -0.00088   0.00501   0.00307   1.89461
   A45        1.87215  -0.00003  -0.00047   0.00505   0.00488   1.87702
   A46        2.11808   0.00073  -0.00077   0.01148   0.01423   2.13231
   A47        2.03874   0.00002   0.00000  -0.00386  -0.00608   2.03266
   A48        2.12344  -0.00074   0.00061  -0.00522  -0.00630   2.11714
   A49        1.79642  -0.00006  -0.00170   0.00085   0.00092   1.79734
   A50        1.83415   0.00032  -0.00046  -0.00061  -0.00304   1.83111
   A51        1.93478   0.00081   0.00036   0.00321   0.00357   1.93836
   A52        1.91933   0.00065  -0.00045   0.00196   0.00150   1.92083
   A53        1.94422  -0.00099  -0.00003  -0.00653  -0.00655   1.93767
   A54        1.90293  -0.00094   0.00034  -0.00130  -0.00097   1.90196
   A55        1.88457   0.00013  -0.00003   0.00033   0.00030   1.88488
   A56        1.87644   0.00031  -0.00019   0.00233   0.00215   1.87859
   A57        1.97788   0.00048  -0.00235  -0.00680  -0.00885   1.96903
   A58        1.90935  -0.00105   0.00110   0.00258   0.00436   1.91371
   A59        1.90111   0.00048   0.00023  -0.00384  -0.00452   1.89659
   A60        1.88864   0.00108   0.00015   0.01427   0.01432   1.90296
   A61        1.92691  -0.00109   0.00102  -0.00600  -0.00516   1.92175
   A62        1.85594   0.00007   0.00000   0.00042   0.00049   1.85643
   A63        2.34076  -0.00239  -0.00100  -0.01115  -0.01476   2.32600
   A64        2.11655   0.00262   0.00022   0.01175   0.01395   2.13050
   A65        1.82567  -0.00023   0.00084   0.00043   0.00049   1.82616
   A66        1.91620   0.00060  -0.00083   0.00123   0.00180   1.91800
   A67        2.26647  -0.00202   0.00069  -0.00312  -0.00312   2.26335
   A68        2.10050   0.00142   0.00014   0.00189   0.00133   2.10182
   A69        1.90273   0.00013  -0.00038   0.00005  -0.00013   1.90261
   A70        2.18149   0.00017  -0.00020  -0.00135  -0.00170   2.17979
   A71        2.19806  -0.00026   0.00062   0.00175   0.00228   2.20034
   A72        1.91351   0.00116  -0.00036   0.00029  -0.00074   1.91277
   A73        2.18805  -0.00098  -0.00031  -0.00223  -0.00223   2.18582
   A74        2.18109  -0.00018   0.00067   0.00219   0.00318   2.18428
   A75        1.86650  -0.00163   0.00074  -0.00207  -0.00148   1.86502
   A76        2.18564   0.00208   0.00118   0.00347   0.00187   2.18751
   A77        2.17968  -0.00030  -0.00045  -0.00302  -0.00014   2.17954
   A78        1.94376  -0.00025  -0.00003  -0.00017  -0.00020   1.94356
   A79        1.94142  -0.00012  -0.00032  -0.00029  -0.00061   1.94081
   A80        1.92884  -0.00042   0.00043  -0.00001   0.00042   1.92926
   A81        1.88836   0.00021  -0.00001   0.00009   0.00008   1.88845
   A82        1.87609   0.00029  -0.00010  -0.00344  -0.00355   1.87254
   A83        1.88289   0.00034   0.00003   0.00385   0.00388   1.88677
   A84        1.94212   0.00033   0.00038   0.00807   0.00874   1.95086
   A85        1.90672   0.00016   0.00050   0.00798   0.00851   1.91523
   A86        1.91358  -0.00039  -0.00065  -0.01223  -0.01312   1.90046
   A87        1.90784   0.00020  -0.00040   0.00242   0.00181   1.90965
   A88        1.93461  -0.00036   0.00010  -0.00529  -0.00526   1.92935
   A89        1.85684   0.00004   0.00006  -0.00111  -0.00098   1.85587
   A90        2.27786   0.00014   0.00022   0.00708   0.00813   2.28599
   A91        2.17582  -0.00059   0.00012  -0.00712  -0.00796   2.16786
   A92        1.82711   0.00047  -0.00029   0.00143   0.00104   1.82815
   A93        1.91745  -0.00072   0.00056  -0.00224  -0.00206   1.91538
   A94        2.25231   0.00041  -0.00048  -0.00050  -0.00080   2.25151
   A95        2.11325   0.00031  -0.00007   0.00287   0.00297   2.11622
   A96        1.89794   0.00013   0.00000   0.00150   0.00084   1.89877
   A97        2.19280   0.00009  -0.00025   0.00094   0.00022   2.19302
   A98        2.19140  -0.00014   0.00020   0.00021  -0.00006   2.19134
   A99        1.91458  -0.00102   0.00026   0.00014   0.00058   1.91516
   A100       2.19272   0.00016   0.00007  -0.00158  -0.00165   2.19107
   A101       2.17514   0.00084  -0.00029   0.00087   0.00041   2.17555
   A102       1.86703   0.00121  -0.00058   0.00129   0.00010   1.86713
   A103       2.13696   0.00095  -0.00077   0.01011   0.01096   2.14792
   A104       2.27865  -0.00216   0.00157  -0.01298  -0.01378   2.26487
   A105       1.71148   0.00010  -0.00183   0.02114   0.01749   1.72897
   A106       1.47436  -0.00060   0.00073   0.00665   0.01002   1.48437
   A107       1.52817   0.00093  -0.00137   0.03383   0.03087   1.55904
   A108       2.99747  -0.00128   0.00105  -0.03002  -0.03078   2.96670
   A109       1.68957  -0.00041   0.00089  -0.04611  -0.04628   1.64329
   A110       1.70132  -0.00005  -0.00003  -0.02652  -0.02811   1.67321
   A111       1.59879  -0.00030   0.00007  -0.01896  -0.01827   1.58052
   A112       1.53701   0.00082  -0.00133   0.02753   0.03042   1.56743
   A113       2.88213   0.00031   0.00076   0.02509   0.02842   2.91055
   A114       2.94374   0.00045  -0.00050   0.05895   0.05907   3.00281
   A115       1.55785  -0.00040  -0.00192  -0.00130   0.00313   1.56098
   A116       1.46658   0.00004   0.00254   0.00137   0.00771   1.47429
   A117       1.70780  -0.00003   0.00285  -0.04227  -0.04487   1.66292
   A118       1.55221   0.00018  -0.00288   0.02913   0.02468   1.57689
   A119       1.34652  -0.00050   0.00265  -0.00493  -0.00332   1.34319
   A120       2.12139  -0.00243  -0.00368   0.05830   0.06079   2.18218
   A121       2.49794   0.00091   0.00392  -0.08526  -0.08697   2.41097
   A122       1.65909   0.00153   0.00025   0.02067   0.01865   1.67774
   A123       2.27924  -0.00141   0.00068  -0.03476  -0.03709   2.24215
   A124       2.80520   0.00049  -0.00097   0.02455   0.03095   2.83615
   A125       2.14123   0.00176  -0.00122  -0.00823  -0.00975   2.13148
   A126       2.10041  -0.00059   0.00066   0.00534   0.00610   2.10651
   A127       2.04149  -0.00116   0.00056   0.00272   0.00337   2.04486
   A128       2.46290  -0.00092  -0.00240  -0.00926  -0.00971   2.45319
   A129       2.16396   0.00154  -0.00101  -0.00851  -0.01089   2.15307
   A130       2.06286  -0.00110   0.00089   0.00449   0.00597   2.06883
   A131       2.05435  -0.00040   0.00015   0.00558   0.00621   2.06056
   A132       1.99632  -0.00140   0.00090  -0.01022  -0.01026   1.98606
   A133       1.90731   0.00089  -0.00064   0.00233   0.00220   1.90951
   A134       1.89279  -0.00052   0.00053   0.00073   0.00125   1.89404
   A135       1.84867   0.00024  -0.00013   0.00826   0.00784   1.85651
   A136       1.92061   0.00104  -0.00068  -0.00325  -0.00312   1.91749
   A137       1.89581  -0.00017  -0.00005   0.00288   0.00275   1.89856
   A138       2.13336  -0.00200   0.00097  -0.00082   0.00076   2.13412
   A139       1.99452   0.00291  -0.00070   0.00632   0.00522   1.99974
   A140       2.15467  -0.00093  -0.00002  -0.00522  -0.00565   2.14902
   A141       1.77401   0.00501   0.00132   0.00854   0.01025   1.78426
   A142       2.06774  -0.00021  -0.00024  -0.00209  -0.00288   2.06486
   A143       2.14918  -0.00015   0.00033  -0.00099  -0.00115   2.14803
   A144       2.01640   0.00047  -0.00109  -0.00828  -0.00985   2.00655
   A145       1.91587  -0.00027  -0.00006  -0.00860  -0.00866   1.90721
   A146       1.90113  -0.00040   0.00014   0.00050   0.00063   1.90177
   A147       1.91193   0.00130  -0.00115   0.00584   0.00468   1.91661
   A148       1.91467  -0.00001   0.00036  -0.00012   0.00022   1.91489
   A149       1.91527  -0.00079   0.00088  -0.00321  -0.00233   1.91294
   A150       1.90483   0.00018  -0.00018   0.00572   0.00552   1.91035
   A151       1.89723   0.00077  -0.00057   0.00445   0.00388   1.90111
   A152       1.91115  -0.00051   0.00052  -0.00223  -0.00171   1.90944
   A153       1.97640  -0.00002  -0.00011  -0.00124  -0.00135   1.97504
   A154       1.87823  -0.00015  -0.00010  -0.00104  -0.00113   1.87709
   A155       1.89228  -0.00010  -0.00008   0.00012   0.00004   1.89232
   A156       1.90599   0.00001   0.00033  -0.00002   0.00031   1.90629
    D1        3.12715  -0.00027   0.00035  -0.00343  -0.00274   3.12441
    D2        0.96042   0.00037   0.00112   0.01589   0.01697   0.97739
    D3       -1.04570   0.00027   0.00121   0.01039   0.01130  -1.03440
    D4        1.03966  -0.00047  -0.00042  -0.00372  -0.00380   1.03586
    D5       -1.12707   0.00016   0.00035   0.01560   0.01591  -1.11116
    D6       -3.13319   0.00007   0.00044   0.01010   0.01024  -3.12295
    D7       -1.06146  -0.00033  -0.00057  -0.00270  -0.00293  -1.06439
    D8        3.05499   0.00030   0.00020   0.01662   0.01679   3.07178
    D9        1.04887   0.00021   0.00029   0.01112   0.01111   1.05999
   D10       -1.23793  -0.00070   0.00508  -0.24791  -0.24369  -1.48161
   D11        1.90735  -0.00019   0.00396  -0.21654  -0.21430   1.69305
   D12        0.92672  -0.00127   0.00379  -0.26482  -0.26115   0.66558
   D13       -2.21119  -0.00075   0.00267  -0.23345  -0.23176  -2.44294
   D14        2.93516  -0.00120   0.00365  -0.26124  -0.25740   2.67777
   D15       -0.20274  -0.00068   0.00254  -0.22988  -0.22801  -0.43075
   D16       -3.10831  -0.00056   0.00473  -0.01280  -0.01097  -3.11928
   D17       -0.01451   0.00020   0.00478   0.02234   0.02668   0.01217
   D18        0.02999  -0.00101   0.00571  -0.04080  -0.03708  -0.00709
   D19        3.12380  -0.00025   0.00576  -0.00566   0.00057   3.12436
   D20        3.10878   0.00102  -0.00548   0.02285   0.01954   3.12832
   D21       -0.00662  -0.00005  -0.00150  -0.00265  -0.00351  -0.01012
   D22       -0.03014   0.00140  -0.00632   0.04560   0.04100   0.01086
   D23        3.13765   0.00034  -0.00234   0.02009   0.01795  -3.12759
   D24       -0.01886   0.00026  -0.00301   0.02095   0.01959   0.00072
   D25        3.00834  -0.00018  -0.01436   0.06048   0.04797   3.05631
   D26       -3.11830  -0.00032  -0.00317  -0.01048  -0.01374  -3.13204
   D27       -0.09110  -0.00076  -0.01451   0.02904   0.01465  -0.07645
   D28        0.01995  -0.00131   0.00479  -0.03505  -0.03101  -0.01106
   D29       -3.11733  -0.00079   0.00431  -0.01912  -0.01655  -3.13388
   D30        3.13508  -0.00023   0.00078  -0.00941  -0.00774   3.12734
   D31       -0.00221   0.00028   0.00029   0.00651   0.00672   0.00452
   D32       -0.00080   0.00061  -0.00112   0.00871   0.00711   0.00631
   D33       -3.01946   0.00050   0.01170  -0.02602  -0.01795  -3.03741
   D34        3.13634   0.00008  -0.00062  -0.00772  -0.00764   3.12870
   D35        0.11768  -0.00003   0.01221  -0.04245  -0.03270   0.08498
   D36        1.72938  -0.00010  -0.02145   0.04820   0.02512   1.75451
   D37       -2.86436  -0.00024  -0.02129   0.02050  -0.00330  -2.86766
   D38        0.13633   0.00008  -0.02135   0.06344   0.03940   0.17574
   D39       -2.15249  -0.00052  -0.04192   0.32161   0.27695  -1.87554
   D40       -1.41063  -0.00023  -0.01851   0.02789   0.01032  -1.40031
   D41       -1.55503  -0.00020  -0.03525   0.09300   0.05746  -1.49757
   D42        0.13441  -0.00033  -0.03508   0.06529   0.02903   0.16344
   D43        3.13510  -0.00002  -0.03515   0.10823   0.07174  -3.07635
   D44        0.84628  -0.00061  -0.05572   0.36641   0.30928   1.15557
   D45        1.58814  -0.00033  -0.03231   0.07269   0.04265   1.63079
   D46        1.08245  -0.00028  -0.00689  -0.03484  -0.04161   1.04084
   D47       -3.08395  -0.00035  -0.00698  -0.03777  -0.04505  -3.12900
   D48       -1.03099  -0.00017  -0.00738  -0.03366  -0.04087  -1.07186
   D49       -1.05105   0.00086  -0.00863  -0.03014  -0.03863  -1.08968
   D50        1.06573   0.00078  -0.00871  -0.03307  -0.04207   1.02366
   D51        3.11869   0.00096  -0.00912  -0.02896  -0.03789   3.08080
   D52       -3.11679  -0.00026  -0.00590  -0.03609  -0.04188   3.12452
   D53       -1.00000  -0.00033  -0.00599  -0.03902  -0.04533  -1.04533
   D54        1.05296  -0.00016  -0.00640  -0.03491  -0.04114   1.01182
   D55       -0.99839   0.00056  -0.00935   0.02849   0.01843  -0.97996
   D56        1.11845  -0.00018  -0.00876   0.02153   0.01248   1.13093
   D57       -3.09056   0.00008  -0.00856   0.02493   0.01569  -3.07487
   D58       -3.12522   0.00047  -0.00858   0.03545   0.02684  -3.09838
   D59       -1.00838  -0.00027  -0.00799   0.02850   0.02089  -0.98749
   D60        1.06580  -0.00001  -0.00779   0.03190   0.02410   1.08990
   D61        1.11981   0.00053  -0.00870   0.03321   0.02401   1.14382
   D62       -3.04653  -0.00020  -0.00811   0.02625   0.01805  -3.02848
   D63       -0.97235   0.00006  -0.00790   0.02965   0.02126  -0.95109
   D64       -0.68339  -0.00064   0.00284  -0.12411  -0.12240  -0.80579
   D65        2.37743  -0.00049   0.00042  -0.09124  -0.09081   2.28662
   D66       -2.83067   0.00010   0.00237  -0.11449  -0.11321  -2.94388
   D67        0.23015   0.00025  -0.00004  -0.08162  -0.08162   0.14852
   D68        1.42423  -0.00069   0.00311  -0.12314  -0.12069   1.30353
   D69       -1.79814  -0.00054   0.00069  -0.09027  -0.08911  -1.88724
   D70        2.76674   0.00034  -0.00730   0.02700   0.02347   2.79021
   D71       -0.29015   0.00014  -0.00474  -0.00758  -0.00970  -0.29985
   D72       -2.85646   0.00015   0.00480  -0.00681  -0.00593  -2.86239
   D73        0.20409   0.00037   0.00229   0.02700   0.02638   0.23047
   D74        0.18497  -0.00035   0.00768  -0.01081  -0.00230   0.18266
   D75        0.37072  -0.00097   0.00427  -0.05463  -0.04806   0.32266
   D76       -1.00294  -0.00069   0.00110  -0.02791  -0.02712  -1.03006
   D77        1.10610   0.00025   0.00053  -0.01238  -0.01165   1.09445
   D78        3.12805   0.00002   0.00127  -0.01259  -0.01120   3.11685
   D79       -3.10854  -0.00047   0.00075  -0.02965  -0.02922  -3.13776
   D80       -0.99950   0.00048   0.00017  -0.01412  -0.01375  -1.01325
   D81        1.02245   0.00025   0.00091  -0.01433  -0.01330   1.00915
   D82        1.09608  -0.00065   0.00129  -0.02969  -0.02872   1.06736
   D83       -3.07806   0.00030   0.00072  -0.01416  -0.01325  -3.09131
   D84       -1.05611   0.00007   0.00146  -0.01438  -0.01280  -1.06891
   D85       -0.57884   0.00000   0.01818  -0.16687  -0.14762  -0.72647
   D86        2.53753   0.00019   0.01886  -0.10247  -0.08194   2.45559
   D87       -2.69955   0.00026   0.01822  -0.17582  -0.15750  -2.85704
   D88        0.41682   0.00044   0.01890  -0.11141  -0.09181   0.32501
   D89        1.55911   0.00016   0.01757  -0.18124  -0.16347   1.39563
   D90       -1.60771   0.00034   0.01826  -0.11683  -0.09779  -1.70550
   D91        3.10480   0.00118   0.00135   0.05475   0.05710  -3.12128
   D92       -0.02996   0.00074   0.00211   0.05409   0.05596   0.02600
   D93       -0.01451   0.00098   0.00076  -0.00229  -0.00061  -0.01512
   D94        3.13391   0.00054   0.00152  -0.00295  -0.00175   3.13216
   D95       -3.10568  -0.00106  -0.00076  -0.04397  -0.04666   3.13084
   D96       -0.00754  -0.00025   0.00004  -0.03300  -0.03399  -0.04153
   D97        0.01720  -0.00096  -0.00029   0.00360   0.00250   0.01969
   D98        3.11534  -0.00015   0.00052   0.01457   0.01517   3.13051
   D99        0.00660  -0.00065  -0.00097   0.00012  -0.00156   0.00504
   D100      -2.80817  -0.00092  -0.00596   0.00587  -0.00217  -2.81034
   D101      -3.14107  -0.00027  -0.00162   0.00068  -0.00056   3.14156
   D102       0.32735  -0.00054  -0.00661   0.00644  -0.00117   0.32618
   D103      -0.01392   0.00059  -0.00031  -0.00371  -0.00361  -0.01753
   D104       3.09383   0.00072  -0.00024   0.00418   0.00445   3.09828
   D105      -3.11155  -0.00024  -0.00110  -0.01472  -0.01634  -3.12789
   D106      -0.00379  -0.00011  -0.00103  -0.00683  -0.00829  -0.01208
   D107       0.00456   0.00003   0.00077   0.00219   0.00314   0.00769
   D108       2.82073   0.00086   0.00606  -0.00200   0.00423   2.82496
   D109      -3.10336  -0.00009   0.00073  -0.00556  -0.00478  -3.10814
   D110      -0.28719   0.00075   0.00602  -0.00975  -0.00369  -0.29088
   D111      -0.51432  -0.00037  -0.01519   0.02093   0.01011  -0.50421
   D112      -2.00554   0.00024  -0.01577   0.01511   0.00207  -2.00347
   D113       1.01738   0.00053  -0.01652   0.05292   0.03886   1.05623
   D114       2.72435   0.00053  -0.01368   0.01183  -0.00522   2.71913
   D115       2.62118   0.00014  -0.02600   0.09891   0.07385   2.69503
   D116       3.01101  -0.00057  -0.02129   0.02719   0.00952   3.02053
   D117       1.51979   0.00004  -0.02187   0.02137   0.00148   1.52127
   D118      -1.74048   0.00033  -0.02263   0.05918   0.03827  -1.70221
   D119      -0.03350   0.00033  -0.01978   0.01809  -0.00581  -0.03931
   D120      -0.13667  -0.00007  -0.03210   0.10517   0.07326  -0.06341
   D121      -1.08108   0.00034  -0.00030  -0.01219  -0.01238  -1.09346
   D122       3.09397  -0.00024  -0.00037  -0.02564  -0.02610   3.06787
   D123       1.06542  -0.00016  -0.00035  -0.02194  -0.02230   1.04312
   D124       1.02697   0.00035  -0.00054  -0.01239  -0.01283   1.01414
   D125      -1.08117  -0.00022  -0.00061  -0.02584  -0.02655  -1.10772
   D126      -3.10972  -0.00015  -0.00060  -0.02214  -0.02275  -3.13246
   D127       3.11805   0.00041  -0.00043  -0.00775  -0.00808   3.10997
   D128       1.00991  -0.00016  -0.00050  -0.02120  -0.02180   0.98811
   D129      -1.01864  -0.00009  -0.00049  -0.01750  -0.01799  -1.03663
   D130       0.19647  -0.00030   0.00279   0.12421   0.12675   0.32322
   D131      -2.85918  -0.00067   0.00252   0.09924   0.10139  -2.75780
   D132       2.30395   0.00025   0.00339   0.14095   0.14435   2.44829
   D133      -0.75170  -0.00012   0.00313   0.11597   0.11898  -0.63272
   D134      -1.93792   0.00022   0.00328   0.13795   0.14116  -1.79676
   D135       1.28961  -0.00015   0.00302   0.11298   0.11580   1.40541
   D136      -3.05082  -0.00105  -0.00134  -0.04263  -0.04460  -3.09541
   D137       0.11070  -0.00118  -0.00167  -0.05001  -0.05185   0.05884
   D138       0.01773  -0.00078  -0.00110  -0.02181  -0.02334  -0.00562
   D139      -3.10395  -0.00090  -0.00143  -0.02918  -0.03060  -3.13455
   D140       3.04228   0.00194  -0.00115   0.06749   0.06680   3.10908
   D141      -0.05218   0.00021   0.00098   0.00808   0.00915  -0.04303
   D142      -0.03180   0.00165  -0.00136   0.04751   0.04657   0.01477
   D143      -3.12626  -0.00008   0.00077  -0.01190  -0.01108  -3.13734
   D144       0.00306  -0.00041   0.00322  -0.01240  -0.00880  -0.00574
   D145       3.11241  -0.00042   0.00291  -0.05886  -0.05574   3.05667
   D146       3.12659  -0.00029   0.00351  -0.00576  -0.00225   3.12435
   D147      -0.04725  -0.00030   0.00321  -0.05222  -0.04919  -0.09644
   D148       0.03541  -0.00204   0.00346  -0.05790  -0.05458  -0.01917
   D149      -3.06609  -0.00170   0.00304  -0.04230  -0.03968  -3.10576
   D150       3.12992  -0.00030   0.00132   0.00147   0.00301   3.13293
   D151       0.02843   0.00004   0.00090   0.01707   0.01791   0.04634
   D152      -0.02355   0.00148  -0.00405   0.04293   0.03875   0.01520
   D153      -3.12931   0.00140  -0.00375   0.09391   0.08928  -3.04003
   D154       3.07844   0.00113  -0.00364   0.02745   0.02395   3.10239
   D155      -0.02733   0.00105  -0.00334   0.07844   0.07448   0.04716
   D156      -1.37890  -0.00020   0.00088  -0.05496  -0.05493  -1.43383
   D157       0.32165  -0.00018  -0.00082  -0.03065  -0.03408   0.28757
   D158      -2.17381  -0.00029   0.00186  -0.04759  -0.04759  -2.22140
   D159       1.85666   0.00060  -0.00252  -0.00258  -0.00269   1.85397
   D160      -3.07988   0.00014   0.00043  -0.00738  -0.00626  -3.08614
   D161       1.72209  -0.00012   0.00056  -0.11300  -0.11292   1.60918
   D162      -2.86055  -0.00009  -0.00114  -0.08868  -0.09207  -2.95262
   D163       0.92718  -0.00021   0.00154  -0.10563  -0.10558   0.82160
   D164      -1.32553   0.00068  -0.00284  -0.06061  -0.06068  -1.38621
   D165       0.02111   0.00022   0.00011  -0.06542  -0.06425  -0.04314
   D166       1.63764   0.00089  -0.00217   0.13220   0.12997   1.76761
   D167      -1.36762   0.00071  -0.00901   0.21689   0.20556  -1.16206
   D168      -0.07282   0.00076  -0.00044   0.10954   0.11156   0.03874
   D169      -3.07808   0.00059  -0.00728   0.19423   0.18715  -2.89093
   D170       2.42875   0.00088  -0.00308   0.12408   0.12277   2.55152
   D171      -0.57651   0.00070  -0.00992   0.20877   0.19835  -0.37816
   D172      -1.61336  -0.00002   0.00092   0.08535   0.08379  -1.52957
   D173       1.66457  -0.00020  -0.00592   0.17004   0.15937   1.82394
   D174      -2.95505   0.00046  -0.00113   0.08392   0.08270  -2.87235
   D175       0.32288   0.00028  -0.00797   0.16860   0.15828   0.48116
   D176       0.94607  -0.00063   0.01557  -0.30358  -0.28691   0.65916
   D177      -2.92732  -0.00100  -0.00480  -0.03126  -0.03694  -2.96427
   D178       1.65402  -0.00095  -0.00493  -0.00429  -0.00835   1.64567
   D179      -1.33291  -0.00119  -0.00504  -0.04534  -0.05110  -1.38401
   D180       0.18717  -0.00108  -0.00808  -0.00593  -0.01550   0.17166
   D181       1.83627  -0.00053   0.00712  -0.00592  -0.00323   1.83304
   D182      -1.29925  -0.00104   0.01800  -0.08373  -0.06638  -1.36563
   D183      -2.98633  -0.00109   0.00838   0.00646   0.01286  -2.97347
   D184       0.31063  -0.00150   0.00878  -0.04462  -0.03704   0.27358
   D185      -1.40502  -0.00145   0.00549   0.00533   0.01465  -1.39037
   D186      -3.01497   0.00004  -0.00920   0.06462   0.05666  -2.95832
   D187       0.04464   0.00024  -0.00409   0.00441  -0.00301   0.04163
   D188       2.55337   0.00048   0.00299  -0.03273  -0.02401   2.52936
   D189      -0.47168   0.00052  -0.00245   0.03557   0.03355  -0.43813
   D190       0.57547   0.00004   0.00686   0.03719   0.04418   0.61964
   D191      -2.57760   0.00042   0.00729   0.01896   0.02674  -2.55085
   D192       0.12241  -0.00005   0.00001  -0.04147  -0.04075   0.08167
   D193      -3.08896   0.00059   0.00048  -0.01419  -0.01281  -3.10177
   D194      -3.00807  -0.00042  -0.00041  -0.02383  -0.02392  -3.03199
   D195       0.06373   0.00023   0.00006   0.00345   0.00402   0.06776
   D196      -1.12013  -0.00006  -0.00014  -0.00201  -0.00226  -1.12239
   D197       0.92733  -0.00009  -0.00029  -0.00196  -0.00236   0.92497
   D198       3.05890  -0.00046   0.00044  -0.00447  -0.00414   3.05476
   D199       2.01063   0.00031   0.00025  -0.01930  -0.01894   1.99170
   D200      -2.22510   0.00028   0.00010  -0.01925  -0.01904  -2.24414
   D201      -0.09352  -0.00009   0.00083  -0.02176  -0.02082  -0.11434
   D202      -1.30231   0.00051  -0.00568  -0.04419  -0.04880  -1.35111
   D203       0.76642   0.00054  -0.00572  -0.03861  -0.04392   0.72250
   D204       2.83028   0.00054  -0.00583  -0.03341  -0.03864   2.79164
   D205       1.90875  -0.00010  -0.00616  -0.07131  -0.07661   1.83214
   D206      -2.30570  -0.00007  -0.00620  -0.06573  -0.07173  -2.37743
   D207      -0.24184  -0.00008  -0.00631  -0.06053  -0.06645  -0.30829
   D208       0.40470   0.00164   0.00490   0.09868   0.10391   0.50861
   D209      -2.77406   0.00103   0.00844   0.10680   0.11535  -2.65871
   D210      -1.69695   0.00120   0.00526   0.09614   0.10192  -1.59503
   D211       1.40747   0.00058   0.00880   0.10426   0.11335   1.52083
   D212       2.54022   0.00074   0.00574   0.08979   0.09590   2.63612
   D213      -0.63854   0.00013   0.00928   0.09791   0.10733  -0.53121
   D214       1.23540  -0.00200  -0.00435  -0.07097  -0.07549   1.15992
   D215      -1.86558  -0.00140  -0.00819  -0.08010  -0.08815  -1.95373
   D216      -0.19874  -0.00009  -0.00273  -0.07708  -0.07968  -0.27842
   D217      -2.99105  -0.00057   0.00309  -0.03700  -0.03367  -3.02471
   D218       2.90517  -0.00074   0.00101  -0.06874  -0.06798   2.83719
   D219       0.11286  -0.00122   0.00683  -0.02866  -0.02196   0.09090
   D220      -2.44917   0.00033   0.00010  -0.04726  -0.04707  -2.49625
   D221      -0.35247  -0.00010   0.00059  -0.05231  -0.05163  -0.40410
   D222       1.72987   0.00065  -0.00021  -0.04160  -0.04172   1.68815
   D223       1.03231  -0.00002   0.00576  -0.00934  -0.00367   1.02864
   D224       3.12901  -0.00045   0.00625  -0.01439  -0.00822   3.12079
   D225      -1.07183   0.00030   0.00545  -0.00368   0.00169  -1.07014
         Item               Value     Threshold  Converged?
 Maximum Force            0.005000     0.000450     NO 
 RMS     Force            0.000974     0.000300     NO 
 Maximum Displacement     0.796167     0.001800     NO 
 RMS     Displacement     0.142104     0.001200     NO 
 Predicted change in Energy=-2.943875D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.804241    3.031775    3.263721
      2          6           0       -2.951005    1.853277    3.810920
      3          6           0       -1.723310    1.534458    2.992910
      4          6           0       -1.464900    0.761181    1.862797
      5          7           0       -0.467907    2.045492    3.360464
      6          6           0        0.475907    1.598131    2.471218
      7          7           0       -0.092948    0.810871    1.549996
      8          6           0       -5.135467    1.182237    0.024929
      9          6           0       -5.877931    0.177653   -0.870756
     10          6           0       -5.324686   -1.256234   -0.720890
     11          6           0       -3.832079   -1.293423   -1.008886
     12          8           0       -3.322994   -0.712246   -2.017560
     13          8           0       -3.058321   -1.931141   -0.100172
     14          6           0       -2.000350    4.009957   -3.424611
     15          6           0       -0.504058    3.866380   -3.800027
     16          6           0        0.158724    2.691859   -3.123721
     17          6           0        0.092476    2.173297   -1.840105
     18          7           0        1.093279    1.878752   -3.787259
     19          6           0        1.534264    0.903828   -2.921192
     20          7           0        0.946284    1.063312   -1.728308
     21          6           0        4.996880    3.674215    0.971233
     22          6           0        5.504893    2.305003    1.471780
     23          6           0        4.470738    1.224990    1.290494
     24          6           0        3.345166    1.171233    0.485162
     25          7           0        4.446739    0.023411    2.019563
     26          6           0        3.349828   -0.708866    1.630588
     27          7           0        2.658312   -0.031031    0.710378
     28         30           0        0.824868   -0.476820   -0.176023
     29          1           0       -4.682723    3.186410    3.902554
     30          1           0       -4.153540    2.824678    2.247399
     31          1           0       -3.224516    3.960951    3.241967
     32          1           0       -3.577735    0.957159    3.887469
     33          1           0       -2.637675    2.093550    4.837673
     34          1           0       -2.126014    0.169313    1.250461
     35          1           0       -0.298736    2.644829    4.158101
     36          1           0        1.525164    1.841432    2.532797
     37          1           0       -4.063848    1.224895   -0.207417
     38          1           0       -5.267981    0.922294    1.085192
     39          1           0       -5.537751    2.198301   -0.114220
     40          1           0       -6.947085    0.177045   -0.613026
     41          1           0       -5.791442    0.480467   -1.920520
     42          1           0       -5.495281   -1.644156    0.289644
     43          1           0       -5.833936   -1.930381   -1.425225
     44          1           0       -2.562401    3.109616   -3.695842
     45          1           0       -2.436766    4.872024   -3.942315
     46          1           0       -2.121519    4.173123   -2.347862
     47          1           0       -0.405264    3.755416   -4.889184
     48          1           0        0.016236    4.798139   -3.535067
     49          1           0       -0.496182    2.498632   -0.993749
     50          1           0        1.368447    1.984506   -4.755584
     51          1           0        2.226282    0.117488   -3.171121
     52          1           0        4.788162    3.653609   -0.105614
     53          1           0        4.078271    3.971500    1.492781
     54          1           0        5.751561    4.450024    1.141857
     55          1           0        5.777068    2.375954    2.535643
     56          1           0        6.428498    2.049253    0.932692
     57          1           0        2.991806    1.889564   -0.232904
     58          1           0        5.129561   -0.261238    2.710204
     59          1           0        3.054809   -1.661725    2.040480
     60          8           0       -0.981261   -0.945582   -0.755570
     61          1           0       -1.457928   -0.534424   -1.522092
     62          1           0       -1.903589   -1.560324   -0.348677
     63          6           0        2.155013   -3.171535   -1.639329
     64          8           0        1.870164   -1.935548   -1.552312
     65          7           0        1.313075   -4.141835   -1.189202
     66          6           0       -0.023541   -3.866071   -0.661340
     67          6           0       -0.022313   -3.319405    0.776686
     68          8           0        0.946148   -2.633769    1.243715
     69          7           0       -1.142671   -3.599680    1.487617
     70          1           0       -0.510605   -3.102673   -1.282174
     71          1           0       -0.612718   -4.787012   -0.708532
     72          1           0        1.609814   -5.108080   -1.253837
     73          1           0       -1.970801   -3.908414    0.981949
     74          6           0       -1.402891   -3.047863    2.830567
     75          1           0       -1.900137   -3.805905    3.442206
     76          1           0       -0.452683   -2.769373    3.289838
     77          1           0       -2.042822   -2.162436    2.750564
     78          6           0        3.446982   -3.623948   -2.290978
     79          1           0        3.428352   -3.342471   -3.351207
     80          1           0        4.289720   -3.104009   -1.826474
     81          1           0        3.608268   -4.704491   -2.222723
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0942298      0.0727157      0.0672499
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4900.9796572337 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33717 LenP2D=  122005.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.45D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.996487   -0.082594    0.003461    0.013388 Ang=  -9.61 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 EnCoef did    10 forward-backward iterations
 SCF Done:  E(RB3LYP) =  -1819.96360638     A.U. after   12 cycles
            NFock= 12  Conv=0.83D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33717 LenP2D=  122005.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.001170730    0.000424211   -0.001867181
      3        6          -0.002369816    0.001233820    0.000509184
      4        6          -0.000171422   -0.001609997    0.001108941
      5        7           0.001719685   -0.001785918    0.001007576
      6        6          -0.003811735    0.000003552   -0.001113125
      7        7           0.001407598    0.002653768   -0.004271028
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000845289    0.000216557   -0.001957572
     10        6          -0.001438549    0.003151153   -0.001392674
     11        6          -0.004838102    0.006067320    0.002234019
     12        8           0.003926649   -0.000994855   -0.000580850
     13        8           0.007077886    0.001147127   -0.002659978
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.001291865    0.001949596    0.001640023
     16        6          -0.002362944   -0.004472871   -0.000807459
     17        6          -0.000288000    0.002454256    0.003574928
     18        7           0.000003519    0.002196459    0.000082095
     19        6           0.002068557   -0.002713960    0.000655308
     20        7          -0.000424692    0.002347523    0.000062357
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000681593    0.000965355   -0.000233019
     23        6           0.001589122   -0.000921269    0.002831634
     24        6          -0.001237196    0.001691507   -0.000878594
     25        7          -0.001900563   -0.000923369   -0.001644653
     26        6           0.002762696    0.002897122    0.002335489
     27        7          -0.004115129   -0.001997985   -0.002545931
     28       30           0.000812501   -0.008698135    0.004733970
     29        1          -0.000205205   -0.000574664    0.000053177
     30        1          -0.000118579    0.000137195   -0.000310314
     31        1           0.000173939   -0.001190034    0.000455389
     32        1           0.000508794   -0.000081350   -0.001090941
     33        1          -0.000046896    0.000748757   -0.000049745
     34        1           0.002176701    0.000289959    0.002291581
     35        1          -0.000204319   -0.000459052   -0.000096531
     36        1           0.000918735    0.000281831   -0.000248112
     37        1           0.000170584    0.001443693   -0.000324714
     38        1          -0.001896228   -0.000359542    0.000098797
     39        1          -0.000806987    0.001456124   -0.000377812
     40        1          -0.000498527   -0.000152251   -0.000835057
     41        1          -0.000073732   -0.000548294   -0.000145310
     42        1          -0.000287110   -0.000291126   -0.000004539
     43        1           0.000289189   -0.000619616    0.000129737
     44        1           0.000542308   -0.000227931   -0.000217204
     45        1           0.000375129    0.000533025   -0.000373630
     46        1          -0.000059804    0.000271810    0.000767708
     47        1           0.000859661    0.000169085   -0.000049112
     48        1          -0.001016074    0.000071181   -0.000176463
     49        1           0.000171497   -0.000606753   -0.003089617
     50        1          -0.000250013    0.000511986   -0.000197746
     51        1          -0.000182827    0.000219977   -0.000560447
     52        1          -0.000046346    0.000500741    0.000038652
     53        1          -0.000427690   -0.000243353   -0.000143794
     54        1          -0.000377213    0.000166258    0.000241018
     55        1           0.000314788   -0.000579063   -0.000098115
     56        1          -0.000393296    0.000818353   -0.000238034
     57        1           0.000726150   -0.000210168    0.000118752
     58        1          -0.000250381   -0.000029253   -0.000023925
     59        1          -0.000809940   -0.000158803   -0.000847795
     60        8           0.004562669    0.007907310   -0.004311216
     61        1          -0.006651031   -0.002806958    0.000094768
     62        1          -0.003087963   -0.003967773    0.004390605
     63        6           0.001994217   -0.002024495    0.001673629
     64        8           0.000271032   -0.000477137    0.000012736
     65        7          -0.000858491    0.000528484   -0.000639711
     66        6           0.000998786    0.000097241   -0.000802057
     67        6          -0.001080178    0.004186165    0.003876884
     68        8           0.001635064   -0.002416326   -0.004268270
     69        7           0.003667318   -0.001190551    0.002709525
     70        1          -0.000939527   -0.000038676    0.000257253
     71        1           0.000095544   -0.000308042   -0.000672353
     72        1          -0.000461100   -0.000203361    0.000561120
     73        1          -0.001783862    0.000276669   -0.001260834
     74        6          -0.001158789   -0.001102988   -0.002737030
     75        1           0.000159016    0.000545302    0.000634637
     76        1           0.000105839   -0.000072341    0.000006504
     77        1           0.000244468    0.000026613    0.000984406
     78        6          -0.000044101    0.000246343   -0.000930859
     79        1          -0.000168777    0.000119867    0.000428225
     80        1          -0.000299021   -0.000197462    0.000381658
     81        1          -0.000167682   -0.000020067    0.000226369
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008698135 RMS     0.001853168

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005346003 RMS     0.001029505
 Search for a local minimum.
 Step number  15 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   14   15
 DE= -3.17D-03 DEPred=-2.94D-03 R= 1.08D+00
 TightC=F SS=  1.41D+00  RLast= 1.21D+00 DXNew= 5.0454D+00 3.6416D+00
 Trust test= 1.08D+00 RLast= 1.21D+00 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00082   0.00229   0.00230   0.00231   0.00233
     Eigenvalues ---    0.00341   0.00373   0.00446   0.00511   0.00528
     Eigenvalues ---    0.00629   0.00667   0.00711   0.00749   0.00759
     Eigenvalues ---    0.00774   0.00847   0.00892   0.00967   0.01211
     Eigenvalues ---    0.01283   0.01332   0.01365   0.01402   0.01478
     Eigenvalues ---    0.01518   0.01565   0.01617   0.01669   0.01730
     Eigenvalues ---    0.01802   0.01833   0.01845   0.01868   0.01884
     Eigenvalues ---    0.01931   0.01971   0.02007   0.02096   0.02221
     Eigenvalues ---    0.02244   0.02268   0.02274   0.02317   0.02394
     Eigenvalues ---    0.02643   0.02820   0.03266   0.03498   0.03815
     Eigenvalues ---    0.03999   0.04020   0.04143   0.04235   0.04434
     Eigenvalues ---    0.04696   0.04839   0.05147   0.05305   0.05331
     Eigenvalues ---    0.05369   0.05390   0.05426   0.05431   0.05453
     Eigenvalues ---    0.05481   0.05540   0.05546   0.05595   0.05768
     Eigenvalues ---    0.05873   0.06329   0.06755   0.06905   0.07097
     Eigenvalues ---    0.07469   0.07521   0.07597   0.07748   0.08169
     Eigenvalues ---    0.08531   0.09082   0.09222   0.09353   0.09416
     Eigenvalues ---    0.09649   0.09794   0.10102   0.10803   0.11145
     Eigenvalues ---    0.11665   0.12174   0.12786   0.12830   0.13004
     Eigenvalues ---    0.13137   0.13310   0.14791   0.15330   0.15731
     Eigenvalues ---    0.15922   0.15969   0.15977   0.15988   0.15989
     Eigenvalues ---    0.15992   0.15997   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16002   0.16003
     Eigenvalues ---    0.16007   0.16011   0.16019   0.16053   0.16085
     Eigenvalues ---    0.16144   0.16222   0.16290   0.17133   0.17408
     Eigenvalues ---    0.18339   0.18738   0.20053   0.20394   0.21379
     Eigenvalues ---    0.21597   0.21982   0.22238   0.22334   0.22383
     Eigenvalues ---    0.22752   0.22843   0.23189   0.23393   0.23648
     Eigenvalues ---    0.23868   0.24308   0.24604   0.24718   0.24943
     Eigenvalues ---    0.25007   0.25203   0.26396   0.27303   0.27497
     Eigenvalues ---    0.27706   0.28138   0.28244   0.28423   0.30201
     Eigenvalues ---    0.30632   0.30926   0.31386   0.31522   0.31775
     Eigenvalues ---    0.33611   0.33615   0.33634   0.33652   0.33662
     Eigenvalues ---    0.33701   0.33720   0.33792   0.33823   0.33888
     Eigenvalues ---    0.33924   0.33936   0.33945   0.33984   0.33988
     Eigenvalues ---    0.34005   0.34027   0.34046   0.34075   0.34085
     Eigenvalues ---    0.34114   0.34132   0.34174   0.34176   0.34189
     Eigenvalues ---    0.34234   0.34242   0.34251   0.34303   0.34615
     Eigenvalues ---    0.35636   0.35704   0.35761   0.36047   0.36239
     Eigenvalues ---    0.36340   0.36471   0.36593   0.38919   0.39281
     Eigenvalues ---    0.39376   0.42259   0.42561   0.42670   0.45064
     Eigenvalues ---    0.45280   0.45391   0.45464   0.45479   0.45583
     Eigenvalues ---    0.45593   0.45637   0.45733   0.48912   0.49089
     Eigenvalues ---    0.49439   0.49625   0.49897   0.52325   0.54600
     Eigenvalues ---    0.54839   0.54906   0.55767   0.69543   0.73188
     Eigenvalues ---    0.762541000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    15   14   13   12
 RFO step:  Lambda=-1.16769745D-03.
 EnCoef did   100 forward-backward iterations
 DidBck=T Rises=F  En-DIIS coefs:    0.72857    0.00719    0.00081    0.26344
 Iteration  1 RMS(Cart)=  0.10934339 RMS(Int)=  0.00638368
 Iteration  2 RMS(Cart)=  0.00984967 RMS(Int)=  0.00314163
 New curvilinear step failed, DQL= 8.47D-04 SP=-4.94D-02.
 ITry= 1 IFail=1 DXMaxC= 7.95D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.09464535 RMS(Int)=  0.00533816
 Iteration  2 RMS(Cart)=  0.00729340 RMS(Int)=  0.00323914
 New curvilinear step failed, DQL= 6.41D-04 SP=-8.29D-02.
 ITry= 2 IFail=1 DXMaxC= 6.94D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08101220 RMS(Int)=  0.00454526
 Iteration  2 RMS(Cart)=  0.00514241 RMS(Int)=  0.00330101
 New curvilinear step failed, DQL= 6.55D-04 SP=-7.73D-02.
 ITry= 3 IFail=1 DXMaxC= 5.92D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06909425 RMS(Int)=  0.00399092
 Iteration  2 RMS(Cart)=  0.00346522 RMS(Int)=  0.00332602
 New curvilinear step failed, DQL= 7.45D-04 SP=-5.76D-02.
 ITry= 4 IFail=1 DXMaxC= 4.90D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06000847 RMS(Int)=  0.00364551
 Iteration  2 RMS(Cart)=  0.00241033 RMS(Int)=  0.00331354
 New curvilinear step failed, DQL= 7.65D-04 SP=-4.47D-02.
 ITry= 5 IFail=1 DXMaxC= 3.88D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05535700 RMS(Int)=  0.00346617
 Iteration  2 RMS(Cart)=  0.00221463 RMS(Int)=  0.00326334
 New curvilinear step failed, DQL= 5.19D-04 SP=-5.19D-02.
 ITry= 6 IFail=1 DXMaxC= 2.85D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05582964 RMS(Int)=  0.00343183
 Iteration  2 RMS(Cart)=  0.00268332 RMS(Int)=  0.00317519
 New curvilinear step failed, DQL= 2.02D-04 SP=-1.54D-01.
 ITry= 7 IFail=1 DXMaxC= 2.57D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06143673 RMS(Int)=  0.00362169
 Iteration  2 RMS(Cart)=  0.00370658 RMS(Int)=  0.00304946
 New curvilinear step failed, DQL= 5.02D-04 SP=-6.26D-02.
 ITry= 8 IFail=1 DXMaxC= 2.74D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07044247 RMS(Int)=  0.00411377
 Iteration  2 RMS(Cart)=  0.00572858 RMS(Int)=  0.00288701
 Iteration  3 RMS(Cart)=  0.00002025 RMS(Int)=  0.00288701
 New curvilinear step failed, DQL= 9.77D-04 SP=-2.12D-05.
 ITry= 9 IFail=1 DXMaxC= 3.12D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08151254 RMS(Int)=  0.00505586
 Iteration  2 RMS(Cart)=  0.00855592 RMS(Int)=  0.00268885
 Iteration  3 RMS(Cart)=  0.00030804 RMS(Int)=  0.00268843
 Iteration  4 RMS(Cart)=  0.00000078 RMS(Int)=  0.00268843
 ITry=10 IFail=0 DXMaxC= 3.79D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48446   0.00035   0.00002   0.00000   0.00000   8.48446
    Y1       -0.92756  -0.00159  -0.00002   0.00000   0.00000  -0.92756
    Z1        7.47498  -0.00066   0.00001   0.00000   0.00000   7.47498
    X8       10.19810  -0.00275  -0.00001   0.00000   0.00000  10.19810
    Y8        1.20615   0.00535   0.00002   0.00000   0.00000   1.20615
    Z8        0.50973  -0.00416  -0.00002   0.00000   0.00000   0.50973
   X14        7.21037   0.00111   0.00001   0.00000   0.00000   7.21037
   Y14       -7.64137   0.00139  -0.00001   0.00000   0.00000  -7.64137
   Z14       -3.84253   0.00066   0.00001   0.00000   0.00000  -3.84253
   X21       -6.13875  -0.00137  -0.00001   0.00000   0.00000  -6.13875
   Y21       -9.38869   0.00053   0.00000   0.00000   0.00000  -9.38869
   Z21        4.09469   0.00030  -0.00001   0.00000   0.00000   4.09469
    R1        2.93747  -0.00047  -0.00406   0.00483  -0.00839   2.92908
    R2        2.07332  -0.00032  -0.00026  -0.00058  -0.00061   2.07272
    R3        2.06820   0.00026   0.00069  -0.00013  -0.00059   2.06761
    R4        2.07002   0.00121   0.00030   0.00406   0.00485   2.07488
    R5        2.85219  -0.00004   0.00132  -0.00330   0.00104   2.85322
    R6        2.07154   0.00027   0.00183  -0.00181   0.00166   2.07320
    R7        2.07881  -0.00004   0.00015  -0.00093   0.00006   2.07887
    R8        2.63336  -0.00243  -0.00035  -0.00792  -0.00473   2.62863
    R9        2.65390   0.00065  -0.00161   0.00477   0.00121   2.65510
   R10        2.66080   0.00070   0.00027  -0.00227  -0.00212   2.65869
   R11        2.03734  -0.00056  -0.00055  -0.00174  -0.00069   2.03665
   R12        2.59222   0.00185   0.00139   0.00538   0.00490   2.59712
   R13        1.91231   0.00007  -0.00009   0.00029  -0.00003   1.91228
   R14        2.52971   0.00056   0.00252  -0.00456   0.00181   2.53152
   R15        2.03874  -0.00095  -0.00193   0.00117  -0.00179   2.03695
   R16        4.42360  -0.00237   0.09093  -0.22039   0.06705   4.49066
   R17        2.90471   0.00429   0.00526   0.00834   0.01640   2.92111
   R18        2.07369  -0.00075  -0.00142  -0.00115  -0.00306   2.07063
   R19        2.07809   0.00001   0.00055  -0.00129   0.00081   2.07889
   R20        2.08177  -0.00165  -0.00181  -0.00302  -0.00645   2.07532
   R21        2.91813   0.00281   0.00243   0.00681   0.00763   2.92576
   R22        2.07828  -0.00067  -0.00069  -0.00078  -0.00077   2.07751
   R23        2.07111   0.00042   0.00065  -0.00019   0.00064   2.07175
   R24        2.87350  -0.00138   0.00003  -0.00237  -0.00134   2.87216
   R25        2.07075  -0.00017   0.00023  -0.00037   0.00021   2.07096
   R26        2.07861  -0.00034  -0.00006  -0.00099  -0.00015   2.07846
   R27        2.40104   0.00201   0.00414  -0.00069   0.00174   2.40277
   R28        2.55717  -0.00496  -0.01122   0.01207  -0.00641   2.55076
   R29        3.66216   0.00288  -0.03260   0.11214  -0.02601   3.63615
   R30        2.33950   0.00430  -0.01371   0.02599  -0.00925   2.33025
   R31        2.92782  -0.00063  -0.00343   0.00293  -0.00538   2.92244
   R32        2.07016   0.00003   0.00075  -0.00108  -0.00128   2.06888
   R33        2.07150  -0.00003  -0.00055   0.00103   0.00086   2.07236
   R34        2.07069   0.00080   0.00087   0.00152   0.00296   2.07364
   R35        2.85103  -0.00044  -0.00090   0.00012  -0.00222   2.84880
   R36        2.07727  -0.00001   0.00092  -0.00176   0.00077   2.07804
   R37        2.07791   0.00002   0.00078  -0.00159   0.00064   2.07856
   R38        2.61914   0.00084   0.00040   0.00000   0.00204   2.62118
   R39        2.65560  -0.00051   0.00125  -0.00422  -0.00030   2.65530
   R40        2.65475  -0.00060   0.00078  -0.00178   0.00043   2.65518
   R41        2.04290  -0.00257  -0.00270  -0.00542  -0.00323   2.03967
   R42        2.60139  -0.00154  -0.00242   0.00002  -0.00423   2.59716
   R43        1.91279  -0.00004  -0.00009   0.00002  -0.00008   1.91271
   R44        2.53119   0.00015  -0.00043   0.00191  -0.00030   2.53089
   R45        2.03502   0.00047   0.00008   0.00206   0.00029   2.03531
   R46        4.13860  -0.00152  -0.01612   0.00544  -0.01621   4.12239
   R47        2.91739   0.00042  -0.00007   0.00206   0.00257   2.91996
   R48        2.07318  -0.00016  -0.00035   0.00015  -0.00059   2.07260
   R49        2.07374  -0.00048  -0.00041  -0.00143  -0.00151   2.07223
   R50        2.07055   0.00011   0.00006   0.00028   0.00001   2.07056
   R51        2.84639  -0.00109  -0.00206   0.00175  -0.00179   2.84460
   R52        2.07949  -0.00027   0.00028  -0.00189   0.00010   2.07958
   R53        2.07790   0.00024   0.00012   0.00075   0.00020   2.07810
   R54        2.61737   0.00033  -0.00012   0.00275  -0.00128   2.61608
   R55        2.65633   0.00001   0.00000   0.00017   0.00091   2.65724
   R56        2.65096  -0.00146  -0.00253   0.00213  -0.00307   2.64789
   R57        2.03221   0.00053   0.00072   0.00049   0.00078   2.03299
   R58        2.59845   0.00095   0.00163  -0.00211   0.00255   2.60101
   R59        1.91251   0.00018   0.00016   0.00026   0.00020   1.91270
   R60        2.52435   0.00073   0.00009   0.00293   0.00027   2.52462
   R61        2.03792  -0.00014  -0.00041   0.00044  -0.00035   2.03757
   R62        3.93950   0.00150  -0.00393   0.03215  -0.00135   3.93816
   R63        3.69233   0.00348   0.00887   0.01656   0.00739   3.69972
   R64        4.27375  -0.00192  -0.03742   0.04271  -0.03466   4.23909
   R65        4.88515  -0.00174  -0.05439   0.04144  -0.05196   4.83319
   R66        1.87437  -0.00215   0.00098  -0.00774  -0.00174   1.87264
   R67        2.23128  -0.00010   0.02374  -0.03990   0.02005   2.25134
   R68        2.40254  -0.00131  -0.00133  -0.00073  -0.00107   2.40147
   R69        2.57236   0.00082  -0.00080   0.00445   0.00227   2.57463
   R70        2.86498   0.00050   0.00207  -0.00135   0.00195   2.86693
   R71        2.76522   0.00050   0.00060   0.00252   0.00333   2.76856
   R72        1.91400  -0.00007  -0.00010  -0.00012  -0.00009   1.91391
   R73        2.90721   0.00122   0.00062   0.00539   0.00259   2.90980
   R74        2.07478  -0.00073  -0.00010  -0.00185  -0.00028   2.07450
   R75        2.06793  -0.00005   0.00024  -0.00131   0.00012   2.06805
   R76        2.40977  -0.00057  -0.00033  -0.00175  -0.00196   2.40781
   R77        2.56278  -0.00004  -0.00274   0.00405  -0.00232   2.56046
   R78        1.92420  -0.00040  -0.00115   0.00074  -0.00106   1.92314
   R79        2.78741  -0.00123  -0.00354   0.00238  -0.00330   2.78412
   R80        2.06662   0.00073   0.00132   0.00019   0.00136   2.06798
   R81        2.06264  -0.00005  -0.00005   0.00010  -0.00002   2.06262
   R82        2.07000   0.00036   0.00025   0.00046   0.00031   2.07031
   R83        2.07325  -0.00045  -0.00068  -0.00058  -0.00073   2.07252
   R84        2.06690   0.00051   0.00079   0.00034   0.00084   2.06774
   R85        2.06858   0.00001  -0.00006   0.00032  -0.00001   2.06856
    A1        1.91919   0.00037   0.00094   0.00201   0.00285   1.92203
    A2        1.93758  -0.00046   0.00130  -0.00721   0.00287   1.94046
    A3        1.93863   0.00048   0.00024   0.00309  -0.00016   1.93847
    A4        1.88791   0.00012  -0.00146   0.00438   0.00003   1.88794
    A5        1.89205  -0.00053  -0.00036  -0.00468  -0.00339   1.88866
    A6        1.88702   0.00000  -0.00079   0.00249  -0.00244   1.88458
    A7        1.99967   0.00043   0.00231  -0.00608   0.00444   2.00411
    A8        1.90766  -0.00007  -0.00042  -0.00665  -0.00437   1.90328
    A9        1.89580  -0.00026  -0.00136   0.00952   0.00117   1.89697
   A10        1.90733  -0.00036   0.00130  -0.01228  -0.00061   1.90672
   A11        1.89686   0.00006  -0.00143   0.01158  -0.00103   1.89582
   A12        1.85065   0.00018  -0.00067   0.00506   0.00013   1.85078
   A13        2.35687  -0.00438  -0.00273  -0.02311  -0.01020   2.34667
   A14        2.10414   0.00362   0.00259   0.02119   0.01031   2.11445
   A15        1.82183   0.00078   0.00013   0.00205  -0.00013   1.82171
   A16        1.91906   0.00086   0.00276   0.00001   0.00414   1.92320
   A17        2.28040  -0.00361  -0.01247  -0.00754  -0.01382   2.26658
   A18        2.08368   0.00275   0.00942   0.00761   0.00950   2.09319
   A19        1.90362  -0.00104  -0.00127  -0.00375  -0.00170   1.90192
   A20        2.17882   0.00090   0.00260   0.00018   0.00266   2.18147
   A21        2.20074   0.00013  -0.00133   0.00357  -0.00097   2.19977
   A22        1.92359   0.00009   0.00236  -0.00196  -0.00039   1.92321
   A23        2.16351  -0.00002  -0.00368   0.00769  -0.00172   2.16179
   A24        2.19591  -0.00007   0.00136  -0.00572   0.00213   2.19804
   A25        1.85660  -0.00068  -0.00401   0.00363  -0.00188   1.85472
   A26        2.12519   0.00508   0.03847  -0.03044   0.02493   2.15012
   A27        2.29736  -0.00440  -0.04493   0.02849  -0.02943   2.26793
   A28        1.95382  -0.00173  -0.00921  -0.00644  -0.01235   1.94148
   A29        1.92744   0.00146   0.00418   0.00527   0.00123   1.92867
   A30        1.93136  -0.00012   0.00041   0.00294  -0.00020   1.93116
   A31        1.90817  -0.00069  -0.00329  -0.01053  -0.00352   1.90465
   A32        1.86922   0.00101   0.00563   0.00132   0.00965   1.87887
   A33        1.87109   0.00011   0.00262   0.00777   0.00604   1.87713
   A34        1.95763   0.00193   0.00612   0.00417   0.01301   1.97064
   A35        1.91068   0.00006   0.00327  -0.00438   0.00142   1.91210
   A36        1.91712  -0.00105  -0.00551   0.00414  -0.00788   1.90924
   A37        1.90185  -0.00110  -0.00374  -0.00179  -0.00555   1.89629
   A38        1.89784  -0.00011   0.00110   0.00003  -0.00057   1.89727
   A39        1.87689   0.00021  -0.00159  -0.00246  -0.00100   1.87589
   A40        1.93479  -0.00169   0.00344  -0.00521  -0.00058   1.93421
   A41        1.94168   0.00065   0.00124  -0.00242   0.00210   1.94378
   A42        1.91887  -0.00002  -0.00086  -0.00403  -0.00050   1.91837
   A43        1.89528   0.00030  -0.00218   0.00137  -0.00130   1.89398
   A44        1.89461   0.00081   0.00060   0.00213   0.00231   1.89692
   A45        1.87702   0.00002  -0.00247   0.00875  -0.00205   1.87497
   A46        2.13231  -0.00243  -0.00656   0.00248  -0.01157   2.12074
   A47        2.03266   0.00097   0.00345  -0.00533   0.00551   2.03816
   A48        2.11714   0.00142   0.00281   0.00161   0.00555   2.12269
   A49        1.79734   0.00039  -0.00507   0.00465  -0.00759   1.78975
   A50        1.83111  -0.00099   0.00754  -0.00163   0.00993   1.84104
   A51        1.93836   0.00036  -0.00065   0.00397   0.00157   1.93993
   A52        1.92083   0.00058   0.00049   0.00340   0.00085   1.92169
   A53        1.93767  -0.00017   0.00196  -0.00521   0.00114   1.93880
   A54        1.90196  -0.00075  -0.00347  -0.00523  -0.00355   1.89841
   A55        1.88488  -0.00005   0.00074   0.00030   0.00080   1.88568
   A56        1.87859  -0.00001   0.00084   0.00262  -0.00100   1.87759
   A57        1.96903   0.00132   0.00436  -0.00128   0.00193   1.97096
   A58        1.91371  -0.00097  -0.00480  -0.00217  -0.00606   1.90766
   A59        1.89659   0.00033   0.00393   0.00049   0.00647   1.90306
   A60        1.90296   0.00022  -0.00226   0.01267  -0.00036   1.90260
   A61        1.92175  -0.00118  -0.00155  -0.00997  -0.00193   1.91982
   A62        1.85643   0.00020   0.00000   0.00026  -0.00024   1.85619
   A63        2.32600  -0.00191   0.00152  -0.01860   0.00165   2.32765
   A64        2.13050   0.00217  -0.00127   0.01750  -0.00187   2.12863
   A65        1.82616  -0.00025  -0.00051   0.00081   0.00070   1.82687
   A66        1.91800   0.00025   0.00025   0.00275  -0.00141   1.91660
   A67        2.26335  -0.00159  -0.00534  -0.00950  -0.00533   2.25802
   A68        2.10182   0.00135   0.00501   0.00672   0.00666   2.10848
   A69        1.90261  -0.00015  -0.00031  -0.00159  -0.00088   1.90173
   A70        2.17979   0.00055   0.00243   0.00139   0.00278   2.18257
   A71        2.20034  -0.00039  -0.00216   0.00081  -0.00192   2.19841
   A72        1.91277   0.00109   0.00177   0.00338   0.00274   1.91551
   A73        2.18582  -0.00081  -0.00125  -0.00598  -0.00217   2.18365
   A74        2.18428  -0.00029  -0.00057   0.00218  -0.00065   2.18362
   A75        1.86502  -0.00092  -0.00116  -0.00464  -0.00107   1.86394
   A76        2.18751   0.00021  -0.00010   0.00579   0.00398   2.19148
   A77        2.17954   0.00082   0.00584  -0.00108   0.00172   2.18126
   A78        1.94356  -0.00045  -0.00064  -0.00234  -0.00153   1.94204
   A79        1.94081   0.00030   0.00030   0.00087   0.00013   1.94094
   A80        1.92926  -0.00058  -0.00154  -0.00210  -0.00248   1.92678
   A81        1.88845   0.00010   0.00078   0.00069   0.00166   1.89011
   A82        1.87254   0.00056   0.00306  -0.00062   0.00322   1.87577
   A83        1.88677   0.00010  -0.00187   0.00368  -0.00081   1.88596
   A84        1.95086  -0.00019  -0.00328   0.01198  -0.00296   1.94790
   A85        1.91523  -0.00028  -0.00370   0.00526  -0.00321   1.91202
   A86        1.90046   0.00058   0.00529  -0.00910   0.00496   1.90542
   A87        1.90965   0.00064   0.00219   0.00528   0.00299   1.91264
   A88        1.92935  -0.00073  -0.00074  -0.01284  -0.00181   1.92754
   A89        1.85587  -0.00002   0.00039  -0.00123   0.00015   1.85602
   A90        2.28599   0.00003  -0.00338   0.01330  -0.00400   2.28199
   A91        2.16786  -0.00013   0.00355  -0.01110   0.00458   2.17244
   A92        1.82815   0.00013   0.00000   0.00100  -0.00012   1.82803
   A93        1.91538   0.00008  -0.00005  -0.00120   0.00044   1.91582
   A94        2.25151   0.00015   0.00114  -0.00070   0.00076   2.25227
   A95        2.11622  -0.00023  -0.00109   0.00211  -0.00118   2.11505
   A96        1.89877  -0.00015   0.00005  -0.00009   0.00006   1.89883
   A97        2.19302   0.00001   0.00016  -0.00075   0.00014   2.19316
   A98        2.19134   0.00013  -0.00027   0.00057  -0.00016   2.19118
   A99        1.91516  -0.00067  -0.00165   0.00157  -0.00242   1.91274
   A100       2.19107   0.00019   0.00038  -0.00113   0.00077   2.19184
   A101       2.17555   0.00054   0.00165   0.00150   0.00235   2.17790
   A102       1.86713   0.00062   0.00167  -0.00111   0.00217   1.86930
   A103       2.14792   0.00192  -0.00460   0.02406  -0.00606   2.14186
   A104       2.26487  -0.00254   0.00345  -0.02769   0.00583   2.27070
   A105       1.72897  -0.00002  -0.01735   0.02539  -0.01321   1.71575
   A106       1.48437   0.00062  -0.00598   0.02098  -0.00672   1.47766
   A107       1.55904  -0.00110  -0.02629   0.01898  -0.02344   1.53560
   A108       2.96670  -0.00059   0.01977  -0.03696   0.02000   2.98670
   A109       1.64329  -0.00041   0.03796  -0.05806   0.03494   1.67823
   A110       1.67321  -0.00070   0.01838  -0.01925   0.01927   1.69249
   A111       1.58052   0.00130   0.01833  -0.01902   0.01589   1.59641
   A112       1.56743   0.00049  -0.01695   0.02852  -0.02050   1.54693
   A113       2.91055   0.00044  -0.02071   0.03300  -0.02144   2.88911
   A114       3.00281  -0.00072  -0.04794   0.05274  -0.04419   2.95863
   A115       1.56098  -0.00094   0.00478  -0.00057  -0.00723   1.55376
   A116       1.47429   0.00074  -0.00450   0.01762  -0.00883   1.46546
   A117       1.66292   0.00128   0.03037  -0.03987   0.03725   1.70017
   A118       1.57689  -0.00129  -0.01890   0.00767  -0.01624   1.56065
   A119       1.34319  -0.00004  -0.00261   0.00446  -0.00038   1.34282
   A120       2.18218  -0.00136  -0.06105   0.06376  -0.06300   2.11918
   A121       2.41097  -0.00059   0.07489  -0.10335   0.07247   2.48344
   A122       1.67774   0.00197  -0.01077   0.03007  -0.00307   1.67467
   A123       2.24215  -0.00256   0.02231  -0.05010   0.02102   2.26317
   A124       2.83615   0.00010  -0.01587   0.03201  -0.02541   2.81074
   A125       2.13148   0.00218   0.00517  -0.00714   0.00411   2.13559
   A126       2.10651  -0.00085  -0.00262   0.00558  -0.00191   2.10460
   A127       2.04486  -0.00132  -0.00248   0.00159  -0.00212   2.04274
   A128       2.45319  -0.00123   0.00390  -0.02389  -0.00268   2.45051
   A129       2.15307   0.00001   0.00502  -0.01327   0.00535   2.15841
   A130       2.06883  -0.00030  -0.00359   0.00588  -0.00388   2.06495
   A131       2.06056   0.00028  -0.00147   0.00841  -0.00140   2.05916
   A132       1.98606  -0.00041  -0.00080  -0.01551  -0.00269   1.98337
   A133       1.90951  -0.00056   0.00015  -0.00677  -0.00097   1.90854
   A134       1.89404   0.00015  -0.00054   0.00647   0.00077   1.89480
   A135       1.85651   0.00013  -0.00339   0.00581  -0.00180   1.85470
   A136       1.91749   0.00070   0.00566   0.00624   0.00547   1.92296
   A137       1.89856   0.00000  -0.00119   0.00431  -0.00082   1.89774
   A138       2.13412  -0.00247  -0.00797  -0.01274  -0.01310   2.12102
   A139       1.99974   0.00176   0.00325   0.01151   0.00641   2.00615
   A140       2.14902   0.00069   0.00409   0.00009   0.00614   2.15515
   A141       1.78426   0.00317   0.01259   0.00792   0.01203   1.79629
   A142       2.06486  -0.00098   0.00115  -0.00883   0.00105   2.06591
   A143       2.14803  -0.00097   0.00080  -0.00477   0.00103   2.14905
   A144       2.00655   0.00209   0.00899   0.00298   0.00996   2.01651
   A145       1.90721   0.00044   0.00495  -0.00534   0.00441   1.91162
   A146       1.90177  -0.00030  -0.00170  -0.00159  -0.00185   1.89991
   A147       1.91661   0.00134   0.00064   0.01095   0.00175   1.91836
   A148       1.91489  -0.00024  -0.00134  -0.00153  -0.00149   1.91340
   A149       1.91294  -0.00071  -0.00101  -0.00295  -0.00129   1.91165
   A150       1.91035  -0.00054  -0.00158   0.00048  -0.00153   1.90883
   A151       1.90111   0.00018   0.00046   0.00370   0.00083   1.90194
   A152       1.90944  -0.00020  -0.00100  -0.00249  -0.00125   1.90819
   A153       1.97504   0.00006   0.00076  -0.00046   0.00071   1.97575
   A154       1.87709  -0.00001   0.00017  -0.00107   0.00006   1.87715
   A155       1.89232   0.00009   0.00071   0.00127   0.00084   1.89316
   A156       1.90629  -0.00012  -0.00111  -0.00093  -0.00120   1.90509
    D1        3.12441  -0.00002   0.00326   0.00973   0.00514   3.12954
    D2        0.97739   0.00020   0.00021   0.03531   0.00615   0.98354
    D3       -1.03440   0.00016   0.00196   0.02767   0.00770  -1.02670
    D4        1.03586  -0.00011   0.00363   0.00756   0.00140   1.03726
    D5       -1.11116   0.00010   0.00058   0.03314   0.00241  -1.10875
    D6       -3.12295   0.00006   0.00233   0.02550   0.00397  -3.11898
    D7       -1.06439  -0.00013   0.00358   0.00718   0.00266  -1.06173
    D8        3.07178   0.00008   0.00053   0.03276   0.00367   3.07545
    D9        1.05999   0.00004   0.00228   0.02512   0.00523   1.06522
   D10       -1.48161  -0.00055   0.15043  -0.31522   0.12245  -1.35916
   D11        1.69305  -0.00108   0.15083  -0.32174   0.12308   1.81613
   D12        0.66558  -0.00062   0.15256  -0.33777   0.11942   0.78500
   D13       -2.44294  -0.00114   0.15297  -0.34429   0.12005  -2.32289
   D14        2.67777  -0.00056   0.15169  -0.33204   0.11869   2.79645
   D15       -0.43075  -0.00109   0.15209  -0.33856   0.11931  -0.31144
   D16       -3.11928   0.00000   0.00705  -0.00585   0.01065  -3.10863
   D17        0.01217  -0.00034  -0.00390   0.00404  -0.00197   0.01020
   D18       -0.00709   0.00052   0.00674   0.00029   0.01028   0.00319
   D19        3.12436   0.00019  -0.00421   0.01018  -0.00235   3.12202
   D20        3.12832  -0.00021  -0.00738   0.00494  -0.01077   3.11755
   D21       -0.01012  -0.00009  -0.00696   0.00113  -0.00760  -0.01773
   D22        0.01086  -0.00048  -0.00701   0.00076  -0.01006   0.00079
   D23       -3.12759  -0.00036  -0.00659  -0.00305  -0.00690  -3.13449
   D24        0.00072  -0.00038  -0.00397  -0.00127  -0.00678  -0.00605
   D25        3.05631  -0.00070  -0.06490   0.01846  -0.06159   2.99472
   D26       -3.13204  -0.00005   0.00628  -0.00979   0.00456  -3.12748
   D27       -0.07645  -0.00037  -0.05465   0.00994  -0.05025  -0.12671
   D28       -0.01106   0.00027   0.00491  -0.00160   0.00636  -0.00470
   D29       -3.13388   0.00001   0.00166  -0.00208   0.00545  -3.12844
   D30        3.12734   0.00015   0.00450   0.00226   0.00316   3.13049
   D31        0.00452  -0.00012   0.00125   0.00178   0.00225   0.00676
   D32        0.00631   0.00007  -0.00062   0.00177   0.00019   0.00650
   D33       -3.03741  -0.00026   0.04875  -0.01636   0.05612  -2.98129
   D34        3.12870   0.00034   0.00269   0.00244   0.00107   3.12978
   D35        0.08498   0.00001   0.05206  -0.01569   0.05701   0.14199
   D36        1.75451   0.00020  -0.04771   0.00285  -0.04529   1.70922
   D37       -2.86766  -0.00041  -0.02837  -0.01535  -0.02572  -2.89338
   D38        0.17574  -0.00094  -0.06395   0.01935  -0.05808   0.11766
   D39       -1.87554  -0.00043  -0.26690   0.26419  -0.23532  -2.11086
   D40       -1.40031   0.00042  -0.03832   0.00962  -0.03882  -1.43913
   D41       -1.49757   0.00020  -0.11399   0.02554  -0.11146  -1.60903
   D42        0.16344  -0.00041  -0.09465   0.00735  -0.09188   0.07156
   D43       -3.07635  -0.00094  -0.13023   0.04204  -0.12424   3.08259
   D44        1.15557  -0.00043  -0.33318   0.28688  -0.30149   0.85408
   D45        1.63079   0.00042  -0.10460   0.03231  -0.10498   1.52581
   D46        1.04084   0.00003   0.04980   0.03709   0.05131   1.09215
   D47       -3.12900  -0.00005   0.05148   0.03456   0.05389  -3.07512
   D48       -1.07186  -0.00038   0.04822   0.03140   0.04887  -1.02298
   D49       -1.08968   0.00108   0.05738   0.05130   0.06337  -1.02631
   D50        1.02366   0.00100   0.05906   0.04877   0.06595   1.08961
   D51        3.08080   0.00067   0.05579   0.04562   0.06094  -3.14144
   D52        3.12452   0.00009   0.05113   0.03649   0.05522  -3.10345
   D53       -1.04533   0.00001   0.05281   0.03396   0.05780  -0.98753
   D54        1.01182  -0.00032   0.04954   0.03080   0.05279   1.06460
   D55       -0.97996   0.00034   0.01247  -0.01000   0.01278  -0.96718
   D56        1.13093   0.00001   0.01291  -0.01345   0.01215   1.14308
   D57       -3.07487   0.00042   0.01007  -0.00669   0.01060  -3.06427
   D58       -3.09838  -0.00024   0.00693  -0.00596   0.00634  -3.09204
   D59       -0.98749  -0.00057   0.00737  -0.00942   0.00571  -0.98178
   D60        1.08990  -0.00015   0.00453  -0.00266   0.00416   1.09405
   D61        1.14382   0.00019   0.01028  -0.00205   0.01091   1.15473
   D62       -3.02848  -0.00014   0.01072  -0.00550   0.01028  -3.01820
   D63       -0.95109   0.00027   0.00788   0.00125   0.00873  -0.94236
   D64       -0.80579   0.00063   0.07534  -0.08458   0.06805  -0.73774
   D65        2.28662  -0.00037   0.06978  -0.11285   0.05764   2.34425
   D66       -2.94388   0.00071   0.07305  -0.07913   0.06668  -2.87721
   D67        0.14852  -0.00029   0.06749  -0.10740   0.05626   0.20479
   D68        1.30353   0.00008   0.07682  -0.09142   0.06857   1.37210
   D69       -1.88724  -0.00091   0.07127  -0.11969   0.05815  -1.82909
   D70        2.79021  -0.00044  -0.00099   0.00042  -0.00812   2.78209
   D71       -0.29985   0.00062   0.00484   0.03023   0.00284  -0.29701
   D72       -2.86239   0.00021   0.00376   0.02034   0.01377  -2.84862
   D73        0.23047  -0.00089  -0.00214  -0.00763   0.00283   0.23330
   D74        0.18266  -0.00056  -0.01322  -0.03476  -0.01957   0.16309
   D75        0.32266  -0.00019  -0.01100  -0.05724  -0.02278   0.29988
   D76       -1.03006  -0.00043   0.00083  -0.01657   0.00022  -1.02984
   D77        1.09445   0.00006  -0.00258  -0.00277  -0.00327   1.09118
   D78        3.11685  -0.00004  -0.00306  -0.00337  -0.00327   3.11358
   D79       -3.13776  -0.00011   0.00527  -0.01486   0.00307  -3.13469
   D80       -1.01325   0.00038   0.00186  -0.00106  -0.00041  -1.01367
   D81        1.00915   0.00028   0.00138  -0.00166  -0.00042   1.00873
   D82        1.06736  -0.00037   0.00265  -0.01702   0.00305   1.07041
   D83       -3.09131   0.00012  -0.00076  -0.00322  -0.00043  -3.09175
   D84       -1.06891   0.00002  -0.00124  -0.00382  -0.00044  -1.06935
   D85       -0.72647   0.00044   0.14982  -0.11263   0.13621  -0.59026
   D86        2.45559  -0.00010   0.12046  -0.10163   0.10700   2.56258
   D87       -2.85704   0.00063   0.15466  -0.11804   0.14289  -2.71415
   D88        0.32501   0.00009   0.12531  -0.10703   0.11369   0.43870
   D89        1.39563   0.00092   0.15682  -0.12005   0.14448   1.54011
   D90       -1.70550   0.00039   0.12746  -0.10905   0.11527  -1.59023
   D91       -3.12128   0.00039  -0.02467   0.03954  -0.02300   3.13890
   D92        0.02600   0.00015  -0.01850   0.04450  -0.01419   0.01181
   D93       -0.01512   0.00091   0.00108   0.03029   0.00256  -0.01256
   D94        3.13216   0.00067   0.00724   0.03525   0.01137  -3.13965
   D95        3.13084  -0.00066   0.01983  -0.04201   0.01786  -3.13448
   D96       -0.04153  -0.00010   0.01825  -0.02150   0.01705  -0.02448
   D97        0.01969  -0.00101  -0.00217  -0.03320  -0.00413   0.01557
   D98        3.13051  -0.00045  -0.00376  -0.01268  -0.00494   3.12557
   D99        0.00504  -0.00048   0.00043  -0.01652  -0.00005   0.00499
   D100      -2.81034  -0.00099  -0.01621  -0.01616  -0.01483  -2.82517
   D101       3.14156  -0.00028  -0.00527  -0.02100  -0.00803   3.13353
   D102       0.32618  -0.00079  -0.02190  -0.02064  -0.02280   0.30338
   D103      -0.01753   0.00074   0.00255   0.02444   0.00430  -0.01323
   D104       3.09828   0.00040   0.00094   0.00767   0.00081   3.09909
   D105      -3.12789   0.00016   0.00404   0.00361   0.00502  -3.12287
   D106      -0.01208  -0.00019   0.00242  -0.01316   0.00153  -0.01055
   D107       0.00769  -0.00017  -0.00181  -0.00504  -0.00259   0.00510
   D108       2.82496   0.00019   0.01357  -0.00376   0.01261   2.83757
   D109      -3.10814   0.00019  -0.00018   0.01186   0.00092  -3.10722
   D110      -0.29088   0.00055   0.01520   0.01314   0.01612  -0.27476
   D111      -0.50421   0.00090  -0.03984   0.08065  -0.03825  -0.54246
   D112      -2.00347   0.00038  -0.03366   0.05993  -0.03287  -2.03634
   D113       1.05623   0.00000  -0.06475   0.09705  -0.05973   0.99650
   D114       2.71913   0.00128  -0.03550   0.05749  -0.02299   2.69614
   D115       2.69503   0.00005  -0.07416   0.05945  -0.06901   2.62602
   D116       3.02053   0.00065  -0.05812   0.08134  -0.05525   2.96528
   D117       1.52127   0.00013  -0.05195   0.06062  -0.04987   1.47140
   D118      -1.70221  -0.00026  -0.08303   0.09774  -0.07673  -1.77894
   D119      -0.03931   0.00102  -0.05379   0.05818  -0.03999  -0.07930
   D120      -0.06341  -0.00021  -0.09244   0.06014  -0.08601  -0.14942
   D121      -1.09346   0.00045   0.01337   0.01501   0.01437  -1.07909
   D122       3.06787  -0.00005   0.01524  -0.00329   0.01475   3.08261
   D123       1.04312  -0.00020   0.01388   0.00041   0.01355   1.05667
   D124       1.01414   0.00048   0.01412   0.01488   0.01553   1.02967
   D125      -1.10772  -0.00002   0.01600  -0.00341   0.01591  -1.09181
   D126      -3.13246  -0.00017   0.01464   0.00029   0.01471  -3.11776
   D127       3.10997   0.00042   0.01096   0.01868   0.01294   3.12291
   D128       0.98811  -0.00008   0.01283   0.00039   0.01332   1.00144
   D129      -1.03663  -0.00023   0.01147   0.00409   0.01212  -1.02451
   D130       0.32322   0.00015  -0.10296   0.14638  -0.08793   0.23529
   D131      -2.75780  -0.00078  -0.10811   0.06459  -0.10104  -2.85884
   D132       2.44829   0.00012  -0.10829   0.16459  -0.09189   2.35640
   D133      -0.63272  -0.00081  -0.11344   0.08280  -0.10500  -0.73772
   D134      -1.79676   0.00005  -0.10693   0.15875  -0.09097  -1.88773
   D135       1.40541  -0.00088  -0.11208   0.07696  -0.10409   1.30133
   D136      -3.09541  -0.00065   0.00033  -0.06282  -0.00521  -3.10062
   D137       0.05884  -0.00064   0.00010  -0.08161  -0.00795   0.05089
   D138      -0.00562   0.00014   0.00482   0.00668   0.00613   0.00051
   D139      -3.13455   0.00015   0.00459  -0.01211   0.00338  -3.13116
   D140       3.10908   0.00023  -0.00398   0.05490   0.00073   3.10982
   D141      -0.04303   0.00030   0.00560   0.02801   0.00815  -0.03489
   D142       0.01477  -0.00050  -0.00791  -0.00944  -0.00937   0.00540
   D143      -3.13734  -0.00043   0.00167  -0.03633  -0.00196  -3.13930
   D144      -0.00574   0.00027   0.00007  -0.00144  -0.00063  -0.00637
   D145       3.05667   0.00009   0.03476  -0.06022   0.02827   3.08494
   D146       3.12435   0.00027   0.00029   0.01561   0.00188   3.12622
   D147      -0.09644   0.00009   0.03499  -0.04317   0.03078  -0.06566
   D148      -0.01917   0.00071   0.00836   0.00901   0.00948  -0.00970
   D149      -3.10576  -0.00044  -0.00403  -0.02882  -0.00632  -3.11209
   D150       3.13293   0.00064  -0.00120   0.03588   0.00207   3.13500
   D151       0.04634  -0.00051  -0.01359  -0.00195  -0.01372   0.03261
   D152       0.01520  -0.00059  -0.00517  -0.00465  -0.00543   0.00977
   D153      -3.04003  -0.00069  -0.04331   0.05612  -0.03647  -3.07650
   D154       3.10239   0.00053   0.00708   0.03267   0.01015   3.11255
   D155       0.04716   0.00043  -0.03106   0.09344  -0.02089   0.02627
   D156      -1.43383  -0.00022   0.05090  -0.03750   0.04920  -1.38462
   D157       0.28757  -0.00013   0.03103  -0.00862   0.03375   0.32132
   D158      -2.22140  -0.00047   0.04327  -0.06325   0.04005  -2.18136
   D159       1.85397   0.00027   0.01447   0.02019   0.01201   1.86598
   D160      -3.08614   0.00033   0.01122   0.02494   0.01227  -3.07387
   D161       1.60918  -0.00022   0.09423  -0.10852   0.08494   1.69412
   D162      -2.95262  -0.00013   0.07436  -0.07964   0.06949  -2.88313
   D163       0.82160  -0.00047   0.08659  -0.13427   0.07579   0.89738
   D164      -1.38621   0.00028   0.05780  -0.05083   0.04775  -1.33847
   D165      -0.04314   0.00034   0.05455  -0.04608   0.04801   0.00487
   D166       1.76761   0.00069  -0.09419   0.14735  -0.08091   1.68670
   D167      -1.16206   0.00034  -0.16856   0.22166  -0.14274  -1.30480
   D168       0.03874   0.00074  -0.07478   0.12161  -0.06702  -0.02828
   D169      -2.89093   0.00038  -0.14914   0.19591  -0.12884  -3.01978
   D170       2.55152   0.00101  -0.08554   0.17450  -0.07188   2.47964
   D171      -0.37816   0.00066  -0.15990   0.24881  -0.13370  -0.51186
   D172      -1.52957   0.00011  -0.06153   0.09510  -0.04876  -1.57833
   D173       1.82394  -0.00024  -0.13589   0.16941  -0.11058   1.71336
   D174      -2.87235   0.00029  -0.05379   0.08930  -0.04547  -2.91782
   D175       0.48116  -0.00006  -0.12815   0.16361  -0.10729   0.37387
   D176       0.65916  -0.00039   0.23527  -0.30860   0.20223   0.86139
   D177      -2.96427  -0.00101   0.01641  -0.04925   0.01378  -2.95049
   D178       1.64567  -0.00032  -0.00191  -0.02971  -0.00592   1.63975
   D179      -1.38401   0.00034   0.03158  -0.06562   0.02705  -1.35696
   D180       0.17166  -0.00129   0.00392  -0.04799   0.00148   0.17314
   D181       1.83304  -0.00106  -0.00796  -0.01315  -0.00138   1.83166
   D182      -1.36563  -0.00022   0.02655   0.00831   0.02894  -1.33669
   D183      -2.97347  -0.00033  -0.01944   0.01548  -0.01293  -2.98640
   D184       0.27358   0.00014   0.02297  -0.03244   0.02377   0.29736
   D185      -1.39037  -0.00147  -0.01314   0.01035  -0.01829  -1.40866
   D186      -2.95832  -0.00036  -0.03454   0.07054  -0.03021  -2.98853
   D187       0.04163  -0.00025   0.01107   0.00439   0.01935   0.06098
   D188       2.52936   0.00070   0.06928  -0.00029   0.05621   2.58557
   D189      -0.43813   0.00061   0.00629   0.05317   0.01076  -0.42737
   D190       0.61964   0.00043  -0.00717   0.06389  -0.00138   0.61826
   D191      -2.55085   0.00090  -0.00297   0.06571   0.00238  -2.54847
   D192       0.08167   0.00045   0.00355  -0.02168  -0.00021   0.08146
   D193      -3.10177   0.00050   0.00235   0.00779   0.00147  -3.10030
   D194      -3.03199  -0.00001  -0.00050  -0.02351  -0.00384  -3.03583
   D195       0.06776   0.00004  -0.00170   0.00596  -0.00217   0.06559
   D196      -1.12239  -0.00016   0.00582  -0.01281   0.00481  -1.11757
   D197       0.92497  -0.00018   0.00573  -0.01339   0.00466   0.92962
   D198       3.05476  -0.00044   0.00410  -0.01671   0.00270   3.05746
   D199       1.99170   0.00034   0.00988  -0.01122   0.00848   2.00018
   D200      -2.24414   0.00032   0.00978  -0.01180   0.00832  -2.23582
   D201      -0.11434   0.00006   0.00815  -0.01512   0.00636  -0.10798
   D202      -1.35111   0.00024   0.02574  -0.06206   0.01803  -1.33308
   D203       0.72250  -0.00025   0.02105  -0.06940   0.01335   0.73585
   D204       2.79164  -0.00049   0.01939  -0.06432   0.01225   2.80389
   D205       1.83214   0.00020   0.02698  -0.09134   0.01642   1.84856
   D206      -2.37743  -0.00029   0.02230  -0.09869   0.01174  -2.36569
   D207      -0.30829  -0.00053   0.02064  -0.09360   0.01064  -0.29765
   D208       0.50861  -0.00020  -0.02300   0.07661  -0.01631   0.49231
   D209      -2.65871  -0.00098  -0.03631   0.02836  -0.03380  -2.69251
   D210      -1.59503   0.00066  -0.02043   0.09040  -0.01226  -1.60729
   D211       1.52083  -0.00012  -0.03374   0.04215  -0.02976   1.49107
   D212       2.63612   0.00023  -0.02002   0.07880  -0.01312   2.62300
   D213      -0.53121  -0.00055  -0.03333   0.03055  -0.03062  -0.56183
   D214       1.15992   0.00024   0.02030  -0.04876   0.01607   1.17599
   D215      -1.95373   0.00108   0.03486   0.00350   0.03512  -1.91861
   D216      -0.27842   0.00134   0.05362  -0.00657   0.05269  -0.22573
   D217      -3.02471   0.00047   0.01086   0.02438   0.01285  -3.01186
   D218       2.83719   0.00050   0.03960  -0.05550   0.03449   2.87168
   D219       0.09090  -0.00037  -0.00317  -0.02455  -0.00535   0.08555
   D220      -2.49625   0.00031   0.05454  -0.04080   0.05032  -2.44593
   D221      -0.40410   0.00011   0.05483  -0.04681   0.05002  -0.35408
   D222       1.68815   0.00008   0.05226  -0.04059   0.04807   1.73623
   D223       1.02864   0.00008   0.01401  -0.00841   0.01330   1.04194
   D224       3.12079  -0.00013   0.01431  -0.01442   0.01300   3.13379
   D225      -1.07014  -0.00016   0.01173  -0.00820   0.01105  -1.05910
         Item               Value     Threshold  Converged?
 Maximum Force            0.004853     0.000450     NO 
 RMS     Force            0.000974     0.000300     NO 
 Maximum Displacement     0.379187     0.001800     NO 
 RMS     Displacement     0.085199     0.001200     NO 
 Predicted change in Energy=-3.739790D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.852066    3.161294    3.135489
      2          6           0       -2.938242    2.080400    3.767238
      3          6           0       -1.715638    1.729469    2.953748
      4          6           0       -1.487360    0.948098    1.825801
      5          7           0       -0.442189    2.199965    3.315747
      6          6           0        0.484752    1.708299    2.428139
      7          7           0       -0.116091    0.938295    1.511255
      8          6           0       -5.178856    1.086722    0.034117
      9          6           0       -5.897016    0.038814   -0.846554
     10          6           0       -5.322417   -1.388534   -0.674577
     11          6           0       -3.826199   -1.404370   -0.941257
     12          8           0       -3.317290   -0.759372   -1.911661
     13          8           0       -3.058153   -2.076788   -0.058120
     14          6           0       -2.114738    3.733041   -3.617246
     15          6           0       -0.646347    3.546174   -4.065057
     16          6           0        0.069329    2.465357   -3.295473
     17          6           0       -0.009890    2.017532   -1.985075
     18          7           0        1.060026    1.663096   -3.886470
     19          6           0        1.523938    0.766687   -2.953680
     20          7           0        0.894908    0.960914   -1.787363
     21          6           0        4.920197    3.787441    0.730641
     22          6           0        5.443054    2.474791    1.356052
     23          6           0        4.437985    1.361415    1.228973
     24          6           0        3.291331    1.262613    0.459617
     25          7           0        4.477039    0.165776    1.968014
     26          6           0        3.386631   -0.601954    1.627332
     27          7           0        2.648987    0.044965    0.720578
     28         30           0        0.827944   -0.476809   -0.148063
     29          1           0       -4.718894    3.347091    3.781349
     30          1           0       -4.219051    2.844602    2.154594
     31          1           0       -3.311657    4.108205    3.005606
     32          1           0       -3.527625    1.172203    3.944463
     33          1           0       -2.612443    2.429590    4.758260
     34          1           0       -2.180508    0.380216    1.226967
     35          1           0       -0.248524    2.799135    4.107901
     36          1           0        1.541644    1.910984    2.489655
     37          1           0       -4.121537    1.177072   -0.238902
     38          1           0       -5.254629    0.813735    1.097114
     39          1           0       -5.639877    2.076045   -0.087424
     40          1           0       -6.967390    0.019388   -0.596467
     41          1           0       -5.810266    0.328129   -1.900452
     42          1           0       -5.499730   -1.771207    0.336921
     43          1           0       -5.813024   -2.077161   -1.378013
     44          1           0       -2.685873    2.807047   -3.739450
     45          1           0       -2.591958    4.522802   -4.209842
     46          1           0       -2.170996    4.030339   -2.562461
     47          1           0       -0.621680    3.299322   -5.136359
     48          1           0       -0.113330    4.502025   -3.955169
     49          1           0       -0.645740    2.358341   -1.182250
     50          1           0        1.356589    1.722732   -4.852370
     51          1           0        2.261002    0.003897   -3.140502
     52          1           0        4.733963    3.669714   -0.343772
     53          1           0        3.987476    4.110460    1.208313
     54          1           0        5.658354    4.588212    0.850792
     55          1           0        5.677369    2.640784    2.418395
     56          1           0        6.389304    2.195231    0.870500
     57          1           0        2.892651    1.960715   -0.255277
     58          1           0        5.190761   -0.090481    2.638387
     59          1           0        3.137869   -1.561605    2.051334
     60          8           0       -0.992741   -1.014163   -0.626983
     61          1           0       -1.476126   -0.587706   -1.379624
     62          1           0       -1.906764   -1.682054   -0.255751
     63          6           0        2.239668   -3.166755   -1.493993
     64          8           0        1.914935   -1.938698   -1.457040
     65          7           0        1.432425   -4.149526   -1.005377
     66          6           0        0.084136   -3.909287   -0.484998
     67          6           0        0.067706   -3.286857    0.923299
     68          8           0        1.021229   -2.549987    1.337186
     69          7           0       -1.048760   -3.541418    1.647557
     70          1           0       -0.437847   -3.200245   -1.140675
     71          1           0       -0.463410   -4.856824   -0.485329
     72          1           0        1.767798   -5.104781   -1.033245
     73          1           0       -1.857150   -3.932288    1.168601
     74          6           0       -1.326095   -2.908741    2.948861
     75          1           0       -1.764536   -3.646252    3.628126
     76          1           0       -0.389084   -2.536567    3.367015
     77          1           0       -2.022234   -2.073163    2.816727
     78          6           0        3.549855   -3.600136   -2.124255
     79          1           0        3.528964   -3.356674   -3.193415
     80          1           0        4.372464   -3.036722   -1.673523
     81          1           0        3.746770   -4.671494   -2.016329
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0943658      0.0723089      0.0673521
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4899.3708269868 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33706 LenP2D=  122000.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.49D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999601    0.026373   -0.002990   -0.009623 Ang=   3.24 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.96381680     A.U. after   12 cycles
            NFock= 12  Conv=0.59D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33706 LenP2D=  122000.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000058584    0.001124572   -0.000900571
      3        6          -0.001698935   -0.000557145    0.001492315
      4        6          -0.000470859    0.000366170   -0.000737466
      5        7           0.000920785   -0.000814935    0.000433386
      6        6          -0.000784015    0.000745490   -0.000285463
      7        7          -0.000463156    0.001450872   -0.003483016
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000219292   -0.000552770   -0.000107181
     10        6          -0.000713499    0.001446000    0.000416414
     11        6          -0.003051644    0.004134738    0.001216496
     12        8           0.002083921   -0.000814805   -0.000764398
     13        8           0.004944533    0.001203142   -0.001961926
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000694455    0.000986804    0.000947470
     16        6          -0.001259763   -0.002335781   -0.000757615
     17        6          -0.000127264    0.001029923    0.001333896
     18        7           0.000207834    0.001198954    0.000296156
     19        6           0.000484513   -0.001311397    0.000434378
     20        7          -0.000294336    0.001822124    0.000503208
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000166864    0.000407722    0.000003496
     23        6           0.000762360   -0.000452272    0.002009230
     24        6          -0.000523890    0.001087109   -0.000911512
     25        7          -0.001029604   -0.000630214   -0.000757516
     26        6           0.001550004    0.001303690    0.001547866
     27        7          -0.003172285   -0.000871906   -0.002584898
     28       30           0.002328812   -0.007239336    0.006085635
     29        1          -0.000053039   -0.000175100    0.000066160
     30        1          -0.000041336    0.000299559   -0.000506551
     31        1           0.000333133    0.000388877   -0.000050268
     32        1           0.000114319   -0.000101685   -0.000776136
     33        1           0.000020552    0.000738295   -0.000084570
     34        1           0.000618623    0.000227266    0.001176953
     35        1          -0.000103776   -0.000244314   -0.000000424
     36        1           0.000555060   -0.000020310   -0.000236020
     37        1          -0.000365268    0.000376796   -0.000386704
     38        1          -0.000899837   -0.000411815    0.000064719
     39        1           0.000245571    0.000058423   -0.000203642
     40        1          -0.000191944   -0.000143858   -0.000323906
     41        1          -0.000105827   -0.000329656    0.000034008
     42        1          -0.000035284   -0.000193083    0.000039084
     43        1           0.000368645   -0.000682944    0.000112510
     44        1           0.000282455    0.000315293   -0.000393167
     45        1          -0.000007275    0.000578426   -0.000104347
     46        1           0.000012686    0.000047690   -0.000107898
     47        1           0.000373072    0.000098342    0.000011722
     48        1          -0.000407665    0.000007224   -0.000019962
     49        1           0.000098541   -0.000361020   -0.001850379
     50        1          -0.000107303    0.000310731   -0.000099229
     51        1          -0.000044827    0.000232417   -0.000259544
     52        1          -0.000041188    0.000221355    0.000000194
     53        1          -0.000011772   -0.000018751    0.000025918
     54        1          -0.000196099    0.000112956    0.000110159
     55        1           0.000161085   -0.000355929   -0.000079896
     56        1          -0.000177403    0.000360525   -0.000266837
     57        1           0.000490473   -0.000157153    0.000282093
     58        1          -0.000117904   -0.000029344    0.000022776
     59        1          -0.000445255   -0.000179698   -0.000566668
     60        8           0.002301655    0.007518272   -0.004508709
     61        1          -0.004921882   -0.002470285   -0.000999181
     62        1          -0.001823147   -0.004810249    0.004692898
     63        6           0.001423815   -0.000487589    0.001513507
     64        8           0.000452500    0.000111683   -0.000899802
     65        7          -0.000400474    0.000011204   -0.000491926
     66        6           0.000443784    0.000027713   -0.000536273
     67        6          -0.000455278    0.002669918    0.001470859
     68        8           0.001489416   -0.001924866   -0.001844185
     69        7           0.002027418   -0.000752712    0.001396793
     70        1          -0.000636642   -0.000134040    0.000347337
     71        1           0.000052636   -0.000291237   -0.000673381
     72        1          -0.000363325   -0.000062816    0.000485640
     73        1          -0.000983395    0.000022095   -0.000807044
     74        6          -0.000743090   -0.000694392   -0.001492914
     75        1           0.000097525    0.000273321    0.000354869
     76        1           0.000021729   -0.000018999    0.000002707
     77        1           0.000236535   -0.000024534    0.000529378
     78        6           0.000009349    0.000252760   -0.000364851
     79        1          -0.000106936    0.000066327    0.000245522
     80        1          -0.000146258   -0.000109775    0.000233796
     81        1          -0.000064712   -0.000007764    0.000159508
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007518272 RMS     0.001367616

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003378263 RMS     0.000616627
 Search for a local minimum.
 Step number  16 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   14   15   16
 DE= -2.10D-04 DEPred=-3.74D-04 R= 5.63D-01
 TightC=F SS=  1.41D+00  RLast= 8.82D-01 DXNew= 5.0454D+00 2.6463D+00
 Trust test= 5.63D-01 RLast= 8.82D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00105   0.00228   0.00230   0.00232   0.00233
     Eigenvalues ---    0.00332   0.00372   0.00451   0.00493   0.00528
     Eigenvalues ---    0.00587   0.00647   0.00719   0.00752   0.00764
     Eigenvalues ---    0.00795   0.00850   0.00891   0.00987   0.01206
     Eigenvalues ---    0.01281   0.01287   0.01367   0.01390   0.01468
     Eigenvalues ---    0.01476   0.01530   0.01622   0.01670   0.01757
     Eigenvalues ---    0.01795   0.01841   0.01849   0.01867   0.01886
     Eigenvalues ---    0.01932   0.01971   0.02006   0.02117   0.02215
     Eigenvalues ---    0.02243   0.02275   0.02285   0.02328   0.02413
     Eigenvalues ---    0.02562   0.02863   0.03193   0.03406   0.03777
     Eigenvalues ---    0.03953   0.04002   0.04093   0.04147   0.04386
     Eigenvalues ---    0.04715   0.04849   0.05036   0.05311   0.05375
     Eigenvalues ---    0.05380   0.05407   0.05411   0.05420   0.05461
     Eigenvalues ---    0.05501   0.05522   0.05537   0.05564   0.05699
     Eigenvalues ---    0.05826   0.06208   0.06822   0.06898   0.07042
     Eigenvalues ---    0.07470   0.07493   0.07599   0.07930   0.08276
     Eigenvalues ---    0.08383   0.08874   0.09205   0.09279   0.09426
     Eigenvalues ---    0.09521   0.09778   0.10077   0.10799   0.11148
     Eigenvalues ---    0.11647   0.12250   0.12783   0.12846   0.13004
     Eigenvalues ---    0.13142   0.13485   0.14808   0.15379   0.15643
     Eigenvalues ---    0.15911   0.15942   0.15985   0.15987   0.15992
     Eigenvalues ---    0.15993   0.15997   0.15999   0.15999   0.15999
     Eigenvalues ---    0.16000   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16000   0.16001   0.16003   0.16005
     Eigenvalues ---    0.16010   0.16016   0.16040   0.16079   0.16087
     Eigenvalues ---    0.16149   0.16208   0.16344   0.17084   0.17621
     Eigenvalues ---    0.18417   0.18781   0.19991   0.20758   0.21428
     Eigenvalues ---    0.21658   0.22013   0.22205   0.22376   0.22387
     Eigenvalues ---    0.22829   0.22959   0.23240   0.23436   0.23737
     Eigenvalues ---    0.23994   0.24319   0.24695   0.24757   0.24948
     Eigenvalues ---    0.25032   0.25265   0.26388   0.27329   0.27471
     Eigenvalues ---    0.27748   0.28196   0.28279   0.29251   0.30414
     Eigenvalues ---    0.30638   0.30829   0.31380   0.31519   0.31759
     Eigenvalues ---    0.33608   0.33612   0.33632   0.33651   0.33663
     Eigenvalues ---    0.33713   0.33791   0.33818   0.33825   0.33893
     Eigenvalues ---    0.33922   0.33937   0.33955   0.33984   0.33989
     Eigenvalues ---    0.34004   0.34040   0.34052   0.34075   0.34086
     Eigenvalues ---    0.34124   0.34137   0.34174   0.34176   0.34189
     Eigenvalues ---    0.34238   0.34248   0.34300   0.34313   0.34615
     Eigenvalues ---    0.35648   0.35714   0.35762   0.36053   0.36238
     Eigenvalues ---    0.36335   0.36473   0.36512   0.38958   0.39339
     Eigenvalues ---    0.39512   0.42248   0.42559   0.42623   0.45087
     Eigenvalues ---    0.45297   0.45458   0.45470   0.45582   0.45593
     Eigenvalues ---    0.45619   0.45637   0.45953   0.48914   0.49112
     Eigenvalues ---    0.49425   0.49692   0.49877   0.52337   0.54723
     Eigenvalues ---    0.54852   0.54923   0.55742   0.69490   0.73133
     Eigenvalues ---    0.762901000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    16   15   14   13   12
 RFO step:  Lambda=-7.24137185D-04.
 EnCoef did   100 forward-backward iterations
 DidBck=T Rises=F  En-DIIS coefs:    0.01158    0.72566    0.00000    0.00055    0.26221
 Iteration  1 RMS(Cart)=  0.17085307 RMS(Int)=  0.01823989
 Iteration  2 RMS(Cart)=  0.05598159 RMS(Int)=  0.00276596
 Iteration  3 RMS(Cart)=  0.00456125 RMS(Int)=  0.00131554
 New curvilinear step failed, DQL= 1.51D-04 SP=-1.85D-01.
 ITry= 1 IFail=1 DXMaxC= 1.14D+00 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.15561376 RMS(Int)=  0.01379786
 Iteration  2 RMS(Cart)=  0.04236693 RMS(Int)=  0.00200358
 Iteration  3 RMS(Cart)=  0.00260431 RMS(Int)=  0.00147648
 New curvilinear step failed, DQL= 6.19D-05 SP=-1.65D-01.
 ITry= 2 IFail=1 DXMaxC= 1.02D+00 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.13956476 RMS(Int)=  0.00973396
 Iteration  2 RMS(Cart)=  0.02871431 RMS(Int)=  0.00176750
 Iteration  3 RMS(Cart)=  0.00119274 RMS(Int)=  0.00166812
 New curvilinear step failed, DQL= 2.11D-05 SP=-1.64D-01.
 ITry= 3 IFail=1 DXMaxC= 9.02D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.12073303 RMS(Int)=  0.00640850
 Iteration  2 RMS(Cart)=  0.01494377 RMS(Int)=  0.00186593
 Iteration  3 RMS(Cart)=  0.00040103 RMS(Int)=  0.00185998
 New curvilinear step failed, DQL= 3.33D-05 SP=-2.62D-02.
 ITry= 4 IFail=1 DXMaxC= 7.79D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.10293870 RMS(Int)=  0.00468522
 Iteration  2 RMS(Cart)=  0.00759289 RMS(Int)=  0.00203506
 New curvilinear step failed, DQL= 4.99D-04 SP=-2.72D-02.
 ITry= 5 IFail=1 DXMaxC= 6.57D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08302838 RMS(Int)=  0.00352886
 Iteration  2 RMS(Cart)=  0.00512949 RMS(Int)=  0.00218503
 New curvilinear step failed, DQL= 3.14D-04 SP=-3.62D-02.
 ITry= 6 IFail=1 DXMaxC= 5.37D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06308115 RMS(Int)=  0.00281630
 Iteration  2 RMS(Cart)=  0.00314555 RMS(Int)=  0.00230454
 New curvilinear step failed, DQL= 1.89D-04 SP=-4.18D-02.
 ITry= 7 IFail=1 DXMaxC= 4.14D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04314849 RMS(Int)=  0.00251246
 Iteration  2 RMS(Cart)=  0.00164992 RMS(Int)=  0.00239094
 New curvilinear step failed, DQL= 9.64D-05 SP=-5.00D-02.
 ITry= 8 IFail=1 DXMaxC= 2.88D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02326551 RMS(Int)=  0.00245371
 Iteration  2 RMS(Cart)=  0.00061741 RMS(Int)=  0.00244291
 New curvilinear step failed, DQL= 1.28D-04 SP=-1.47D-02.
 ITry= 9 IFail=1 DXMaxC= 1.60D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.00418273 RMS(Int)=  0.00245982
 New curvilinear step failed, DQL= 2.99D-04 SP=-5.03D-02.
 ITry=10 IFail=1 DXMaxC= 2.88D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.03656269 RMS(Int)=  0.04746592 XScale=  5.02378624
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.03660884 RMS(Int)=  0.03587686 XScale=  2.51929957
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.03681596 RMS(Int)=  0.02458592 XScale=  1.68199661
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.03743172 RMS(Int)=  0.01385919 XScale=  1.26023898
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.03972064 RMS(Int)=  0.00526106 XScale=  0.99999531
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00013250 RMS(Int)=  0.00017620 XScale=  5.06592322
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00013301 RMS(Int)=  0.00013554 XScale=  2.53619098
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00013373 RMS(Int)=  0.00009673 XScale=  1.69317260
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00013490 RMS(Int)=  0.00006299 XScale=  1.27189749
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00013756 RMS(Int)=  0.00004668 XScale=  1.01942126
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000923 RMS(Int)=  0.00004657 XScale=  1.02024336
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48446   0.00004   0.00001   0.00000   0.00017   8.48463
    Y1       -0.92756   0.00147  -0.00002   0.00000  -0.00010  -0.92766
    Z1        7.47498  -0.00104   0.00001   0.00000   0.00013   7.47511
    X8       10.19810  -0.00130  -0.00001   0.00000  -0.00012  10.19798
    Y8        1.20615   0.00006   0.00002   0.00000   0.00017   1.20632
    Z8        0.50973  -0.00065  -0.00002   0.00000  -0.00015   0.50958
   X14        7.21037   0.00011   0.00001   0.00000   0.00004   7.21041
   Y14       -7.64137   0.00135  -0.00001   0.00000  -0.00008  -7.64145
   Z14       -3.84253  -0.00057   0.00001   0.00000   0.00009  -3.84243
   X21       -6.13875  -0.00024  -0.00001   0.00000  -0.00009  -6.13884
   Y21       -9.38869  -0.00002   0.00000   0.00000   0.00001  -9.38867
   Z21        4.09469   0.00018  -0.00001   0.00000  -0.00007   4.09462
    R1        2.92908   0.00061   0.00431  -0.00116   0.03865   2.96773
    R2        2.07272  -0.00006   0.00034  -0.00107   0.00286   2.07558
    R3        2.06761   0.00048   0.00126  -0.00095   0.03849   2.10610
    R4        2.07488  -0.00044  -0.00449   0.01030   0.04597   2.12085
    R5        2.85322  -0.00026   0.00028  -0.00322  -0.00031   2.85292
    R6        2.07320   0.00006   0.00016  -0.00136   0.04924   2.12243
    R7        2.07887  -0.00012   0.00007  -0.00144   0.04689   2.12577
    R8        2.62863  -0.00016   0.00431  -0.01440  -0.01260   2.61603
    R9        2.65510  -0.00039  -0.00276   0.00755   0.00777   2.66287
   R10        2.65869  -0.00030   0.00234  -0.00657  -0.00574   2.65295
   R11        2.03665  -0.00045   0.00013  -0.00280  -0.00224   2.03441
   R12        2.59712   0.00052  -0.00345   0.01160   0.01123   2.60835
   R13        1.91228   0.00008  -0.00006   0.00038   0.00122   1.91350
   R14        2.53152   0.00014   0.00067  -0.00517  -0.00387   2.52765
   R15        2.03695  -0.00050  -0.00012   0.00079   0.00119   2.03814
   R16        4.49066  -0.00327   0.02291  -0.27042  -0.24958   4.24108
   R17        2.92111   0.00004  -0.01100   0.02517   0.02195   2.94306
   R18        2.07063   0.00019   0.00161  -0.00399   0.00201   2.07264
   R19        2.07889  -0.00008  -0.00026  -0.00096   0.00444   2.08333
   R20        2.07532   0.00009   0.00458  -0.01036  -0.00566   2.06966
   R21        2.92576   0.00082  -0.00516   0.01442   0.01352   2.93928
   R22        2.07751  -0.00029   0.00007  -0.00158   0.00015   2.07766
   R23        2.07175   0.00016   0.00001   0.00009   0.00289   2.07465
   R24        2.87216  -0.00031   0.00136  -0.00386  -0.00163   2.87053
   R25        2.07096  -0.00010   0.00003  -0.00033   0.00225   2.07321
   R26        2.07846  -0.00031   0.00009  -0.00142   0.00083   2.07929
   R27        2.40277   0.00197   0.00238  -0.00022   0.01010   2.41288
   R28        2.55076  -0.00334  -0.00471   0.01234   0.01667   2.56743
   R29        3.63615   0.00204  -0.00614   0.12504   0.11902   3.75516
   R30        2.33025   0.00338  -0.00439   0.02923   0.02761   2.35786
   R31        2.92244   0.00001   0.00194  -0.00055   0.00153   2.92397
   R32        2.06888   0.00051   0.00201  -0.00333   0.00080   2.06968
   R33        2.07236  -0.00037  -0.00139   0.00237   0.00271   2.07507
   R34        2.07364  -0.00010  -0.00205   0.00499   0.00412   2.07776
   R35        2.84880  -0.00001   0.00131  -0.00125   0.00071   2.84952
   R36        2.07804  -0.00002   0.00014  -0.00183  -0.00071   2.07733
   R37        2.07856   0.00006   0.00012  -0.00165   0.00016   2.07871
   R38        2.62118   0.00003  -0.00165   0.00200   0.00071   2.62189
   R39        2.65530  -0.00025   0.00152  -0.00608  -0.00250   2.65280
   R40        2.65518  -0.00024   0.00034  -0.00186  -0.00129   2.65389
   R41        2.03967  -0.00149   0.00050  -0.00962  -0.00861   2.03105
   R42        2.59716  -0.00037   0.00179  -0.00378  -0.00238   2.59478
   R43        1.91271  -0.00005  -0.00001  -0.00004   0.00064   1.91335
   R44        2.53089   0.00002  -0.00012   0.00204   0.00286   2.53375
   R45        2.03531   0.00022  -0.00020   0.00305   0.00388   2.03919
   R46        4.12239  -0.00137   0.00006  -0.00749  -0.00733   4.11506
   R47        2.91996  -0.00026  -0.00260   0.00516   0.00436   2.92432
   R48        2.07260  -0.00005   0.00024  -0.00035   0.00039   2.07298
   R49        2.07223   0.00000   0.00108  -0.00351  -0.00031   2.07193
   R50        2.07056   0.00003   0.00005   0.00041   0.00284   2.07340
   R51        2.84460  -0.00070  -0.00026   0.00124   0.00227   2.84687
   R52        2.07958  -0.00017   0.00017  -0.00234  -0.00163   2.07795
   R53        2.07810   0.00019  -0.00008   0.00113   0.00274   2.08084
   R54        2.61608   0.00057   0.00116   0.00242   0.00464   2.62072
   R55        2.65724  -0.00021  -0.00089   0.00121   0.00186   2.65910
   R56        2.64789  -0.00079   0.00054   0.00001   0.00014   2.64804
   R57        2.03299   0.00031  -0.00006   0.00146   0.00230   2.03529
   R58        2.60101   0.00049  -0.00093  -0.00037  -0.00046   2.60055
   R59        1.91270   0.00010  -0.00003   0.00048   0.00085   1.91356
   R60        2.52462   0.00038  -0.00016   0.00377   0.00548   2.53010
   R61        2.03757  -0.00014  -0.00005   0.00052   0.00048   2.03805
   R62        3.93816   0.00112  -0.00251   0.04045   0.03795   3.97610
   R63        3.69972   0.00222   0.00155   0.02764   0.02766   3.72738
   R64        4.23909  -0.00088  -0.00258   0.02769   0.02645   4.26555
   R65        4.83319  -0.00192  -0.00225   0.02105   0.02043   4.85362
   R66        1.87264  -0.00093   0.00267  -0.01172  -0.00372   1.86891
   R67        2.25134  -0.00146   0.00348  -0.04119  -0.03052   2.22081
   R68        2.40147  -0.00077  -0.00026  -0.00178   0.00232   2.40379
   R69        2.57463  -0.00013  -0.00302   0.00787   0.00744   2.58206
   R70        2.86693   0.00009   0.00011  -0.00038   0.00367   2.87060
   R71        2.76856  -0.00022  -0.00269   0.00633   0.00732   2.77588
   R72        1.91391   0.00000  -0.00001  -0.00021   0.00381   1.91773
   R73        2.90980   0.00066  -0.00192   0.00965   0.00875   2.91856
   R74        2.07450  -0.00049   0.00017  -0.00245  -0.00011   2.07439
   R75        2.06805  -0.00003   0.00010  -0.00168  -0.00053   2.06752
   R76        2.40781   0.00031   0.00160  -0.00448  -0.00292   2.40489
   R77        2.56046  -0.00035  -0.00040   0.00299   0.00326   2.56371
   R78        1.92314  -0.00017  -0.00009   0.00037   0.00030   1.92344
   R79        2.78412  -0.00068  -0.00023   0.00036   0.00103   2.78515
   R80        2.06798   0.00038  -0.00004   0.00098   0.00181   2.06979
   R81        2.06262  -0.00001  -0.00003   0.00029   0.00057   2.06319
   R82        2.07031   0.00030  -0.00007   0.00041   0.00094   2.07125
   R83        2.07252  -0.00026   0.00005  -0.00126   0.00367   2.07619
   R84        2.06774   0.00028  -0.00005   0.00100   0.00218   2.06993
   R85        2.06856  -0.00002  -0.00005   0.00039   0.00483   2.07339
    A1        1.92203   0.00009  -0.00187   0.00634  -0.01037   1.91167
    A2        1.94046  -0.00054  -0.00159  -0.00701  -0.00031   1.94015
    A3        1.93847   0.00043   0.00041   0.00416   0.01031   1.94878
    A4        1.88794   0.00016  -0.00145   0.00637   0.00272   1.89066
    A5        1.88866  -0.00025   0.00298  -0.00999  -0.00467   1.88399
    A6        1.88458   0.00010   0.00164  -0.00003   0.00221   1.88678
    A7        2.00411  -0.00011  -0.00214  -0.00398  -0.02318   1.98093
    A8        1.90328   0.00033   0.00387  -0.01160  -0.00163   1.90165
    A9        1.89697  -0.00014  -0.00244   0.01337   0.02324   1.92021
   A10        1.90672  -0.00032   0.00183  -0.01668  -0.01562   1.89110
   A11        1.89582   0.00025  -0.00033   0.01376   0.01190   1.90772
   A12        1.85078  -0.00001  -0.00077   0.00629   0.00719   1.85798
   A13        2.34667  -0.00267   0.00732  -0.04017  -0.03774   2.30893
   A14        2.11445   0.00201  -0.00757   0.03829   0.03571   2.15016
   A15        1.82171   0.00066   0.00025   0.00197   0.00213   1.82383
   A16        1.92320  -0.00001  -0.00136   0.00369   0.00332   1.92653
   A17        2.26658  -0.00128   0.00133  -0.01638  -0.01550   2.25108
   A18        2.09319   0.00129  -0.00008   0.01278   0.01228   2.10547
   A19        1.90192  -0.00083   0.00042  -0.00610  -0.00607   1.89585
   A20        2.18147   0.00060  -0.00006   0.00208   0.00218   2.18365
   A21        2.19977   0.00023  -0.00035   0.00405   0.00391   2.20368
   A22        1.92321   0.00052   0.00270  -0.00381  -0.00322   1.91999
   A23        2.16179  -0.00017  -0.00188   0.01002   0.00913   2.17092
   A24        2.19804  -0.00035  -0.00079  -0.00629  -0.00597   2.19207
   A25        1.85472  -0.00033  -0.00209   0.00420   0.00379   1.85851
   A26        2.15012   0.00153   0.01333  -0.03652  -0.03053   2.11959
   A27        2.26793  -0.00124  -0.01533   0.03152   0.02582   2.29375
   A28        1.94148  -0.00096   0.00307  -0.01923  -0.01544   1.92604
   A29        1.92867   0.00105   0.00294   0.00626   0.00987   1.93854
   A30        1.93116  -0.00032   0.00063   0.00239   0.00191   1.93306
   A31        1.90465  -0.00036   0.00018  -0.01579  -0.01525   1.88941
   A32        1.87887   0.00056  -0.00396   0.01101   0.00631   1.88517
   A33        1.87713   0.00005  -0.00335   0.01637   0.01290   1.89004
   A34        1.97064   0.00049  -0.00684   0.01397   0.01106   1.98169
   A35        1.91210   0.00020   0.00182  -0.00435  -0.00364   1.90846
   A36        1.90924  -0.00054   0.00239  -0.00143   0.00011   1.90934
   A37        1.89629  -0.00032   0.00181  -0.00521  -0.00534   1.89096
   A38        1.89727   0.00009   0.00165  -0.00163  -0.00170   1.89556
   A39        1.87589   0.00006  -0.00059  -0.00207  -0.00108   1.87481
   A40        1.93421  -0.00098   0.00397  -0.01061  -0.00930   1.92491
   A41        1.94378   0.00050  -0.00088  -0.00150  -0.00286   1.94092
   A42        1.91837  -0.00045  -0.00036  -0.00632  -0.00484   1.91353
   A43        1.89398   0.00019  -0.00089   0.00198   0.00253   1.89650
   A44        1.89692   0.00067  -0.00166   0.00698   0.00570   1.90262
   A45        1.87497   0.00012  -0.00039   0.01044   0.00953   1.88451
   A46        2.12074  -0.00109   0.00502  -0.00513  -0.00187   2.11887
   A47        2.03816   0.00037  -0.00206  -0.00243  -0.00799   2.03018
   A48        2.12269   0.00068  -0.00274   0.00577   0.00785   2.13055
   A49        1.78975   0.00030   0.00247  -0.00122  -0.00173   1.78802
   A50        1.84104  -0.00059  -0.00234   0.00764   0.00306   1.84411
   A51        1.93993  -0.00005  -0.00218   0.00707   0.00494   1.94487
   A52        1.92169   0.00040  -0.00035   0.00536   0.00500   1.92668
   A53        1.93880   0.00005   0.00078  -0.00610  -0.00611   1.93269
   A54        1.89841  -0.00036   0.00005  -0.00873  -0.00863   1.88978
   A55        1.88568   0.00001  -0.00005   0.00085   0.00131   1.88699
   A56        1.87759  -0.00006   0.00184   0.00115   0.00329   1.88088
   A57        1.97096   0.00063   0.00237  -0.00172  -0.00079   1.97018
   A58        1.90766  -0.00041   0.00124  -0.00669  -0.00631   1.90135
   A59        1.90306   0.00006  -0.00253   0.00510   0.00358   1.90665
   A60        1.90260   0.00006  -0.00179   0.01773   0.01671   1.91931
   A61        1.91982  -0.00050   0.00032  -0.01411  -0.01331   1.90651
   A62        1.85619   0.00012   0.00024  -0.00023   0.00016   1.85635
   A63        2.32765  -0.00156  -0.00022  -0.02200  -0.02240   2.30525
   A64        2.12863   0.00192   0.00069   0.02077   0.02199   2.15062
   A65        1.82687  -0.00036  -0.00120   0.00118   0.00036   1.82722
   A66        1.91660   0.00050   0.00165   0.00204   0.00265   1.91925
   A67        2.25802  -0.00116  -0.00007  -0.01562  -0.01531   2.24271
   A68        2.10848   0.00065  -0.00159   0.01339   0.01242   2.12090
   A69        1.90173   0.00008   0.00056  -0.00207  -0.00225   1.89948
   A70        2.18257   0.00020  -0.00034   0.00326   0.00350   2.18606
   A71        2.19841  -0.00028  -0.00023  -0.00048  -0.00081   2.19760
   A72        1.91551   0.00035  -0.00095   0.00588   0.00477   1.92028
   A73        2.18365  -0.00022   0.00089  -0.00805  -0.00755   2.17610
   A74        2.18362  -0.00014   0.00010   0.00165   0.00217   2.18580
   A75        1.86394  -0.00057  -0.00010  -0.00637  -0.00566   1.85828
   A76        2.19148   0.00018  -0.00402   0.01200   0.00785   2.19933
   A77        2.18126   0.00043   0.00410  -0.00314   0.00041   2.18167
   A78        1.94204  -0.00021   0.00087  -0.00429  -0.00437   1.93767
   A79        1.94094   0.00010   0.00017   0.00074   0.00113   1.94207
   A80        1.92678  -0.00031   0.00093  -0.00510  -0.00381   1.92297
   A81        1.89011   0.00007  -0.00087   0.00272   0.00225   1.89235
   A82        1.87577   0.00027  -0.00017   0.00102   0.00085   1.87662
   A83        1.88596   0.00010  -0.00103   0.00532   0.00425   1.89021
   A84        1.94790  -0.00019  -0.00028   0.01224   0.01155   1.95945
   A85        1.91202  -0.00018  -0.00045   0.00537   0.00376   1.91577
   A86        1.90542   0.00031   0.00026  -0.00952  -0.00858   1.89684
   A87        1.91264   0.00040  -0.00076   0.00963   0.00929   1.92194
   A88        1.92754  -0.00035   0.00102  -0.01705  -0.01585   1.91169
   A89        1.85602   0.00002   0.00023  -0.00128  -0.00099   1.85504
   A90        2.28199   0.00020   0.00065   0.01312   0.00944   2.29143
   A91        2.17244  -0.00027  -0.00105  -0.01088  -0.01134   2.16110
   A92        1.82803   0.00009   0.00013   0.00110   0.00168   1.82971
   A93        1.91582   0.00003  -0.00050  -0.00141  -0.00210   1.91372
   A94        2.25227   0.00001   0.00037  -0.00028   0.00030   2.25257
   A95        2.11505  -0.00004   0.00010   0.00191   0.00176   2.11681
   A96        1.89883  -0.00016  -0.00001  -0.00007  -0.00057   1.89827
   A97        2.19316   0.00003   0.00002  -0.00060  -0.00053   2.19264
   A98        2.19118   0.00013  -0.00011   0.00056   0.00039   2.19158
   A99        1.91274  -0.00011   0.00075  -0.00047   0.00012   1.91286
   A100       2.19184  -0.00001  -0.00040  -0.00120  -0.00162   2.19022
   A101       2.17790   0.00014  -0.00068   0.00351   0.00218   2.18008
   A102       1.86930   0.00016  -0.00048   0.00085   0.00085   1.87015
   A103       2.14186   0.00105   0.00149   0.02405   0.02339   2.16526
   A104       2.27070  -0.00123  -0.00243  -0.02810  -0.02870   2.24200
   A105       1.71575   0.00074  -0.00407   0.02889   0.02330   1.73905
   A106       1.47766  -0.00002   0.00076   0.01873   0.01833   1.49598
   A107       1.53560  -0.00030  -0.00276   0.01507   0.01051   1.54611
   A108       2.98670  -0.00122  -0.00033  -0.03525  -0.03224   2.95446
   A109       1.67823  -0.00105   0.00288  -0.05434  -0.04772   1.63051
   A110       1.69249  -0.00060  -0.00098  -0.01198  -0.01121   1.68128
   A111       1.59641   0.00092   0.00239  -0.01452  -0.01223   1.58418
   A112       1.54693   0.00019   0.00363   0.02211   0.02245   1.56938
   A113       2.88911   0.00031   0.00080   0.02554   0.02450   2.91361
   A114       2.95863  -0.00037  -0.00358   0.04165   0.03547   2.99409
   A115       1.55376  -0.00081   0.01192  -0.01617  -0.01034   1.54341
   A116       1.46546   0.00062   0.00430   0.00739   0.00759   1.47306
   A117       1.70017   0.00097  -0.00694  -0.02188  -0.02143   1.67875
   A118       1.56065  -0.00093  -0.00257   0.00608   0.00536   1.56601
   A119       1.34282   0.00014  -0.00225   0.00344   0.00200   1.34482
   A120       2.11918  -0.00068   0.00199   0.03789   0.03605   2.15523
   A121       2.48344  -0.00115   0.00222  -0.08526  -0.08463   2.39881
   A122       1.67467   0.00180  -0.00755   0.04114   0.04247   1.71714
   A123       2.26317  -0.00233   0.00114  -0.04988  -0.05022   2.21295
   A124       2.81074   0.00023   0.00956   0.01561   0.01504   2.82578
   A125       2.13559   0.00138   0.00101  -0.00677  -0.00668   2.12891
   A126       2.10460  -0.00043  -0.00068   0.00603   0.00708   2.11168
   A127       2.04274  -0.00094  -0.00035   0.00074  -0.00040   2.04234
   A128       2.45051  -0.00137   0.00646  -0.03409  -0.03081   2.41970
   A129       2.15841  -0.00034  -0.00037  -0.01274  -0.01347   2.14494
   A130       2.06495  -0.00001   0.00032   0.00435   0.00413   2.06908
   A131       2.05916   0.00034  -0.00004   0.00980   0.01000   2.06916
   A132       1.98337  -0.00050   0.00179  -0.02410  -0.02329   1.96007
   A133       1.90854  -0.00032   0.00112  -0.00789  -0.00714   1.90140
   A134       1.89480   0.00010  -0.00129   0.00813   0.00820   1.90301
   A135       1.85470   0.00023  -0.00153   0.00772   0.00668   1.86138
   A136       1.92296   0.00051   0.00019   0.01169   0.01109   1.93406
   A137       1.89774  -0.00001  -0.00035   0.00520   0.00493   1.90266
   A138       2.12102  -0.00119   0.00503  -0.02794  -0.02623   2.09478
   A139       2.00615   0.00083  -0.00306   0.02074   0.01900   2.02515
   A140       2.15515   0.00034  -0.00204   0.00459   0.00311   2.15826
   A141       1.79629   0.00081   0.00070   0.01835   0.01867   1.81496
   A142       2.06591  -0.00063   0.00009  -0.00906  -0.00828   2.05763
   A143       2.14905  -0.00068  -0.00022  -0.00434  -0.00373   2.14532
   A144       2.01651   0.00135  -0.00098   0.01027   0.00973   2.02623
   A145       1.91162   0.00027   0.00050  -0.00493  -0.00442   1.90720
   A146       1.89991  -0.00018   0.00015  -0.00276  -0.00309   1.89682
   A147       1.91836   0.00070  -0.00106   0.01587   0.01514   1.93350
   A148       1.91340  -0.00014   0.00014  -0.00307  -0.00266   1.91075
   A149       1.91165  -0.00040   0.00025  -0.00619  -0.00599   1.90566
   A150       1.90883  -0.00026  -0.00002   0.00110   0.00097   1.90980
   A151       1.90194   0.00014  -0.00033   0.00612   0.00562   1.90757
   A152       1.90819  -0.00015   0.00022  -0.00460  -0.00608   1.90211
   A153       1.97575  -0.00001   0.00004  -0.00027   0.00142   1.97717
   A154       1.87715   0.00000   0.00010  -0.00147   0.00010   1.87725
   A155       1.89316   0.00007  -0.00012   0.00227   0.00186   1.89502
   A156       1.90509  -0.00004   0.00009  -0.00204  -0.00292   1.90217
    D1        3.12954  -0.00013  -0.00186   0.01857   0.01442  -3.13923
    D2        0.98354   0.00011  -0.00575   0.05227   0.05170   1.03523
    D3       -1.02670   0.00002  -0.00559   0.04379   0.03118  -0.99552
    D4        1.03726  -0.00004   0.00220   0.01095   0.01798   1.05523
    D5       -1.10875   0.00019  -0.00169   0.04465   0.05526  -1.05349
    D6       -3.11898   0.00010  -0.00153   0.03618   0.03474  -3.08424
    D7       -1.06173  -0.00010   0.00091   0.01290   0.00837  -1.05337
    D8        3.07545   0.00013  -0.00298   0.04660   0.04565   3.12109
    D9        1.06522   0.00004  -0.00282   0.03813   0.02513   1.09035
   D10       -1.35916  -0.00070   0.02682  -0.35254  -0.32492  -1.68408
   D11        1.81613  -0.00082   0.02682  -0.35725  -0.32998   1.48616
   D12        0.78500  -0.00059   0.03182  -0.38357  -0.35442   0.43058
   D13       -2.32289  -0.00071   0.03181  -0.38827  -0.35948  -2.68237
   D14        2.79645  -0.00063   0.03170  -0.37755  -0.34792   2.44853
   D15       -0.31144  -0.00076   0.03169  -0.38226  -0.35298  -0.66442
   D16       -3.10863   0.00022  -0.00360  -0.00304  -0.00573  -3.11435
   D17        0.01020  -0.00028  -0.00174   0.00200   0.00125   0.01144
   D18        0.00319   0.00036  -0.00373   0.00179  -0.00071   0.00248
   D19        3.12202  -0.00014  -0.00187   0.00683   0.00626   3.12828
   D20        3.11755  -0.00025   0.00346   0.00431   0.00658   3.12414
   D21       -0.01773  -0.00015   0.00057  -0.00280  -0.00181  -0.01954
   D22        0.00079  -0.00027   0.00328   0.00184   0.00364   0.00443
   D23       -3.13449  -0.00017   0.00040  -0.00527  -0.00476  -3.13925
   D24       -0.00605  -0.00031   0.00290  -0.00483  -0.00256  -0.00862
   D25        2.99472  -0.00076  -0.00331  -0.00676  -0.00568   2.98904
   D26       -3.12748   0.00016   0.00165  -0.00887  -0.00846  -3.13594
   D27       -0.12671  -0.00028  -0.00457  -0.01080  -0.01157  -0.13828
   D28       -0.00470   0.00009  -0.00162  -0.00500  -0.00544  -0.01015
   D29       -3.12844   0.00005  -0.00386  -0.00084  -0.00228  -3.13071
   D30        3.13049  -0.00001   0.00130   0.00219   0.00306   3.13356
   D31        0.00676  -0.00005  -0.00093   0.00635   0.00623   0.01299
   D32        0.00650   0.00014  -0.00075   0.00594   0.00486   0.01136
   D33       -2.98129   0.00031  -0.00712   0.01585   0.01499  -2.96630
   D34        3.12978   0.00018   0.00156   0.00188   0.00184   3.13161
   D35        0.14199   0.00035  -0.00482   0.01179   0.01196   0.15395
   D36        1.70922   0.00067  -0.00248  -0.00535  -0.00765   1.70156
   D37       -2.89338   0.00000  -0.00280  -0.01718  -0.01787  -2.91124
   D38        0.11766  -0.00019  -0.00590   0.00807   0.00372   0.12138
   D39       -2.11086   0.00032  -0.03083   0.23714   0.19591  -1.91495
   D40       -1.43913   0.00074   0.00035  -0.00167  -0.00401  -1.44314
   D41       -1.60903   0.00028  -0.00276  -0.01228  -0.01547  -1.62450
   D42        0.07156  -0.00039  -0.00308  -0.02411  -0.02568   0.04588
   D43        3.08259  -0.00059  -0.00618   0.00114  -0.00409   3.07850
   D44        0.85408  -0.00007  -0.03111   0.23021   0.18809   1.04217
   D45        1.52581   0.00035   0.00007  -0.00860  -0.01183   1.51398
   D46        1.09215   0.00002  -0.00147   0.06981   0.06952   1.16167
   D47       -3.07512   0.00008  -0.00237   0.06945   0.06753  -3.00758
   D48       -1.02298  -0.00004  -0.00064   0.06357   0.06418  -0.95881
   D49       -1.02631   0.00041  -0.00584   0.09852   0.09246  -0.93385
   D50        1.08961   0.00047  -0.00674   0.09817   0.09047   1.18008
   D51       -3.14144   0.00035  -0.00501   0.09229   0.08711  -3.05433
   D52       -3.10345  -0.00012  -0.00402   0.07264   0.06863  -3.03483
   D53       -0.98753  -0.00006  -0.00492   0.07229   0.06663  -0.92090
   D54        1.06460  -0.00018  -0.00319   0.06641   0.06328   1.12788
   D55       -0.96718   0.00030  -0.00008   0.00929   0.00911  -0.95807
   D56        1.14308   0.00021   0.00093   0.00353   0.00410   1.14718
   D57       -3.06427   0.00038  -0.00034   0.01149   0.01102  -3.05325
   D58       -3.09204  -0.00005   0.00083   0.00930   0.01025  -3.08179
   D59       -0.98178  -0.00014   0.00184   0.00354   0.00524  -0.97654
   D60        1.09405   0.00003   0.00057   0.01150   0.01217   1.10622
   D61        1.15473   0.00000  -0.00038   0.01551   0.01536   1.17009
   D62       -3.01820  -0.00009   0.00064   0.00975   0.01035  -3.00785
   D63       -0.94236   0.00008  -0.00064   0.01771   0.01727  -0.92509
   D64       -0.73774   0.00075   0.00678  -0.08084  -0.07476  -0.81249
   D65        2.34425   0.00007   0.01178  -0.11423  -0.10426   2.23999
   D66       -2.87721   0.00063   0.00593  -0.07349  -0.06695  -2.94415
   D67        0.20479  -0.00005   0.01093  -0.10687  -0.09645   0.10833
   D68        1.37210   0.00002   0.00776  -0.09075  -0.08285   1.28925
   D69       -1.82909  -0.00066   0.01276  -0.12413  -0.11236  -1.94145
   D70        2.78209  -0.00079   0.00722  -0.00366  -0.00232   2.77977
   D71       -0.29701  -0.00006   0.00194   0.03165   0.02946  -0.26756
   D72       -2.84862   0.00069  -0.00992   0.03739   0.03316  -2.81546
   D73        0.23330  -0.00006  -0.00474   0.00356   0.00307   0.23638
   D74        0.16309  -0.00013   0.00618  -0.05535  -0.04948   0.11361
   D75        0.29988  -0.00028   0.01122  -0.10288  -0.10623   0.19365
   D76       -1.02984  -0.00020   0.00042  -0.02468  -0.02400  -1.05384
   D77        1.09118   0.00001   0.00058  -0.00797  -0.00769   1.08349
   D78        3.11358  -0.00003   0.00011  -0.00911  -0.00901   3.10457
   D79       -3.13469   0.00002   0.00199  -0.02192  -0.01972   3.12877
   D80       -1.01367   0.00023   0.00215  -0.00521  -0.00342  -1.01708
   D81        1.00873   0.00019   0.00169  -0.00635  -0.00473   1.00400
   D82        1.07041  -0.00018  -0.00058  -0.02295  -0.02315   1.04726
   D83       -3.09175   0.00003  -0.00042  -0.00624  -0.00685  -3.09860
   D84       -1.06935  -0.00002  -0.00089  -0.00738  -0.00816  -1.07752
   D85       -0.59026   0.00026   0.01330  -0.07690  -0.06374  -0.65401
   D86        2.56258  -0.00004   0.01345  -0.07027  -0.05822   2.50436
   D87       -2.71415   0.00032   0.01144  -0.07981  -0.06711  -2.78125
   D88        0.43870   0.00002   0.01158  -0.07318  -0.06159   0.37711
   D89        1.54011   0.00042   0.01197  -0.08179  -0.06927   1.47085
   D90       -1.59023   0.00012   0.01212  -0.07516  -0.06375  -1.65397
   D91        3.13890   0.00017  -0.00139   0.04152   0.03804  -3.10624
   D92        0.01181   0.00016  -0.00397   0.05592   0.05115   0.06296
   D93       -0.01256   0.00044  -0.00147   0.03584   0.03341   0.02085
   D94       -3.13965   0.00044  -0.00405   0.05024   0.04652  -3.09313
   D95       -3.13448  -0.00030   0.00173  -0.04442  -0.04083   3.10787
   D96       -0.02448  -0.00006   0.00105  -0.02072  -0.01855  -0.04302
   D97        0.01557  -0.00051   0.00193  -0.03926  -0.03642  -0.02085
   D98        3.12557  -0.00027   0.00125  -0.01556  -0.01413   3.11144
   D99        0.00499  -0.00022   0.00047  -0.01954  -0.01823  -0.01324
   D100      -2.82517  -0.00040  -0.00147  -0.02640  -0.02641  -2.85157
   D101       3.13353  -0.00023   0.00269  -0.03277  -0.03053   3.10300
   D102       0.30338  -0.00041   0.00075  -0.03963  -0.03871   0.26467
   D103      -0.01323   0.00039  -0.00174   0.02891   0.02682   0.01359
   D104       3.09909   0.00012   0.00016   0.01015   0.00981   3.10890
   D105      -3.12287   0.00014  -0.00106   0.00485   0.00425  -3.11862
   D106      -0.01055  -0.00013   0.00084  -0.01390  -0.01276  -0.02331
   D107       0.00510  -0.00011   0.00079  -0.00595  -0.00546  -0.00036
   D108       2.83757   0.00002   0.00106   0.00430   0.00432   2.84188
   D109      -3.10722   0.00016  -0.00113   0.01300   0.01187  -3.09536
   D110      -0.27476   0.00029  -0.00085   0.02325   0.02164  -0.25311
   D111      -0.54246   0.00003  -0.00173   0.07047   0.06639  -0.47607
   D112      -2.03634   0.00005  -0.00096   0.04985   0.04694  -1.98940
   D113       0.99650  -0.00013  -0.00506   0.08420   0.07546   1.07196
   D114       2.69614   0.00083  -0.01261   0.06312   0.05456   2.75070
   D115       2.62602  -0.00022  -0.00499   0.05866   0.05326   2.67927
   D116       2.96528  -0.00001  -0.00311   0.06219   0.05739   3.02267
   D117       1.47140   0.00001  -0.00235   0.04157   0.03794   1.50934
   D118      -1.77894  -0.00017  -0.00644   0.07592   0.06646  -1.71248
   D119      -0.07930   0.00079  -0.01400   0.05484   0.04556  -0.03374
   D120      -0.14942  -0.00026  -0.00637   0.05038   0.04426  -0.10516
   D121      -1.07909   0.00022  -0.00100   0.02267   0.02130  -1.05779
   D122       3.08261  -0.00004   0.00039  -0.00123  -0.00096   3.08166
   D123       1.05667  -0.00014   0.00026   0.00268   0.00298   1.05965
   D124       1.02967   0.00024  -0.00139   0.02370   0.02195   1.05161
   D125      -1.09181  -0.00002   0.00000  -0.00020  -0.00031  -1.09213
   D126      -3.11776  -0.00012  -0.00014   0.00371   0.00362  -3.11413
   D127       3.12291   0.00022  -0.00195   0.02749   0.02550  -3.13477
   D128       1.00144  -0.00004  -0.00057   0.00360   0.00324   1.00468
   D129      -1.02451  -0.00014  -0.00070   0.00750   0.00718  -1.01733
   D130       0.23529   0.00016  -0.01458   0.12585   0.11260   0.34788
   D131      -2.85884  -0.00034  -0.00693   0.01673   0.01091  -2.84793
   D132       2.35640   0.00008  -0.01584   0.14729   0.13174   2.48814
   D133      -0.73772  -0.00042  -0.00818   0.03817   0.03005  -0.70767
   D134      -1.88773   0.00014  -0.01542   0.14148   0.12671  -1.76102
   D135       1.30133  -0.00035  -0.00777   0.03235   0.02502   1.32635
   D136      -3.10062  -0.00022   0.00515  -0.08507  -0.08031   3.10226
   D137       0.05089  -0.00047   0.00759  -0.11097  -0.10447  -0.05358
   D138       0.00051   0.00020  -0.00144   0.00761   0.00675   0.00726
   D139      -3.13116  -0.00006   0.00100  -0.01829  -0.01742   3.13461
   D140       3.10982   0.00003  -0.00421   0.07873   0.07347  -3.09989
   D141      -0.03489   0.00016  -0.00242   0.04090   0.03801   0.00312
   D142       0.00540  -0.00036   0.00173  -0.00713  -0.00584  -0.00044
   D143      -3.13930  -0.00024   0.00352  -0.04496  -0.04131   3.10258
   D144      -0.00637   0.00004   0.00063  -0.00536  -0.00523  -0.01159
   D145       3.08494  -0.00023   0.00623  -0.06693  -0.06183   3.02311
   D146       3.12622   0.00027  -0.00158   0.01815   0.01672  -3.14024
   D147      -0.06566   0.00001   0.00402  -0.04343  -0.03988  -0.10554
   D148      -0.00970   0.00040  -0.00145   0.00412   0.00284  -0.00685
   D149      -3.11209  -0.00016   0.00195  -0.04643  -0.04408   3.12702
   D150       3.13500   0.00028  -0.00323   0.04189   0.03828  -3.10990
   D151       0.03261  -0.00028   0.00017  -0.00866  -0.00864   0.02397
   D152       0.00977  -0.00027   0.00051   0.00070   0.00142   0.01119
   D153      -3.07650  -0.00007  -0.00639   0.06628   0.05921  -3.01729
   D154       3.11255   0.00028  -0.00282   0.05063   0.04790  -3.12274
   D155       0.02627   0.00048  -0.00971   0.11621   0.10569   0.13197
   D156      -1.38462  -0.00046   0.00159  -0.01848  -0.01360  -1.39822
   D157       0.32132   0.00033  -0.00274   0.01372   0.01260   0.33392
   D158      -2.18136   0.00005   0.00310  -0.05253  -0.04956  -2.23091
   D159       1.86598   0.00043   0.00251   0.03425   0.03427   1.90025
   D160      -3.07387   0.00067  -0.00101   0.03946   0.03732  -3.03655
   D161       1.69412  -0.00073   0.00895  -0.09397  -0.08130   1.61282
   D162      -2.88313   0.00007   0.00461  -0.06177  -0.05510  -2.93823
   D163       0.89738  -0.00022   0.01046  -0.12802  -0.11726   0.78013
   D164      -1.33847   0.00017   0.00986  -0.04123  -0.03343  -1.37190
   D165       0.00487   0.00040   0.00634  -0.03603  -0.03038  -0.02551
   D166       1.68670   0.00142  -0.01277   0.14800   0.13379   1.82049
   D167      -1.30480   0.00157  -0.02508   0.22060   0.18926  -1.11554
   D168      -0.02828   0.00071  -0.00732   0.11831   0.10999   0.08171
   D169      -3.01978   0.00087  -0.01963   0.19091   0.16546  -2.85432
   D170       2.47964   0.00092  -0.01315   0.18303   0.17081   2.65045
   D171      -0.51186   0.00108  -0.02545   0.25563   0.22628  -0.28558
   D172      -1.57833   0.00038  -0.01240   0.09839   0.08922  -1.48911
   D173       1.71336   0.00054  -0.02471   0.17099   0.14469   1.85804
   D174      -2.91782   0.00040  -0.00796   0.09319   0.08577  -2.83205
   D175       0.37387   0.00056  -0.02026   0.16579   0.14124   0.51511
   D176       0.86139  -0.00018   0.03203  -0.29473  -0.25129   0.61011
   D177      -2.95049  -0.00043   0.00244  -0.05252  -0.04868  -2.99916
   D178       1.63975   0.00015   0.00389  -0.04052  -0.03709   1.60267
   D179      -1.35696   0.00051   0.00431  -0.06384  -0.05810  -1.41506
   D180       0.17314  -0.00067   0.00233  -0.05187  -0.04726   0.12588
   D181       1.83166  -0.00009  -0.00659  -0.01431  -0.01621   1.81545
   D182      -1.33669   0.00016  -0.00269  -0.00229  -0.00304  -1.33973
   D183      -2.98640   0.00009  -0.00648   0.01193   0.00827  -2.97813
   D184       0.29736   0.00030  -0.00092  -0.03090  -0.02769   0.26967
   D185      -1.40866  -0.00091   0.00511  -0.00685  -0.00436  -1.41302
   D186      -2.98853   0.00010  -0.00408   0.07592   0.06353  -2.92499
   D187       0.06098  -0.00015  -0.00813   0.02101   0.01562   0.07660
   D188       2.58557   0.00000   0.01317   0.02259   0.04336   2.62893
   D189      -0.42737   0.00021  -0.00414   0.08225   0.08764  -0.33972
   D190       0.61826   0.00087  -0.00545   0.08030   0.07314   0.69140
   D191      -2.54847   0.00096  -0.00512   0.08045   0.07324  -2.47523
   D192       0.08146   0.00000   0.00344  -0.03649  -0.03474   0.04672
   D193      -3.10030  -0.00005   0.00080   0.00583   0.00545  -3.09486
   D194      -3.03583  -0.00009   0.00312  -0.03672  -0.03495  -3.07078
   D195       0.06559  -0.00014   0.00048   0.00560   0.00524   0.07083
   D196      -1.11757   0.00000   0.00102  -0.01109  -0.00939  -1.12696
   D197       0.92962  -0.00002   0.00108  -0.01198  -0.00953   0.92010
   D198       3.05746  -0.00018   0.00138  -0.01810  -0.01669   3.04077
   D199       2.00018   0.00011   0.00130  -0.01106  -0.00938   1.99079
   D200      -2.23582   0.00010   0.00136  -0.01194  -0.00952  -2.24534
   D201      -0.10798  -0.00006   0.00166  -0.01807  -0.01668  -0.12466
   D202      -1.33308  -0.00023   0.00743  -0.06773  -0.06102  -1.39411
   D203       0.73585  -0.00048   0.00743  -0.07878  -0.07192   0.66393
   D204       2.80389  -0.00062   0.00690  -0.07231  -0.06533   2.73856
   D205       1.84856  -0.00017   0.01006  -0.10981  -0.10109   1.74747
   D206      -2.36569  -0.00043   0.01006  -0.12086  -0.11198  -2.47768
   D207      -0.29765  -0.00057   0.00953  -0.11439  -0.10539  -0.40304
   D208       0.49231  -0.00018  -0.00602   0.09708   0.08993   0.58223
   D209      -2.69251  -0.00064  -0.00188   0.03224   0.02988  -2.66263
   D210      -1.60729   0.00036  -0.00747   0.11596   0.10792  -1.49937
   D211       1.49107  -0.00009  -0.00333   0.05112   0.04787   1.53894
   D212       2.62300  -0.00002  -0.00625   0.09932   0.09223   2.71523
   D213      -0.56183  -0.00047  -0.00212   0.03448   0.03218  -0.52964
   D214       1.17599   0.00060   0.00377  -0.05790  -0.05359   1.12240
   D215      -1.91861   0.00109  -0.00067   0.01228   0.01094  -1.90767
   D216      -0.22573   0.00072   0.00069   0.01164   0.01242  -0.21331
   D217      -3.01186   0.00033  -0.00215   0.02004   0.01800  -2.99386
   D218       2.87168   0.00022   0.00481  -0.05552  -0.05085   2.82083
   D219       0.08555  -0.00018   0.00197  -0.04711  -0.04526   0.04029
   D220      -2.44593   0.00010   0.00417  -0.01926  -0.01533  -2.46126
   D221      -0.35408  -0.00001   0.00472  -0.02762  -0.02302  -0.37710
   D222       1.73623  -0.00001   0.00416  -0.01843  -0.01458   1.72165
   D223       1.04194   0.00008   0.00077  -0.00755  -0.00654   1.03540
   D224       3.13379  -0.00004   0.00132  -0.01591  -0.01423   3.11956
   D225      -1.05910  -0.00004   0.00076  -0.00672  -0.00578  -1.06488
         Item               Value     Threshold  Converged?
 Maximum Force            0.003375     0.000450     NO 
 RMS     Force            0.000611     0.000300     NO 
 Maximum Displacement     1.174108     0.001800     NO 
 RMS     Displacement     0.186425     0.001200     NO 
 Predicted change in Energy=-1.498295D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.679964    2.716788    3.609315
      2          6           0       -3.026890    1.300018    3.789822
      3          6           0       -1.741722    1.126681    3.016848
      4          6           0       -1.466197    0.566847    1.781098
      5          7           0       -0.484580    1.529340    3.509910
      6          6           0        0.478626    1.210774    2.574007
      7          7           0       -0.088121    0.616995    1.517912
      8          6           0       -5.055061    1.261329    0.192503
      9          6           0       -5.867703    0.338771   -0.763524
     10          6           0       -5.367290   -1.133843   -0.779908
     11          6           0       -3.885603   -1.183008   -1.110971
     12          8           0       -3.397241   -0.507486   -2.078179
     13          8           0       -3.101524   -1.895085   -0.260071
     14          6           0       -1.920082    4.437310   -2.939538
     15          6           0       -0.458063    4.256800   -3.412871
     16          6           0        0.177491    2.995221   -2.885381
     17          6           0        0.078385    2.344603   -1.663955
     18          7           0        1.076743    2.217065   -3.631354
     19          6           0        1.503608    1.167372   -2.855895
     20          7           0        0.914337    1.216186   -1.652511
     21          6           0        5.108512    3.539258    1.325430
     22          6           0        5.535046    2.105568    1.722054
     23          6           0        4.452904    1.092792    1.452266
     24          6           0        3.345472    1.136915    0.618638
     25          7           0        4.429039   -0.196674    2.015057
     26          6           0        3.338972   -0.875468    1.520298
     27          7           0        2.661634   -0.084706    0.678579
     28         30           0        0.806153   -0.443148   -0.246510
     29          1           0       -4.605115    2.772440    4.198698
     30          1           0       -3.932726    2.910185    2.541225
     31          1           0       -2.996910    3.535417    3.959813
     32          1           0       -3.754541    0.516413    3.446399
     33          1           0       -2.834867    1.100565    4.880126
     34          1           0       -2.144310    0.123545    1.072130
     35          1           0       -0.326089    1.978819    4.403313
     36          1           0        1.533424    1.399126    2.697167
     37          1           0       -4.027763    1.379328   -0.173140
     38          1           0       -5.013100    0.839036    1.210003
     39          1           0       -5.509844    2.255905    0.251610
     40          1           0       -6.924755    0.341679   -0.461157
     41          1           0       -5.817029    0.737365   -1.785210
     42          1           0       -5.526129   -1.617789    0.191781
     43          1           0       -5.923225   -1.704881   -1.538555
     44          1           0       -2.554131    3.609239   -3.273909
     45          1           0       -2.337742    5.372470   -3.335543
     46          1           0       -1.970889    4.485326   -1.842259
     47          1           0       -0.436272    4.256936   -4.511932
     48          1           0        0.136907    5.124241   -3.091042
     49          1           0       -0.541116    2.593486   -0.821671
     50          1           0        1.354314    2.400337   -4.587660
     51          1           0        2.178676    0.393632   -3.187631
     52          1           0        4.879300    3.599472    0.254360
     53          1           0        4.223953    3.861006    1.887713
     54          1           0        5.922363    4.246297    1.529342
     55          1           0        5.818491    2.082371    2.784244
     56          1           0        6.440030    1.837259    1.155036
     57          1           0        2.991779    1.946195    0.002230
     58          1           0        5.119985   -0.575630    2.650955
     59          1           0        3.070657   -1.891315    1.763604
     60          8           0       -1.021068   -0.872373   -0.852784
     61          1           0       -1.470658   -0.408317   -1.601526
     62          1           0       -1.935794   -1.501273   -0.466952
     63          6           0        2.177649   -2.994031   -1.869856
     64          8           0        1.872432   -1.766911   -1.731701
     65          7           0        1.317709   -3.997200   -1.521831
     66          6           0       -0.039113   -3.746013   -1.018143
     67          6           0       -0.047615   -3.365785    0.478730
     68          8           0        0.918879   -2.701125    0.972353
     69          7           0       -1.177914   -3.670955    1.164161
     70          1           0       -0.468908   -2.894458   -1.561392
     71          1           0       -0.656047   -4.631525   -1.197819
     72          1           0        1.630205   -4.958155   -1.615453
     73          1           0       -1.999604   -3.945002    0.629633
     74          6           0       -1.424117   -3.218276    2.544980
     75          1           0       -1.911769   -4.021762    3.107346
     76          1           0       -0.466113   -2.977838    3.010203
     77          1           0       -2.066896   -2.330532    2.554419
     78          6           0        3.513705   -3.405601   -2.464079
     79          1           0        3.563511   -3.073525   -3.510178
     80          1           0        4.317420   -2.899784   -1.918187
     81          1           0        3.687279   -4.488515   -2.432474
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0957052      0.0729485      0.0673825
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4916.5830854637 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33775 LenP2D=  122451.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.47D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.996996   -0.076263    0.002927    0.013210 Ang=  -8.88 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.96463764     A.U. after   13 cycles
            NFock= 13  Conv=0.85D-08     -V/T= 1.9788
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33775 LenP2D=  122451.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.004324150    0.007205674    0.002446315
      3        6          -0.001858921    0.000997959    0.004161443
      4        6           0.001286206    0.000935480   -0.002478912
      5        7           0.000930926   -0.001063567   -0.001972428
      6        6           0.001546793    0.001707948    0.003992970
      7        7           0.001619813    0.001484844   -0.002117045
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000078242   -0.000791032    0.003099925
     10        6           0.000594152   -0.000617248    0.001255498
     11        6          -0.007310294   -0.001133485    0.002772701
     12        8           0.000820398    0.006536769    0.003927232
     13        8           0.009594627   -0.001292957   -0.005729390
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000877618    0.000921290   -0.000561607
     16        6           0.001754171    0.001006344   -0.001169542
     17        6          -0.001977021   -0.001198144   -0.000626539
     18        7          -0.000408966   -0.002870936    0.001926221
     19        6          -0.001376073    0.002403379   -0.001208600
     20        7           0.000344539    0.000934179   -0.002317778
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000391981   -0.000681718   -0.000759212
     23        6          -0.001648462   -0.000993503   -0.000867202
     24        6          -0.000140631    0.001393805    0.002542704
     25        7          -0.000695168   -0.001473978   -0.001619899
     26        6           0.001263604   -0.000342468   -0.001824101
     27        7          -0.004649613    0.001658313   -0.001348059
     28       30           0.000202906   -0.008484815    0.003172038
     29        1          -0.000366030   -0.001245478   -0.000655886
     30        1          -0.004882761    0.003670648    0.010588374
     31        1           0.004094324    0.012357946   -0.007295295
     32        1          -0.005707522   -0.013312387    0.007763291
     33        1           0.005602885   -0.004590069   -0.013265063
     34        1           0.000035560    0.000334002    0.001233566
     35        1          -0.000656106   -0.000359812   -0.000591053
     36        1           0.001419004    0.000211613    0.000849254
     37        1           0.000055412   -0.000209077    0.000005745
     38        1           0.001431864   -0.000704552   -0.001560709
     39        1           0.001384000   -0.000612282    0.000272840
     40        1          -0.000189914    0.000005212   -0.000321963
     41        1          -0.000363232   -0.000176753    0.001139536
     42        1           0.000128830   -0.000577767   -0.001043935
     43        1           0.000373708   -0.000993349    0.000728592
     44        1          -0.000535368    0.000421028   -0.000243527
     45        1          -0.001061839    0.000637169    0.000422602
     46        1           0.000815228   -0.000205819   -0.001568550
     47        1          -0.000947618    0.000497564   -0.000195343
     48        1           0.000500838   -0.000215727   -0.000344110
     49        1           0.000354401    0.000174145    0.002073214
     50        1          -0.000272274    0.000071358    0.000418434
     51        1           0.000758248   -0.000037014    0.000850969
     52        1           0.000154587    0.000063066    0.000224314
     53        1           0.000025464   -0.000211226    0.000038752
     54        1           0.000630223    0.000847857   -0.000116432
     55        1           0.000639476   -0.000028187    0.000307171
     56        1           0.000045924    0.000447644    0.000485456
     57        1          -0.000359617    0.000340676   -0.000070717
     58        1           0.000597182   -0.000238897    0.000390870
     59        1           0.001157979   -0.000186080    0.001033070
     60        8           0.000590327    0.006552494   -0.003963353
     61        1          -0.004120457   -0.001102555    0.000005435
     62        1          -0.000841346   -0.005153716   -0.000406724
     63        6           0.002518727    0.002821938    0.000502595
     64        8          -0.000531873    0.000084930   -0.000352653
     65        7          -0.000528926   -0.001654025   -0.001001045
     66        6          -0.003989743    0.003251055    0.000731688
     67        6           0.007343770   -0.002517562   -0.002793256
     68        8          -0.002249372   -0.001405015    0.001607255
     69        7          -0.000516014   -0.001778351   -0.000299215
     70        1          -0.000271350    0.000592991    0.001522107
     71        1          -0.000166083    0.000056029   -0.000765094
     72        1           0.000988662   -0.001154882    0.000857123
     73        1          -0.000752760    0.000666078    0.000038753
     74        6          -0.001215710    0.001652139   -0.000975923
     75        1          -0.000045472   -0.000171046    0.000307169
     76        1           0.000254745   -0.000156296    0.000138586
     77        1          -0.000368380   -0.000390444   -0.001005321
     78        6          -0.000059529    0.000069085   -0.000243702
     79        1           0.000000199    0.000750926    0.001439582
     80        1           0.000103095    0.000054077   -0.000395617
     81        1           0.001254385   -0.001235223    0.000276754
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.013312387 RMS     0.002674285

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.016432075 RMS     0.001830040
 Search for a local minimum.
 Step number  17 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- RFO/linear search
 Update second derivatives using D2CorX and points   16   17
 DE= -8.21D-04 DEPred=-1.50D-03 R= 5.48D-01
 TightC=F SS=  1.41D+00  RLast= 1.29D+00 DXNew= 5.0454D+00 3.8850D+00
 Trust test= 5.48D-01 RLast= 1.29D+00 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00099   0.00230   0.00230   0.00232   0.00233
     Eigenvalues ---    0.00352   0.00379   0.00440   0.00528   0.00531
     Eigenvalues ---    0.00585   0.00651   0.00723   0.00739   0.00751
     Eigenvalues ---    0.00796   0.00859   0.00885   0.00981   0.01209
     Eigenvalues ---    0.01274   0.01290   0.01374   0.01406   0.01473
     Eigenvalues ---    0.01493   0.01558   0.01619   0.01666   0.01757
     Eigenvalues ---    0.01836   0.01841   0.01869   0.01882   0.01899
     Eigenvalues ---    0.01928   0.01989   0.02028   0.02108   0.02221
     Eigenvalues ---    0.02259   0.02278   0.02293   0.02324   0.02421
     Eigenvalues ---    0.02608   0.02936   0.03193   0.03480   0.03797
     Eigenvalues ---    0.03990   0.04105   0.04191   0.04240   0.04512
     Eigenvalues ---    0.04706   0.04873   0.05105   0.05330   0.05375
     Eigenvalues ---    0.05388   0.05391   0.05397   0.05444   0.05477
     Eigenvalues ---    0.05525   0.05539   0.05553   0.05579   0.05804
     Eigenvalues ---    0.05945   0.06127   0.06889   0.06899   0.07190
     Eigenvalues ---    0.07421   0.07468   0.07623   0.07953   0.08272
     Eigenvalues ---    0.08401   0.08947   0.09275   0.09385   0.09414
     Eigenvalues ---    0.09453   0.09645   0.09884   0.10705   0.11071
     Eigenvalues ---    0.11615   0.12327   0.12818   0.12886   0.12987
     Eigenvalues ---    0.13070   0.13518   0.14708   0.15223   0.15522
     Eigenvalues ---    0.15877   0.15919   0.15957   0.15981   0.15986
     Eigenvalues ---    0.15995   0.15998   0.15999   0.15999   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16005   0.16007
     Eigenvalues ---    0.16014   0.16020   0.16056   0.16069   0.16107
     Eigenvalues ---    0.16135   0.16195   0.16368   0.16973   0.17608
     Eigenvalues ---    0.18167   0.18425   0.20319   0.20618   0.21349
     Eigenvalues ---    0.21487   0.21984   0.22220   0.22352   0.22382
     Eigenvalues ---    0.22819   0.22952   0.23132   0.23423   0.23625
     Eigenvalues ---    0.23852   0.24340   0.24654   0.24701   0.24910
     Eigenvalues ---    0.25016   0.25211   0.26094   0.27318   0.27607
     Eigenvalues ---    0.27955   0.28194   0.28279   0.28922   0.30202
     Eigenvalues ---    0.30464   0.30693   0.31417   0.31522   0.31736
     Eigenvalues ---    0.32936   0.33610   0.33617   0.33650   0.33658
     Eigenvalues ---    0.33675   0.33790   0.33821   0.33832   0.33894
     Eigenvalues ---    0.33926   0.33938   0.33977   0.33984   0.33986
     Eigenvalues ---    0.34010   0.34040   0.34051   0.34075   0.34085
     Eigenvalues ---    0.34125   0.34139   0.34171   0.34176   0.34183
     Eigenvalues ---    0.34230   0.34261   0.34301   0.34477   0.34615
     Eigenvalues ---    0.35629   0.35755   0.35874   0.36081   0.36241
     Eigenvalues ---    0.36337   0.36475   0.36708   0.38954   0.39420
     Eigenvalues ---    0.39898   0.42240   0.42586   0.42677   0.45127
     Eigenvalues ---    0.45298   0.45450   0.45461   0.45583   0.45592
     Eigenvalues ---    0.45633   0.45710   0.45932   0.48885   0.49109
     Eigenvalues ---    0.49496   0.49693   0.49859   0.52371   0.54641
     Eigenvalues ---    0.54872   0.55020   0.56065   0.70000   0.73036
     Eigenvalues ---    0.763581000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 RFO step:  Lambda=-2.53911804D-03 EMin= 9.86723832D-04
 Quartic linear search produced a step of -0.41855.
 Iteration  1 RMS(Cart)=  0.05079500 RMS(Int)=  0.00086173
 Iteration  2 RMS(Cart)=  0.00089243 RMS(Int)=  0.00069717
 New curvilinear step failed, DQL= 8.70D-06 SP=-1.21D-01.
 ITry= 1 IFail=1 DXMaxC= 2.33D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05237792 RMS(Int)=  0.00090205
 Iteration  2 RMS(Cart)=  0.00099504 RMS(Int)=  0.00068344
 New curvilinear step failed, DQL= 1.11D-05 SP=-9.21D-02.
 ITry= 2 IFail=1 DXMaxC= 2.42D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05438167 RMS(Int)=  0.00096566
 Iteration  2 RMS(Cart)=  0.00114905 RMS(Int)=  0.00066620
 New curvilinear step failed, DQL= 1.44D-05 SP=-6.74D-02.
 ITry= 3 IFail=1 DXMaxC= 2.66D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05676165 RMS(Int)=  0.00105475
 Iteration  2 RMS(Cart)=  0.00135037 RMS(Int)=  0.00064546
 New curvilinear step failed, DQL= 1.88D-05 SP=-4.51D-02.
 ITry= 4 IFail=1 DXMaxC= 2.93D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05947278 RMS(Int)=  0.00117016
 Iteration  2 RMS(Cart)=  0.00159457 RMS(Int)=  0.00062120
 New curvilinear step failed, DQL= 2.45D-05 SP=-2.62D-02.
 ITry= 5 IFail=1 DXMaxC= 3.21D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06241313 RMS(Int)=  0.00131074
 Iteration  2 RMS(Cart)=  0.00186366 RMS(Int)=  0.00059343
 New curvilinear step failed, DQL= 3.18D-05 SP=-1.23D-02.
 ITry= 6 IFail=1 DXMaxC= 3.49D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06555983 RMS(Int)=  0.00147516
 Iteration  2 RMS(Cart)=  0.00216210 RMS(Int)=  0.00056216
 Iteration  3 RMS(Cart)=  0.00000333 RMS(Int)=  0.00056216
 New curvilinear step failed, DQL= 2.83D-05 SP=-1.69D-04.
 ITry= 7 IFail=1 DXMaxC= 3.78D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06890610 RMS(Int)=  0.00166249
 Iteration  2 RMS(Cart)=  0.00249644 RMS(Int)=  0.00052742
 Iteration  3 RMS(Cart)=  0.00001267 RMS(Int)=  0.00052741
 New curvilinear step failed, DQL= 1.15D-07 SP=-1.53D-01.
 ITry= 8 IFail=1 DXMaxC= 4.06D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07242241 RMS(Int)=  0.00187160
 Iteration  2 RMS(Cart)=  0.00286561 RMS(Int)=  0.00048926
 Iteration  3 RMS(Cart)=  0.00001544 RMS(Int)=  0.00048923
 New curvilinear step failed, DQL= 1.36D-07 SP=-1.62D-01.
 ITry= 9 IFail=1 DXMaxC= 4.35D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07608288 RMS(Int)=  0.00210146
 Iteration  2 RMS(Cart)=  0.00326916 RMS(Int)=  0.00044776
 Iteration  3 RMS(Cart)=  0.00001870 RMS(Int)=  0.00044770
 New curvilinear step failed, DQL= 1.57D-07 SP=-1.65D-01.
 ITry=10 IFail=1 DXMaxC= 4.63D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.01015901 RMS(Int)=  0.01043880 XScale=  5.01040414
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.01015686 RMS(Int)=  0.00784821 XScale=  2.50685874
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.01014848 RMS(Int)=  0.00526821 XScale=  1.67200785
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.01012834 RMS(Int)=  0.00271779 XScale=  1.25412599
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.01007551 RMS(Int)=  0.00068586 XScale=  1.00244342
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00031986 RMS(Int)=  0.00066232 XScale=  1.00094528
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00000264 RMS(Int)=  0.00066231 XScale=  1.00101832
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00000263 RMS(Int)=  0.00066230 XScale=  1.00109142
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00000262 RMS(Int)=  0.00066230 XScale=  1.00116458
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.00000261 RMS(Int)=  0.00066229 XScale=  1.00123781
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.00000259 RMS(Int)=  0.00066229 XScale=  1.00131105
 RedQX1 iteration     2 Try  6 RMS(Cart)=  0.00000016 RMS(Int)=  0.00066229 XScale=  1.00131084
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00000000 RMS(Int)=  0.00066229 XScale=  1.00131079
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00007540 RMS(Int)=  0.00008599 XScale=  5.08638326
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00007534 RMS(Int)=  0.00006577 XScale=  2.54324308
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00007525 RMS(Int)=  0.00004619 XScale=  1.69552354
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00007513 RMS(Int)=  0.00002860 XScale=  1.27165324
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00007489 RMS(Int)=  0.00001945 XScale=  1.01730407
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000089 RMS(Int)=  0.00001944 XScale=  1.01727519
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48463   0.00448  -0.00007   0.00000  -0.00009   8.48454
    Y1       -0.92766   0.00620   0.00004   0.00000   0.00000  -0.92766
    Z1        7.47511   0.00091  -0.00005   0.00000  -0.00010   7.47501
    X8       10.19798   0.00224   0.00005   0.00000   0.00004  10.19803
    Y8        1.20632  -0.00437  -0.00007   0.00000  -0.00004   1.20628
    Z8        0.50958   0.00306   0.00006   0.00000   0.00008   0.50965
   X14        7.21041  -0.00010  -0.00002   0.00000   0.00000   7.21041
   Y14       -7.64145   0.00119   0.00003   0.00000   0.00003  -7.64142
   Z14       -3.84243  -0.00257  -0.00004   0.00000  -0.00002  -3.84246
   X21       -6.13884   0.00105   0.00004   0.00000   0.00005  -6.13880
   Y21       -9.38867  -0.00077  -0.00001   0.00000   0.00001  -9.38866
   Z21        4.09462   0.00008   0.00003   0.00000   0.00004   4.09466
    R1        2.96773  -0.00986  -0.01618  -0.01499  -0.03210   2.93563
    R2        2.07558  -0.00109  -0.00120  -0.00165  -0.00285   2.07273
    R3        2.10610  -0.01217  -0.01611  -0.01661  -0.03272   2.07338
    R4        2.12085  -0.01491  -0.01924  -0.02064  -0.03988   2.08096
    R5        2.85292  -0.00247   0.00013  -0.00434  -0.00359   2.84933
    R6        2.12243  -0.01643  -0.02061  -0.02386  -0.04447   2.07796
    R7        2.12577  -0.01503  -0.01963  -0.02218  -0.04181   2.08396
    R8        2.61603   0.00184   0.00527   0.00080   0.00591   2.62194
    R9        2.66287  -0.00272  -0.00325  -0.00288  -0.00572   2.65715
   R10        2.65295   0.00118   0.00240   0.00083   0.00328   2.65623
   R11        2.03441  -0.00075   0.00094  -0.00203  -0.00109   2.03332
   R12        2.60835  -0.00334  -0.00470  -0.00215  -0.00625   2.60209
   R13        1.91350  -0.00045  -0.00051  -0.00035  -0.00086   1.91264
   R14        2.52765   0.00264   0.00162   0.00083   0.00243   2.53009
   R15        2.03814  -0.00116  -0.00050  -0.00135  -0.00185   2.03630
   R16        4.24108   0.00272   0.10446  -0.05346   0.05116   4.29225
   R17        2.94306  -0.00511  -0.00919  -0.00807  -0.01610   2.92695
   R18        2.07264   0.00006  -0.00084  -0.00035  -0.00119   2.07145
   R19        2.08333  -0.00197  -0.00186  -0.00325  -0.00511   2.07822
   R20        2.06966   0.00146   0.00237   0.00110   0.00347   2.07314
   R21        2.93928  -0.00146  -0.00566  -0.00156  -0.00588   2.93340
   R22        2.07766  -0.00024  -0.00006  -0.00094  -0.00100   2.07666
   R23        2.07465  -0.00090  -0.00121  -0.00125  -0.00246   2.07219
   R24        2.87053   0.00098   0.00068   0.00142   0.00184   2.87237
   R25        2.07321  -0.00118  -0.00094  -0.00190  -0.00284   2.07037
   R26        2.07929  -0.00098  -0.00035  -0.00187  -0.00222   2.07707
   R27        2.41288  -0.00576  -0.00423  -0.00416  -0.00909   2.40379
   R28        2.56743  -0.00985  -0.00698  -0.00523  -0.01106   2.55637
   R29        3.75516   0.00146  -0.04981   0.04572  -0.00535   3.74982
   R30        2.35786   0.00374  -0.01156   0.01114   0.00010   2.35796
   R31        2.92397  -0.00037  -0.00064   0.00043  -0.00076   2.92321
   R32        2.06968   0.00032  -0.00034   0.00055   0.00022   2.06990
   R33        2.07507  -0.00126  -0.00114  -0.00202  -0.00315   2.07192
   R34        2.07776  -0.00157  -0.00172  -0.00156  -0.00328   2.07448
   R35        2.84952  -0.00078  -0.00030  -0.00029  -0.00111   2.84840
   R36        2.07733   0.00006   0.00030  -0.00039  -0.00010   2.07723
   R37        2.07871  -0.00009  -0.00007  -0.00050  -0.00056   2.07815
   R38        2.62189  -0.00027  -0.00030   0.00005   0.00044   2.62233
   R39        2.65280  -0.00001   0.00105  -0.00090  -0.00032   2.65247
   R40        2.65389  -0.00060   0.00054  -0.00114  -0.00060   2.65329
   R41        2.03105   0.00189   0.00360  -0.00082   0.00278   2.03383
   R42        2.59478   0.00076   0.00099   0.00040   0.00064   2.59542
   R43        1.91335  -0.00036  -0.00027  -0.00042  -0.00068   1.91266
   R44        2.53375  -0.00100  -0.00120  -0.00072  -0.00193   2.53182
   R45        2.03919  -0.00101  -0.00162  -0.00029  -0.00191   2.03728
   R46        4.11506  -0.00143   0.00307  -0.00999  -0.00707   4.10799
   R47        2.92432  -0.00131  -0.00183  -0.00261  -0.00400   2.92032
   R48        2.07298  -0.00018  -0.00016  -0.00025  -0.00041   2.07258
   R49        2.07193   0.00001   0.00013  -0.00066  -0.00053   2.07139
   R50        2.07340  -0.00103  -0.00119  -0.00122  -0.00240   2.07100
   R51        2.84687  -0.00133  -0.00095  -0.00195  -0.00279   2.84408
   R52        2.07795   0.00010   0.00068  -0.00055   0.00014   2.07809
   R53        2.08084  -0.00038  -0.00115  -0.00018  -0.00133   2.07951
   R54        2.62072  -0.00097  -0.00194   0.00104  -0.00143   2.61929
   R55        2.65910  -0.00138  -0.00078  -0.00168  -0.00218   2.65691
   R56        2.64804  -0.00077  -0.00006  -0.00069  -0.00092   2.64712
   R57        2.03529  -0.00042  -0.00096   0.00000  -0.00096   2.03433
   R58        2.60055   0.00091   0.00019   0.00030   0.00093   2.60149
   R59        1.91356  -0.00031  -0.00036  -0.00016  -0.00051   1.91304
   R60        2.53010  -0.00219  -0.00229  -0.00090  -0.00318   2.52692
   R61        2.03805  -0.00032  -0.00020  -0.00026  -0.00047   2.03758
   R62        3.97610   0.00148  -0.01588   0.01807   0.00204   3.97814
   R63        3.72738   0.00290  -0.01158   0.01848   0.00621   3.73359
   R64        4.26555  -0.00118  -0.01107  -0.00172  -0.01310   4.25245
   R65        4.85362  -0.00120  -0.00855  -0.00636  -0.01512   4.83850
   R66        1.86891  -0.00248   0.00156  -0.00434  -0.00320   1.86571
   R67        2.22081  -0.00127   0.01278  -0.01356  -0.00069   2.22013
   R68        2.40379  -0.00109  -0.00097  -0.00216  -0.00315   2.40065
   R69        2.58206  -0.00252  -0.00311  -0.00220  -0.00489   2.57718
   R70        2.87060  -0.00155  -0.00154  -0.00225  -0.00379   2.86681
   R71        2.77588  -0.00203  -0.00306  -0.00237  -0.00497   2.77091
   R72        1.91773  -0.00170  -0.00160  -0.00192  -0.00352   1.91421
   R73        2.91856  -0.00193  -0.00366  -0.00140  -0.00484   2.91371
   R74        2.07439  -0.00108   0.00005  -0.00179  -0.00174   2.07265
   R75        2.06752   0.00028   0.00022  -0.00012   0.00010   2.06762
   R76        2.40489   0.00289   0.00122   0.00104   0.00197   2.40686
   R77        2.56371  -0.00262  -0.00136  -0.00207  -0.00343   2.56028
   R78        1.92344  -0.00024  -0.00013  -0.00019  -0.00032   1.92312
   R79        2.78515  -0.00182  -0.00043  -0.00263  -0.00306   2.78209
   R80        2.06979  -0.00006  -0.00076   0.00026  -0.00050   2.06929
   R81        2.06319  -0.00006  -0.00024   0.00006  -0.00017   2.06302
   R82        2.07125  -0.00027  -0.00039  -0.00026  -0.00066   2.07059
   R83        2.07619  -0.00161  -0.00154  -0.00274  -0.00428   2.07191
   R84        2.06993  -0.00033  -0.00091  -0.00011  -0.00102   2.06891
   R85        2.07339  -0.00173  -0.00202  -0.00234  -0.00436   2.06903
    A1        1.91167   0.00196   0.00434   0.00907   0.01343   1.92510
    A2        1.94015  -0.00179   0.00013  -0.00960  -0.00949   1.93066
    A3        1.94878  -0.00078  -0.00432  -0.00123  -0.00558   1.94320
    A4        1.89066   0.00014  -0.00114   0.00276   0.00166   1.89232
    A5        1.88399  -0.00022   0.00195  -0.00066   0.00128   1.88528
    A6        1.88678   0.00073  -0.00092  -0.00010  -0.00109   1.88570
    A7        1.98093   0.00294   0.00970   0.00492   0.01693   1.99787
    A8        1.90165  -0.00071   0.00068  -0.00202  -0.00190   1.89975
    A9        1.92021  -0.00215  -0.00973  -0.00560  -0.01596   1.90425
   A10        1.89110  -0.00097   0.00654  -0.00480   0.00114   1.89224
   A11        1.90772   0.00036  -0.00498   0.00779   0.00209   1.90981
   A12        1.85798   0.00039  -0.00301  -0.00068  -0.00346   1.85452
   A13        2.30893  -0.00115   0.01580  -0.00981   0.00548   2.31441
   A14        2.15016   0.00004  -0.01495   0.00694  -0.00724   2.14292
   A15        1.82383   0.00112  -0.00089   0.00304   0.00186   1.82570
   A16        1.92653  -0.00092  -0.00139  -0.00088  -0.00200   1.92453
   A17        2.25108  -0.00042   0.00649  -0.00642  -0.00008   2.25101
   A18        2.10547   0.00133  -0.00514   0.00739   0.00210   2.10757
   A19        1.89585   0.00008   0.00254  -0.00336  -0.00068   1.89517
   A20        2.18365   0.00075  -0.00091   0.00381   0.00283   2.18648
   A21        2.20368  -0.00083  -0.00164  -0.00046  -0.00216   2.20152
   A22        1.91999   0.00182   0.00135   0.00471   0.00573   1.92572
   A23        2.17092  -0.00210  -0.00382  -0.00319  -0.00690   2.16401
   A24        2.19207   0.00029   0.00250  -0.00130   0.00134   2.19341
   A25        1.85851  -0.00210  -0.00159  -0.00342  -0.00488   1.85363
   A26        2.11959   0.00131   0.01278   0.00137   0.01205   2.13164
   A27        2.29375   0.00080  -0.01081   0.00315  -0.00586   2.28789
   A28        1.92604   0.00055   0.00646  -0.00341   0.00306   1.92910
   A29        1.93854  -0.00067  -0.00413   0.00243  -0.00168   1.93686
   A30        1.93306  -0.00063  -0.00080  -0.00242  -0.00319   1.92987
   A31        1.88941   0.00049   0.00638  -0.00129   0.00510   1.89450
   A32        1.88517   0.00016  -0.00264   0.00257  -0.00006   1.88511
   A33        1.89004   0.00013  -0.00540   0.00223  -0.00314   1.88690
   A34        1.98169  -0.00063  -0.00463  -0.00237  -0.00506   1.97664
   A35        1.90846   0.00040   0.00152   0.00251   0.00364   1.91210
   A36        1.90934  -0.00034  -0.00004  -0.00312  -0.00391   1.90543
   A37        1.89096   0.00016   0.00223   0.00154   0.00319   1.89415
   A38        1.89556   0.00048   0.00071   0.00089   0.00100   1.89657
   A39        1.87481  -0.00003   0.00045   0.00075   0.00149   1.87630
   A40        1.92491   0.00137   0.00389   0.00089   0.00401   1.92892
   A41        1.94092  -0.00039   0.00120  -0.00018   0.00157   1.94249
   A42        1.91353  -0.00083   0.00203  -0.00757  -0.00569   1.90784
   A43        1.89650  -0.00024  -0.00106   0.00125   0.00026   1.89676
   A44        1.90262  -0.00020  -0.00239   0.00232   0.00039   1.90301
   A45        1.88451   0.00029  -0.00399   0.00347  -0.00062   1.88389
   A46        2.11887  -0.00001   0.00078   0.00267   0.00176   2.12063
   A47        2.03018   0.00047   0.00334  -0.00037   0.00384   2.03402
   A48        2.13055  -0.00042  -0.00329  -0.00169  -0.00419   2.12636
   A49        1.78802   0.00258   0.00072   0.00253   0.00255   1.79058
   A50        1.84411   0.00078  -0.00128   0.00191   0.00157   1.84567
   A51        1.94487  -0.00098  -0.00207  -0.00205  -0.00412   1.94076
   A52        1.92668  -0.00036  -0.00209   0.00063  -0.00147   1.92522
   A53        1.93269   0.00138   0.00256   0.00295   0.00551   1.93820
   A54        1.88978   0.00061   0.00361  -0.00136   0.00225   1.89203
   A55        1.88699  -0.00018  -0.00055  -0.00012  -0.00067   1.88632
   A56        1.88088  -0.00046  -0.00138  -0.00010  -0.00148   1.87940
   A57        1.97018  -0.00007   0.00033   0.00278   0.00242   1.97260
   A58        1.90135   0.00100   0.00264   0.00113   0.00365   1.90500
   A59        1.90665  -0.00057  -0.00150  -0.00131  -0.00228   1.90437
   A60        1.91931  -0.00103  -0.00699  -0.00108  -0.00786   1.91145
   A61        1.90651   0.00074   0.00557  -0.00134   0.00443   1.91094
   A62        1.85635  -0.00006  -0.00007  -0.00037  -0.00054   1.85582
   A63        2.30525   0.00079   0.00937  -0.00446   0.00564   2.31089
   A64        2.15062  -0.00043  -0.00920   0.00575  -0.00454   2.14607
   A65        1.82722  -0.00036  -0.00015  -0.00134  -0.00112   1.82610
   A66        1.91925  -0.00010  -0.00111   0.00115  -0.00064   1.91861
   A67        2.24271   0.00064   0.00641  -0.00305   0.00369   2.24640
   A68        2.12090  -0.00055  -0.00520   0.00164  -0.00321   2.11768
   A69        1.89948   0.00047   0.00094   0.00119   0.00200   1.90148
   A70        2.18606  -0.00003  -0.00146   0.00056  -0.00086   2.18521
   A71        2.19760  -0.00044   0.00034  -0.00181  -0.00143   2.19617
   A72        1.92028  -0.00102  -0.00200  -0.00077  -0.00244   1.91784
   A73        2.17610   0.00105   0.00316   0.00125   0.00426   2.18036
   A74        2.18580  -0.00001  -0.00091  -0.00045  -0.00150   2.18429
   A75        1.85828   0.00105   0.00237   0.00000   0.00245   1.86074
   A76        2.19933  -0.00119  -0.00328   0.00061  -0.00092   2.19841
   A77        2.18167   0.00019  -0.00017   0.00123  -0.00083   2.18084
   A78        1.93767   0.00014   0.00183  -0.00036   0.00147   1.93914
   A79        1.94207   0.00017  -0.00047   0.00036  -0.00011   1.94196
   A80        1.92297   0.00006   0.00159  -0.00112   0.00048   1.92345
   A81        1.89235  -0.00017  -0.00094  -0.00002  -0.00096   1.89139
   A82        1.87662   0.00003  -0.00036   0.00099   0.00064   1.87726
   A83        1.89021  -0.00024  -0.00178   0.00019  -0.00159   1.88862
   A84        1.95945  -0.00116  -0.00483   0.00070  -0.00422   1.95524
   A85        1.91577   0.00006  -0.00157  -0.00045  -0.00192   1.91385
   A86        1.89684   0.00068   0.00359   0.00046   0.00405   1.90089
   A87        1.92194   0.00026  -0.00389   0.00134  -0.00249   1.91945
   A88        1.91169   0.00030   0.00663  -0.00308   0.00357   1.91527
   A89        1.85504  -0.00008   0.00041   0.00102   0.00141   1.85644
   A90        2.29143   0.00002  -0.00395   0.00481   0.00070   2.29213
   A91        2.16110   0.00082   0.00474  -0.00404   0.00187   2.16297
   A92        1.82971  -0.00082  -0.00070  -0.00105  -0.00175   1.82796
   A93        1.91372   0.00107   0.00088   0.00104   0.00208   1.91580
   A94        2.25257  -0.00043  -0.00012  -0.00033  -0.00049   2.25208
   A95        2.11681  -0.00063  -0.00074  -0.00075  -0.00153   2.11528
   A96        1.89827   0.00017   0.00024   0.00049   0.00065   1.89892
   A97        2.19264  -0.00027   0.00022  -0.00105  -0.00070   2.19193
   A98        2.19158   0.00013  -0.00016   0.00051   0.00046   2.19203
   A99        1.91286   0.00001  -0.00005   0.00049   0.00014   1.91300
   A100       2.19022   0.00027   0.00068   0.00004   0.00097   2.19119
   A101       2.18008  -0.00028  -0.00091  -0.00051  -0.00118   2.17890
   A102       1.87015  -0.00042  -0.00036  -0.00095  -0.00114   1.86901
   A103       2.16526   0.00058  -0.00979   0.01066  -0.00043   2.16483
   A104       2.24200  -0.00016   0.01201  -0.01154   0.00223   2.24423
   A105       1.73905   0.00033  -0.00975   0.00979   0.00230   1.74134
   A106       1.49598   0.00157  -0.00767   0.00609  -0.00209   1.49390
   A107       1.54611  -0.00116  -0.00440   0.00535   0.00214   1.54824
   A108       2.95446   0.00009   0.01349  -0.01259   0.00001   2.95447
   A109       1.63051   0.00044   0.01997  -0.01639   0.00263   1.63314
   A110       1.68128  -0.00014   0.00469  -0.00384   0.00163   1.68291
   A111       1.58418  -0.00031   0.00512  -0.00484  -0.00049   1.58369
   A112       1.56938  -0.00038  -0.00940   0.00537  -0.00560   1.56378
   A113       2.91361  -0.00077  -0.01025   0.00663  -0.00492   2.90869
   A114       2.99409   0.00059  -0.01484   0.01340  -0.00070   2.99339
   A115       1.54341  -0.00146   0.00433  -0.00513  -0.00396   1.53945
   A116       1.47306  -0.00014  -0.00318   0.00429  -0.00001   1.47305
   A117       1.67875   0.00112   0.00897  -0.00679   0.00422   1.68297
   A118       1.56601   0.00057  -0.00224   0.00092  -0.00069   1.56532
   A119       1.34482  -0.00039  -0.00084   0.00140   0.00088   1.34570
   A120       2.15523  -0.00078  -0.01509   0.01097  -0.00664   2.14858
   A121       2.39881   0.00136   0.03542  -0.02346   0.01374   2.41254
   A122       1.71714  -0.00069  -0.01778   0.00910  -0.00755   1.70959
   A123       2.21295  -0.00294   0.02102  -0.02053   0.00164   2.21459
   A124       2.82578   0.00043  -0.00630   0.00948   0.00035   2.82613
   A125       2.12891   0.00298   0.00279   0.00507   0.00795   2.13686
   A126       2.11168  -0.00203  -0.00296  -0.00289  -0.00591   2.10577
   A127       2.04234  -0.00095   0.00017  -0.00203  -0.00191   2.04042
   A128       2.41970  -0.00106   0.01290  -0.00640   0.00584   2.42554
   A129       2.14494   0.00065   0.00564  -0.00072   0.00556   2.15051
   A130       2.06908  -0.00024  -0.00173  -0.00027  -0.00220   2.06688
   A131       2.06916  -0.00041  -0.00419   0.00099  -0.00339   2.06577
   A132       1.96007   0.00041   0.00975  -0.00284   0.00698   1.96706
   A133       1.90140   0.00026   0.00299  -0.00197   0.00105   1.90245
   A134       1.90301  -0.00023  -0.00343   0.00120  -0.00233   1.90068
   A135       1.86138  -0.00170  -0.00279  -0.00636  -0.00899   1.85239
   A136       1.93406   0.00109  -0.00464   0.00876   0.00398   1.93804
   A137       1.90266   0.00013  -0.00206   0.00101  -0.00102   1.90164
   A138       2.09478  -0.00073   0.01098  -0.00259   0.00763   2.10242
   A139       2.02515  -0.00073  -0.00795   0.00271  -0.00503   2.02013
   A140       2.15826   0.00164  -0.00130   0.00204   0.00094   2.15920
   A141       1.81496   0.00225  -0.00781   0.00792  -0.00039   1.81457
   A142       2.05763   0.00002   0.00347  -0.00099   0.00245   2.06008
   A143       2.14532  -0.00010   0.00156  -0.00090   0.00063   2.14596
   A144       2.02623   0.00022  -0.00407   0.00535   0.00126   2.02749
   A145       1.90720   0.00087   0.00185   0.00183   0.00368   1.91089
   A146       1.89682   0.00045   0.00130   0.00033   0.00163   1.89844
   A147       1.93350  -0.00178  -0.00634  -0.00088  -0.00721   1.92629
   A148       1.91075  -0.00019   0.00111  -0.00027   0.00085   1.91159
   A149       1.90566   0.00052   0.00251  -0.00050   0.00201   1.90767
   A150       1.90980   0.00015  -0.00041  -0.00052  -0.00092   1.90888
   A151       1.90757  -0.00029  -0.00235   0.00046  -0.00190   1.90567
   A152       1.90211   0.00046   0.00254   0.00026   0.00280   1.90491
   A153       1.97717  -0.00056  -0.00059  -0.00147  -0.00207   1.97511
   A154       1.87725  -0.00006  -0.00004  -0.00057  -0.00061   1.87664
   A155       1.89502   0.00025  -0.00078   0.00076  -0.00002   1.89500
   A156       1.90217   0.00022   0.00122   0.00060   0.00183   1.90400
    D1       -3.13923  -0.00034  -0.00603  -0.00066  -0.00674   3.13722
    D2        1.03523  -0.00054  -0.02164   0.00365  -0.01815   1.01708
    D3       -0.99552   0.00061  -0.01305   0.00879  -0.00410  -0.99961
    D4        1.05523  -0.00066  -0.00752  -0.00393  -0.01146   1.04377
    D5       -1.05349  -0.00086  -0.02313   0.00038  -0.02287  -1.07636
    D6       -3.08424   0.00030  -0.01454   0.00552  -0.00882  -3.09306
    D7       -1.05337   0.00019  -0.00350   0.00369   0.00015  -1.05322
    D8        3.12109  -0.00001  -0.01910   0.00800  -0.01126   3.10983
    D9        1.09035   0.00114  -0.01052   0.01315   0.00279   1.09314
   D10       -1.68408  -0.00012   0.13599  -0.09702   0.03883  -1.64525
   D11        1.48616  -0.00049   0.13811  -0.10639   0.03224   1.51839
   D12        0.43058   0.00021   0.14834  -0.09979   0.04842   0.47900
   D13       -2.68237  -0.00017   0.15046  -0.10916   0.04183  -2.64054
   D14        2.44853   0.00033   0.14562  -0.09905   0.04605   2.49458
   D15       -0.66442  -0.00004   0.14774  -0.10842   0.03946  -0.62496
   D16       -3.11435  -0.00014   0.00240  -0.01880  -0.01456  -3.12891
   D17        0.01144  -0.00024  -0.00052  -0.01196  -0.01232  -0.00087
   D18        0.00248   0.00017   0.00030  -0.01061  -0.00896  -0.00648
   D19        3.12828   0.00008  -0.00262  -0.00377  -0.00672   3.12156
   D20        3.12414  -0.00027  -0.00276   0.01296   0.00867   3.13281
   D21       -0.01954   0.00005   0.00076   0.00547   0.00559  -0.01395
   D22        0.00443  -0.00053  -0.00152   0.00602   0.00356   0.00799
   D23       -3.13925  -0.00021   0.00199  -0.00148   0.00047  -3.13877
   D24       -0.00862   0.00028   0.00107   0.01140   0.01116   0.00255
   D25        2.98904   0.00035   0.00238   0.01855   0.01892   3.00796
   D26       -3.13594   0.00038   0.00354   0.00536   0.00916  -3.12678
   D27       -0.13828   0.00045   0.00484   0.01251   0.01691  -0.12137
   D28       -0.01015   0.00072   0.00228   0.00082   0.00330  -0.00685
   D29       -3.13071  -0.00001   0.00095  -0.01002  -0.00807  -3.13879
   D30        3.13356   0.00039  -0.00128   0.00842   0.00641   3.13997
   D31        0.01299  -0.00033  -0.00261  -0.00242  -0.00497   0.00803
   D32        0.01136  -0.00060  -0.00203  -0.00728  -0.00869   0.00267
   D33       -2.96630  -0.00070  -0.00627  -0.01512  -0.01949  -2.98579
   D34        3.13161   0.00010  -0.00077   0.00369   0.00280   3.13441
   D35        0.15395   0.00001  -0.00501  -0.00415  -0.00801   0.14595
   D36        1.70156   0.00013   0.00320   0.01072   0.01477   1.71634
   D37       -2.91124   0.00022   0.00748   0.00724   0.01595  -2.89529
   D38        0.12138   0.00065  -0.00156   0.01495   0.01496   0.13634
   D39       -1.91495   0.00054  -0.08200   0.05707  -0.02326  -1.93822
   D40       -1.44314   0.00015   0.00168   0.01330   0.01558  -1.42756
   D41       -1.62450  -0.00003   0.00647   0.01922   0.02540  -1.59910
   D42        0.04588   0.00007   0.01075   0.01574   0.02658   0.07246
   D43        3.07850   0.00049   0.00171   0.02345   0.02559   3.10409
   D44        1.04217   0.00038  -0.07873   0.06557  -0.01263   1.02954
   D45        1.51398   0.00000   0.00495   0.02180   0.02621   1.54019
   D46        1.16167  -0.00001  -0.02910   0.00246  -0.02672   1.13496
   D47       -3.00758   0.00005  -0.02827   0.00465  -0.02342  -3.03101
   D48       -0.95881   0.00005  -0.02686   0.00520  -0.02178  -0.98059
   D49       -0.93385  -0.00055  -0.03870   0.00474  -0.03405  -0.96789
   D50        1.18008  -0.00049  -0.03787   0.00693  -0.03075   1.14933
   D51       -3.05433  -0.00049  -0.03646   0.00747  -0.02911  -3.08344
   D52       -3.03483   0.00015  -0.02872   0.00192  -0.02687  -3.06170
   D53       -0.92090   0.00021  -0.02789   0.00411  -0.02358  -0.94448
   D54        1.12788   0.00021  -0.02649   0.00466  -0.02194   1.10594
   D55       -0.95807   0.00001  -0.00381  -0.00288  -0.00640  -0.96447
   D56        1.14718   0.00036  -0.00171  -0.00082  -0.00233   1.14485
   D57       -3.05325  -0.00007  -0.00461  -0.00151  -0.00577  -3.05902
   D58       -3.08179  -0.00019  -0.00429  -0.00562  -0.00998  -3.09176
   D59       -0.97654   0.00016  -0.00219  -0.00356  -0.00591  -0.98244
   D60        1.10622  -0.00027  -0.00509  -0.00425  -0.00935   1.09687
   D61        1.17009  -0.00050  -0.00643  -0.00781  -0.01402   1.15606
   D62       -3.00785  -0.00015  -0.00433  -0.00576  -0.00995  -3.01780
   D63       -0.92509  -0.00058  -0.00723  -0.00645  -0.01340  -0.93849
   D64       -0.81249  -0.00041   0.03129  -0.03415  -0.00212  -0.81461
   D65        2.23999   0.00008   0.04364  -0.02662   0.01738   2.25737
   D66       -2.94415  -0.00063   0.02802  -0.03530  -0.00678  -2.95093
   D67        0.10833  -0.00014   0.04037  -0.02777   0.01272   0.12105
   D68        1.28925  -0.00072   0.03468  -0.04145  -0.00641   1.28285
   D69       -1.94145  -0.00023   0.04703  -0.03393   0.01309  -1.92836
   D70        2.77977  -0.00042   0.00097   0.01131   0.01063   2.79040
   D71       -0.26756  -0.00099  -0.01233   0.00326  -0.01033  -0.27789
   D72       -2.81546   0.00071  -0.01388   0.00268  -0.00912  -2.82458
   D73        0.23638   0.00123  -0.00129   0.01050   0.01078   0.24716
   D74        0.11361  -0.00067   0.02071  -0.02468  -0.00423   0.10938
   D75        0.19365  -0.00093   0.04446  -0.02817   0.01587   0.20953
   D76       -1.05384   0.00035   0.01004   0.00062   0.01081  -1.04303
   D77        1.08349  -0.00030   0.00322   0.00193   0.00502   1.08851
   D78        3.10457  -0.00014   0.00377   0.00140   0.00515   3.10972
   D79        3.12877   0.00047   0.00825   0.00326   0.01166   3.14043
   D80       -1.01708  -0.00018   0.00143   0.00457   0.00588  -1.01121
   D81        1.00400  -0.00002   0.00198   0.00404   0.00600   1.01000
   D82        1.04726   0.00040   0.00969   0.00109   0.01093   1.05819
   D83       -3.09860  -0.00026   0.00287   0.00240   0.00514  -3.09345
   D84       -1.07752  -0.00009   0.00342   0.00187   0.00527  -1.07225
   D85       -0.65401   0.00033   0.02668  -0.00792   0.01829  -0.63571
   D86        2.50436   0.00062   0.02437  -0.00274   0.02086   2.52522
   D87       -2.78125  -0.00016   0.02809  -0.01052   0.01761  -2.76364
   D88        0.37711   0.00013   0.02578  -0.00534   0.02018   0.39729
   D89        1.47085   0.00008   0.02899  -0.00868   0.02019   1.49104
   D90       -1.65397   0.00037   0.02668  -0.00350   0.02276  -1.63121
   D91       -3.10624  -0.00102  -0.01592  -0.00471  -0.02124  -3.12748
   D92        0.06296  -0.00043  -0.02141   0.00611  -0.01526   0.04770
   D93        0.02085  -0.00127  -0.01398  -0.00913  -0.02351  -0.00266
   D94       -3.09313  -0.00069  -0.01947   0.00169  -0.01753  -3.11066
   D95        3.10787   0.00117   0.01709   0.00560   0.02332   3.13120
   D96       -0.04302   0.00022   0.00776  -0.00163   0.00640  -0.03662
   D97       -0.02085   0.00138   0.01524   0.00963   0.02522   0.00436
   D98        3.11144   0.00043   0.00592   0.00239   0.00829   3.11973
   D99       -0.01324   0.00069   0.00763   0.00529   0.01321  -0.00003
   D100      -2.85157   0.00042   0.01105  -0.00107   0.01092  -2.84065
   D101       3.10300   0.00017   0.01278  -0.00473   0.00788   3.11088
   D102       0.26467  -0.00010   0.01620  -0.01109   0.00559   0.27026
   D103       0.01359  -0.00102  -0.01123  -0.00678  -0.01821  -0.00463
   D104       3.10890  -0.00067  -0.00410  -0.00612  -0.01040   3.09850
   D105      -3.11862  -0.00007  -0.00178   0.00050  -0.00116  -3.11979
   D106      -0.02331   0.00028   0.00534   0.00116   0.00665  -0.01666
   D107      -0.00036   0.00021   0.00228   0.00097   0.00321   0.00285
   D108       2.84188   0.00017  -0.00181   0.00712   0.00544   2.84732
   D109      -3.09536  -0.00017  -0.00497   0.00026  -0.00481  -3.10017
   D110      -0.25311  -0.00021  -0.00906   0.00640  -0.00258  -0.25569
   D111      -0.47607   0.00090  -0.02779   0.03435   0.00471  -0.47136
   D112      -1.98940  -0.00071  -0.01965   0.02778   0.00634  -1.98306
   D113       1.07196  -0.00032  -0.03158   0.03905   0.00682   1.07877
   D114       2.75070   0.00080  -0.02283   0.03233   0.01097   2.76166
   D115       2.67927   0.00074  -0.02229   0.02337   0.00092   2.68020
   D116       3.02267   0.00052  -0.02402   0.02708   0.00150   3.02417
   D117       1.50934  -0.00110  -0.01588   0.02051   0.00312   1.51247
   D118      -1.71248  -0.00071  -0.02782   0.03178   0.00360  -1.70888
   D119      -0.03374   0.00041  -0.01907   0.02506   0.00775  -0.02599
   D120      -0.10516   0.00035  -0.01852   0.01611  -0.00229  -0.10746
   D121      -1.05779  -0.00011  -0.00892   0.00328  -0.00563  -1.06342
   D122       3.08166   0.00031   0.00040   0.00141   0.00181   3.08347
   D123       1.05965  -0.00001  -0.00125   0.00017  -0.00109   1.05856
   D124       1.05161  -0.00012  -0.00919   0.00326  -0.00592   1.04569
   D125      -1.09213   0.00030   0.00013   0.00138   0.00152  -1.09061
   D126      -3.11413  -0.00003  -0.00152   0.00015  -0.00138  -3.11551
   D127      -3.13477  -0.00027  -0.01067   0.00299  -0.00768   3.14074
   D128       1.00468   0.00015  -0.00136   0.00112  -0.00023   1.00444
   D129      -1.01733  -0.00018  -0.00300  -0.00012  -0.00313  -1.02046
   D130       0.34788  -0.00023  -0.04713   0.00880  -0.03834   0.30955
   D131      -2.84793   0.00029  -0.00456   0.00091  -0.00372  -2.85165
   D132       2.48814  -0.00077  -0.05514   0.00967  -0.04549   2.44265
   D133      -0.70767  -0.00025  -0.01258   0.00178  -0.01087  -0.71854
   D134      -1.76102  -0.00054  -0.05304   0.00987  -0.04313  -1.80415
   D135       1.32635  -0.00002  -0.01047   0.00199  -0.00852   1.31783
   D136       3.10226   0.00037   0.03361  -0.01277   0.02118   3.12344
   D137      -0.05358   0.00055   0.04373  -0.01583   0.02821  -0.02537
   D138       0.00726  -0.00011  -0.00282  -0.00589  -0.00860  -0.00134
   D139       3.13461   0.00006   0.00729  -0.00894  -0.00157   3.13304
   D140      -3.09989  -0.00055  -0.03075   0.01231  -0.01821  -3.11810
   D141       0.00312   0.00016  -0.01591   0.01094  -0.00472  -0.00159
   D142      -0.00044  -0.00013   0.00245   0.00637   0.00871   0.00827
   D143       3.10258   0.00058   0.01729   0.00501   0.02220   3.12478
   D144      -0.01159   0.00032   0.00219   0.00328   0.00538  -0.00621
   D145       3.02311   0.00022   0.02588  -0.01450   0.01185   3.03496
   D146      -3.14024   0.00016  -0.00700   0.00605  -0.00101  -3.14125
   D147      -0.10554   0.00006   0.01669  -0.01173   0.00546  -0.10008
   D148      -0.00685   0.00034  -0.00119  -0.00462  -0.00576  -0.01261
   D149       3.12702   0.00078   0.01845  -0.00238   0.01625  -3.13992
   D150      -3.10990  -0.00036  -0.01602  -0.00321  -0.01922  -3.12912
   D151       0.02397   0.00008   0.00362  -0.00097   0.00279   0.02676
   D152       0.01119  -0.00041  -0.00059   0.00086   0.00028   0.01147
   D153      -3.01729  -0.00037  -0.02478   0.01782  -0.00635  -3.02364
   D154      -3.12274  -0.00085  -0.02005  -0.00137  -0.02155   3.13890
   D155       0.13197  -0.00081  -0.04424   0.01560  -0.02818   0.10379
   D156      -1.39822  -0.00013   0.00569  -0.00744  -0.00280  -1.40102
   D157       0.33392   0.00037  -0.00527   0.00326  -0.00079   0.33313
   D158      -2.23091  -0.00021   0.02074  -0.02922  -0.00766  -2.23857
   D159       1.90025  -0.00017  -0.01435   0.00820  -0.00692   1.89333
   D160      -3.03655  -0.00043  -0.01562   0.01007  -0.00567  -3.04221
   D161       1.61282  -0.00025   0.03403  -0.02803   0.00486   1.61768
   D162      -2.93823   0.00025   0.02306  -0.01733   0.00686  -2.93136
   D163       0.78013  -0.00033   0.04908  -0.04981   0.00000   0.78013
   D164      -1.37190  -0.00028   0.01399  -0.01239   0.00073  -1.37116
   D165      -0.02551  -0.00054   0.01272  -0.01053   0.00199  -0.02352
   D166       1.82049  -0.00025  -0.05600   0.04234  -0.01256   1.80794
   D167      -1.11554   0.00087  -0.07921   0.06936  -0.00741  -1.12295
   D168       0.08171  -0.00058  -0.04604   0.03239  -0.01488   0.06683
   D169      -2.85432   0.00054  -0.06925   0.05940  -0.00973  -2.86405
   D170       2.65045  -0.00002  -0.07149   0.06436  -0.00796   2.64249
   D171      -0.28558   0.00111  -0.09471   0.09137  -0.00281  -0.28839
   D172      -1.48911  -0.00019  -0.03734   0.02760  -0.00925  -1.49836
   D173       1.85804   0.00093  -0.06056   0.05461  -0.00410   1.85395
   D174      -2.83205   0.00018  -0.03590   0.02589  -0.00992  -2.84197
   D175       0.51511   0.00130  -0.05912   0.05290  -0.00477   0.51033
   D176       0.61011  -0.00052   0.10517  -0.07865   0.02605   0.63615
   D177      -2.99916  -0.00009   0.02037  -0.03229  -0.01110  -3.01026
   D178       1.60267   0.00003   0.01552  -0.02832  -0.01293   1.58974
   D179      -1.41506  -0.00045   0.02432  -0.03658  -0.01222  -1.42728
   D180       0.12588  -0.00016   0.01978  -0.03388  -0.01382   0.11206
   D181       1.81545   0.00060   0.00679   0.00661   0.01510   1.83055
   D182      -1.33973   0.00076   0.00127   0.01749   0.01884  -1.32089
   D183      -2.97813   0.00213  -0.00346   0.01472   0.01272  -2.96541
   D184       0.26967   0.00173   0.01159   0.00109   0.01302   0.28269
   D185      -1.41302   0.00070   0.00182   0.00832   0.00856  -1.40446
   D186      -2.92499   0.00144  -0.02659   0.04081   0.01447  -2.91053
   D187       0.07660   0.00091  -0.00654   0.01877   0.01332   0.08991
   D188       2.62893  -0.00140  -0.01815  -0.01335  -0.03365   2.59528
   D189      -0.33972  -0.00039  -0.03668   0.00825  -0.02874  -0.36847
   D190       0.69140  -0.00021  -0.03061   0.02683  -0.00381   0.68759
   D191      -2.47523   0.00017  -0.03066   0.03424   0.00350  -2.47173
   D192       0.04672   0.00042   0.01454   0.00712   0.02153   0.06825
   D193      -3.09486   0.00069  -0.00228   0.01622   0.01382  -3.08104
   D194      -3.07078   0.00008   0.01463   0.00002   0.01454  -3.05624
   D195       0.07083   0.00034  -0.00219   0.00912   0.00683   0.07766
   D196      -1.12696  -0.00030   0.00393  -0.00553  -0.00156  -1.12852
   D197       0.92010  -0.00027   0.00399  -0.00581  -0.00178   0.91832
   D198       3.04077  -0.00003   0.00698  -0.00584   0.00119   3.04196
   D199       1.99079   0.00012   0.00393   0.00162   0.00550   1.99629
   D200      -2.24534   0.00015   0.00398   0.00134   0.00528  -2.24005
   D201      -0.12466   0.00039   0.00698   0.00131   0.00825  -0.11641
   D202      -1.39411   0.00146   0.02554  -0.00296   0.02240  -1.37170
   D203       0.66393  -0.00023   0.03010  -0.01384   0.01617   0.68010
   D204       2.73856  -0.00005   0.02734  -0.01308   0.01419   2.75275
   D205       1.74747   0.00119   0.04231  -0.01207   0.03011   1.77758
   D206      -2.47768  -0.00050   0.04687  -0.02294   0.02387  -2.45380
   D207      -0.40304  -0.00032   0.04411  -0.02218   0.02190  -0.38115
   D208       0.58223  -0.00185  -0.03764  -0.01666  -0.05428   0.52796
   D209      -2.66263   0.00009  -0.01251   0.00585  -0.00661  -2.66924
   D210      -1.49937  -0.00132  -0.04517  -0.00856  -0.05379  -1.55316
   D211       1.53894   0.00061  -0.02004   0.01395  -0.00612   1.53283
   D212       2.71523  -0.00106  -0.03860  -0.01078  -0.04938   2.66585
   D213      -0.52964   0.00087  -0.01347   0.01173  -0.00171  -0.53135
   D214       1.12240   0.00089   0.02243   0.01365   0.03634   1.15874
   D215      -1.90767  -0.00104  -0.00458  -0.01067  -0.01497  -1.92264
   D216      -0.21331  -0.00047  -0.00520  -0.00606  -0.01138  -0.22469
   D217      -2.99386  -0.00096  -0.00753  -0.01831  -0.02595  -3.01981
   D218       2.82083   0.00137   0.02128   0.01706   0.03844   2.85928
   D219       0.04029   0.00088   0.01894   0.00480   0.02387   0.06416
   D220      -2.46126   0.00004   0.00642  -0.00007   0.00635  -2.45491
   D221      -0.37710   0.00059   0.00964   0.00087   0.01052  -0.36658
   D222       1.72165  -0.00004   0.00610  -0.00009   0.00602   1.72767
   D223       1.03540  -0.00040   0.00274  -0.01094  -0.00821   1.02719
   D224       3.11956   0.00014   0.00595  -0.00999  -0.00404   3.11552
   D225      -1.06488  -0.00048   0.00242  -0.01095  -0.00854  -1.07342
         Item               Value     Threshold  Converged?
 Maximum Force            0.016432     0.000450     NO 
 RMS     Force            0.001792     0.000300     NO 
 Maximum Displacement     0.232840     0.001800     NO 
 RMS     Displacement     0.050518     0.001200     NO 
 Predicted change in Energy=-2.444871D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.728983    2.795984    3.531383
      2          6           0       -3.026313    1.436589    3.798906
      3          6           0       -1.753592    1.227085    3.018042
      4          6           0       -1.486038    0.603608    1.807765
      5          7           0       -0.499132    1.669301    3.474009
      6          6           0        0.454483    1.317275    2.545173
      7          7           0       -0.111391    0.666373    1.521126
      8          6           0       -5.089069    1.203585    0.170178
      9          6           0       -5.878941    0.267702   -0.778108
     10          6           0       -5.360756   -1.195497   -0.766631
     11          6           0       -3.875801   -1.237354   -1.088392
     12          8           0       -3.387843   -0.579969   -2.061944
     13          8           0       -3.092707   -1.940354   -0.238365
     14          6           0       -1.986152    4.295188   -3.076127
     15          6           0       -0.526988    4.114185   -3.556713
     16          6           0        0.138086    2.893064   -2.974883
     17          6           0        0.056770    2.287260   -1.729075
     18          7           0        1.060201    2.112283   -3.689207
     19          6           0        1.492999    1.086253   -2.885293
     20          7           0        0.902135    1.167058   -1.685558
     21          6           0        5.050825    3.623862    1.216636
     22          6           0        5.498729    2.217644    1.674990
     23          6           0        4.440760    1.177702    1.421384
     24          6           0        3.327953    1.186600    0.595088
     25          7           0        4.427642   -0.091936    2.025222
     26          6           0        3.344457   -0.797296    1.551584
     27          7           0        2.657524   -0.039664    0.690079
     28         30           0        0.809245   -0.446548   -0.231843
     29          1           0       -4.645723    2.874480    4.128451
     30          1           0       -3.996327    2.890746    2.471496
     31          1           0       -3.076782    3.642992    3.795670
     32          1           0       -3.722927    0.622140    3.552840
     33          1           0       -2.814072    1.346035    4.877277
     34          1           0       -2.166398    0.111061    1.135265
     35          1           0       -0.334074    2.167091    4.339666
     36          1           0        1.504903    1.534338    2.648326
     37          1           0       -4.051555    1.306940   -0.168148
     38          1           0       -5.084569    0.810555    1.197285
     39          1           0       -5.540690    2.203183    0.189504
     40          1           0       -6.939978    0.264623   -0.492069
     41          1           0       -5.814507    0.654800   -1.802042
     42          1           0       -5.521732   -1.666989    0.209128
     43          1           0       -5.907335   -1.780592   -1.519640
     44          1           0       -2.603898    3.433939   -3.352562
     45          1           0       -2.425511    5.194355   -3.523998
     46          1           0       -2.030637    4.410218   -1.985311
     47          1           0       -0.513914    4.051762   -4.654086
     48          1           0        0.053331    5.009726   -3.291006
     49          1           0       -0.559138    2.556628   -0.888581
     50          1           0        1.338335    2.270354   -4.649456
     51          1           0        2.176931    0.310332   -3.189334
     52          1           0        4.846704    3.641643    0.139186
     53          1           0        4.145630    3.944684    1.745034
     54          1           0        5.841285    4.356437    1.415527
     55          1           0        5.753867    2.240988    2.744404
     56          1           0        6.422208    1.946002    1.141750
     57          1           0        2.964289    1.972897   -0.043962
     58          1           0        5.115156   -0.438944    2.682291
     59          1           0        3.076767   -1.801802    1.837793
     60          8           0       -1.013203   -0.917090   -0.832504
     61          1           0       -1.463886   -0.470268   -1.588796
     62          1           0       -1.927192   -1.547135   -0.447905
     63          6           0        2.240692   -3.005765   -1.778547
     64          8           0        1.902809   -1.785789   -1.672123
     65          7           0        1.420011   -4.027588   -1.401367
     66          6           0        0.050448   -3.821838   -0.919696
     67          6           0       -0.000238   -3.359471    0.550340
     68          8           0        0.946863   -2.663702    1.041363
     69          7           0       -1.126162   -3.683527    1.230693
     70          1           0       -0.418363   -3.022821   -1.506853
     71          1           0       -0.517439   -4.746401   -1.060517
     72          1           0        1.771074   -4.975769   -1.462905
     73          1           0       -1.926747   -4.018086    0.698914
     74          6           0       -1.408123   -3.196161    2.590986
     75          1           0       -1.867591   -3.998005    3.178355
     76          1           0       -0.468574   -2.894275    3.057811
     77          1           0       -2.088395   -2.337943    2.555240
     78          6           0        3.588291   -3.387039   -2.361690
     79          1           0        3.625990   -3.079140   -3.413301
     80          1           0        4.376174   -2.843222   -1.830531
     81          1           0        3.793798   -4.460975   -2.305118
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0954714      0.0727061      0.0672700
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.8211059715 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33763 LenP2D=  122301.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.46D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999872    0.014690    0.000745   -0.006248 Ang=   1.83 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.96746401     A.U. after   11 cycles
            NFock= 11  Conv=0.85D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33763 LenP2D=  122301.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000458622    0.002042998    0.000254852
      3        6          -0.000702177    0.001012282    0.001949021
      4        6           0.000915374   -0.000540522   -0.000393172
      5        7           0.001066183   -0.001175815   -0.001933888
      6        6          -0.000598021   -0.000155015    0.001686405
      7        7           0.001373449    0.002739881   -0.000945129
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000140547   -0.000042527    0.001383700
     10        6           0.000437539   -0.000521206    0.000606172
     11        6          -0.004924214    0.003134421    0.002403970
     12        8           0.001482653    0.000741192    0.000081343
     13        8           0.007000905    0.000550949   -0.002080963
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000416652    0.000375308    0.000003750
     16        6           0.000004689   -0.000335073    0.000611371
     17        6          -0.000362515    0.000146425   -0.000654589
     18        7           0.000313028   -0.000733902    0.000067949
     19        6          -0.000924236    0.000488377   -0.000331336
     20        7           0.000003232    0.000949976   -0.000614159
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000232083   -0.000191927   -0.000404208
     23        6          -0.000135867   -0.000148793    0.000450264
     24        6           0.000018163    0.000526305    0.000727846
     25        7          -0.001403584   -0.000490045   -0.001694707
     26        6           0.001098932    0.000431690    0.000214445
     27        7          -0.003410520    0.001009302   -0.001765167
     28       30           0.001573109   -0.007509470    0.004088315
     29        1          -0.000224264   -0.000012691   -0.000201922
     30        1          -0.000140192    0.000283782    0.001212894
     31        1           0.000846986    0.001790949   -0.000912134
     32        1          -0.000878557   -0.001906741    0.000544114
     33        1           0.000443143   -0.000050516   -0.001724899
     34        1           0.000432802    0.000342237    0.000186745
     35        1          -0.000402411   -0.000283932   -0.000233246
     36        1           0.000410866    0.000008720    0.000424985
     37        1          -0.000226733   -0.000318591    0.000101646
     38        1           0.000393009   -0.000108139    0.000050276
     39        1           0.000334592   -0.000295287    0.000271621
     40        1           0.000057006    0.000112037   -0.000296883
     41        1           0.000003737   -0.000118804    0.000007558
     42        1           0.000071558   -0.000037196   -0.000139126
     43        1          -0.000069643   -0.000251076   -0.000003468
     44        1          -0.000121154    0.000299079   -0.000141487
     45        1          -0.000244615    0.000013881    0.000063162
     46        1           0.000260760   -0.000045902   -0.000473463
     47        1          -0.000196985    0.000294860   -0.000213113
     48        1           0.000104134   -0.000362563   -0.000206361
     49        1           0.000242232    0.000149789    0.000790761
     50        1          -0.000109195    0.000088066   -0.000029318
     51        1           0.000256276   -0.000053692    0.000332249
     52        1           0.000106781    0.000028965    0.000063458
     53        1           0.000203948   -0.000097856    0.000163623
     54        1           0.000228045    0.000103438    0.000033412
     55        1           0.000319933   -0.000052213    0.000251162
     56        1          -0.000142664    0.000264214    0.000260743
     57        1          -0.000192838   -0.000002222   -0.000242852
     58        1           0.000151889   -0.000066209    0.000114803
     59        1           0.000461621   -0.000090046    0.000529925
     60        8          -0.001449607    0.007371984   -0.002609787
     61        1          -0.003290197   -0.002126685   -0.000992798
     62        1          -0.001290870   -0.004809817    0.000517818
     63        6           0.000109725    0.001171118    0.001110763
     64        8           0.001468614   -0.000121293   -0.000396227
     65        7           0.000570880   -0.001069583   -0.000656740
     66        6          -0.001110568    0.000279817    0.000478941
     67        6           0.001079053    0.001459878   -0.000945196
     68        8           0.000445570   -0.001936227    0.000123919
     69        7           0.000567825   -0.001564219   -0.000231905
     70        1           0.000400051   -0.000017883    0.000263937
     71        1           0.000051442    0.000008861   -0.000149843
     72        1           0.000058894   -0.000043388    0.000222832
     73        1          -0.000681907    0.000329210    0.000224809
     74        6          -0.000208287    0.000581925   -0.000416385
     75        1          -0.000041416   -0.000007754    0.000159314
     76        1           0.000117587   -0.000059073   -0.000000983
     77        1          -0.000070370   -0.000155869   -0.000325457
     78        6          -0.000366309    0.000032316    0.000125036
     79        1           0.000027887    0.000051870    0.000090373
     80        1           0.000029212   -0.000012197   -0.000075401
     81        1           0.000126855   -0.000147091   -0.000045994
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007509470 RMS     0.001247862

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.005591403 RMS     0.000542963
 Search for a local minimum.
 Step number  18 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Update second derivatives using D2CorX and points   17   18
 DE= -2.83D-03 DEPred=-2.44D-03 R= 1.16D+00
 TightC=F SS=  1.41D+00  RLast= 2.85D-01 DXNew= 5.0454D+00 8.5390D-01
 Trust test= 1.16D+00 RLast= 2.85D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
 Use linear search instead of GDIIS.
     Eigenvalues ---    0.00100   0.00229   0.00230   0.00232   0.00232
     Eigenvalues ---    0.00356   0.00384   0.00440   0.00528   0.00533
     Eigenvalues ---    0.00586   0.00655   0.00724   0.00747   0.00751
     Eigenvalues ---    0.00791   0.00845   0.00885   0.00979   0.01205
     Eigenvalues ---    0.01263   0.01285   0.01373   0.01404   0.01475
     Eigenvalues ---    0.01483   0.01544   0.01625   0.01650   0.01750
     Eigenvalues ---    0.01834   0.01838   0.01867   0.01882   0.01890
     Eigenvalues ---    0.01938   0.01984   0.02026   0.02109   0.02222
     Eigenvalues ---    0.02253   0.02269   0.02315   0.02329   0.02396
     Eigenvalues ---    0.02604   0.02962   0.03212   0.03469   0.03813
     Eigenvalues ---    0.03986   0.04080   0.04162   0.04224   0.04506
     Eigenvalues ---    0.04691   0.04877   0.05095   0.05335   0.05383
     Eigenvalues ---    0.05385   0.05404   0.05439   0.05454   0.05481
     Eigenvalues ---    0.05515   0.05528   0.05530   0.05559   0.05744
     Eigenvalues ---    0.05904   0.06043   0.06891   0.06910   0.07167
     Eigenvalues ---    0.07454   0.07467   0.07601   0.07968   0.08230
     Eigenvalues ---    0.08355   0.08957   0.09247   0.09381   0.09443
     Eigenvalues ---    0.09468   0.09761   0.09933   0.10661   0.11042
     Eigenvalues ---    0.11619   0.12295   0.12811   0.12883   0.12984
     Eigenvalues ---    0.13122   0.13540   0.14709   0.15262   0.15554
     Eigenvalues ---    0.15889   0.15914   0.15966   0.15980   0.15988
     Eigenvalues ---    0.15993   0.15996   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16002   0.16006   0.16008
     Eigenvalues ---    0.16015   0.16025   0.16058   0.16077   0.16094
     Eigenvalues ---    0.16131   0.16211   0.16311   0.16946   0.17714
     Eigenvalues ---    0.18231   0.18490   0.20268   0.20639   0.21278
     Eigenvalues ---    0.21547   0.22015   0.22205   0.22352   0.22401
     Eigenvalues ---    0.22819   0.22949   0.23079   0.23416   0.23595
     Eigenvalues ---    0.23815   0.24347   0.24676   0.24741   0.24938
     Eigenvalues ---    0.25022   0.25218   0.26159   0.27338   0.27700
     Eigenvalues ---    0.27799   0.28194   0.28288   0.28884   0.30206
     Eigenvalues ---    0.30448   0.30750   0.31247   0.31466   0.31688
     Eigenvalues ---    0.31827   0.33610   0.33619   0.33648   0.33664
     Eigenvalues ---    0.33701   0.33760   0.33799   0.33824   0.33846
     Eigenvalues ---    0.33921   0.33931   0.33947   0.33984   0.33986
     Eigenvalues ---    0.34000   0.34034   0.34042   0.34056   0.34082
     Eigenvalues ---    0.34093   0.34129   0.34144   0.34176   0.34177
     Eigenvalues ---    0.34189   0.34264   0.34302   0.34319   0.34617
     Eigenvalues ---    0.35625   0.35663   0.35758   0.36087   0.36236
     Eigenvalues ---    0.36337   0.36480   0.36523   0.38959   0.39285
     Eigenvalues ---    0.39527   0.42248   0.42575   0.42620   0.45082
     Eigenvalues ---    0.45295   0.45434   0.45464   0.45576   0.45588
     Eigenvalues ---    0.45600   0.45637   0.45957   0.48869   0.49103
     Eigenvalues ---    0.49503   0.49608   0.49863   0.52291   0.54641
     Eigenvalues ---    0.54877   0.54950   0.56169   0.68435   0.73072
     Eigenvalues ---    0.761781000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 RFO step:  Lambda=-1.47259523D-03 EMin= 1.00387325D-03
 Quartic linear search produced a step of  0.14039.
 Iteration  1 RMS(Cart)=  0.04823467 RMS(Int)=  0.00125299
 Iteration  2 RMS(Cart)=  0.00236688 RMS(Int)=  0.00026332
 Iteration  3 RMS(Cart)=  0.00001060 RMS(Int)=  0.00026330
 New curvilinear step failed, DQL= 3.24D-05 SP=-1.22D-04.
 ITry= 1 IFail=1 DXMaxC= 3.18D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04324000 RMS(Int)=  0.00100077
 Iteration  2 RMS(Cart)=  0.00189710 RMS(Int)=  0.00021199
 Iteration  3 RMS(Cart)=  0.00000619 RMS(Int)=  0.00021198
 New curvilinear step failed, DQL= 3.59D-05 SP=-3.69D-05.
 ITry= 2 IFail=1 DXMaxC= 2.84D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03825886 RMS(Int)=  0.00077708
 Iteration  2 RMS(Cart)=  0.00148032 RMS(Int)=  0.00016626
 Iteration  3 RMS(Cart)=  0.00000347 RMS(Int)=  0.00016625
 Iteration  4 RMS(Cart)=  0.00000412 RMS(Int)=  0.00016626
 New curvilinear step failed, DQL= 1.60D-08 SP=-4.91D-02.
 ITry= 3 IFail=1 DXMaxC= 2.49D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03329757 RMS(Int)=  0.00058190
 Iteration  2 RMS(Cart)=  0.00111460 RMS(Int)=  0.00012612
 Iteration  3 RMS(Cart)=  0.00000183 RMS(Int)=  0.00012612
 Iteration  4 RMS(Cart)=  0.00000347 RMS(Int)=  0.00012613
 Iteration  5 RMS(Cart)=  0.00000000 RMS(Int)=  0.00012613
 ITry= 4 IFail=0 DXMaxC= 2.15D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48454   0.00146  -0.00001   0.00000   0.00000   8.48454
    Y1       -0.92766   0.00211   0.00000   0.00000   0.00000  -0.92766
    Z1        7.47501  -0.00007  -0.00001   0.00000   0.00000   7.47501
    X8       10.19803   0.00044   0.00001   0.00000   0.00000  10.19803
    Y8        1.20628  -0.00099  -0.00001   0.00000   0.00000   1.20628
    Z8        0.50965   0.00147   0.00001   0.00000   0.00000   0.50965
   X14        7.21041   0.00026   0.00000   0.00000   0.00000   7.21041
   Y14       -7.64142   0.00030   0.00000   0.00000   0.00000  -7.64142
   Z14       -3.84246  -0.00091   0.00000   0.00000   0.00000  -3.84246
   X21       -6.13880   0.00056   0.00001   0.00000   0.00000  -6.13880
   Y21       -9.38866  -0.00026   0.00000   0.00000   0.00000  -9.38866
   Z21        4.09466   0.00027   0.00001   0.00000   0.00000   4.09466
    R1        2.93563  -0.00070  -0.00451   0.00012  -0.00400   2.93163
    R2        2.07273  -0.00028  -0.00040  -0.00075  -0.00096   2.07177
    R3        2.07338  -0.00123  -0.00459  -0.00189  -0.00594   2.06744
    R4        2.08096  -0.00217  -0.00560  -0.00489  -0.00919   2.07177
    R5        2.84933  -0.00115  -0.00050  -0.00518  -0.00409   2.84524
    R6        2.07796  -0.00213  -0.00624  -0.00519  -0.00987   2.06809
    R7        2.08396  -0.00174  -0.00587  -0.00373  -0.00848   2.07548
    R8        2.62194   0.00016   0.00083  -0.00035   0.00075   2.62269
    R9        2.65715  -0.00072  -0.00080  -0.00202  -0.00230   2.65485
   R10        2.65623   0.00073   0.00046   0.00200   0.00197   2.65820
   R11        2.03332   0.00023  -0.00015  -0.00020  -0.00029   2.03303
   R12        2.60209  -0.00135  -0.00088  -0.00290  -0.00301   2.59908
   R13        1.91264  -0.00013  -0.00012  -0.00023  -0.00028   1.91236
   R14        2.53009   0.00115   0.00034   0.00109   0.00112   2.53121
   R15        2.03630  -0.00028  -0.00026  -0.00029  -0.00046   2.03583
   R16        4.29225   0.00054   0.00718  -0.04047  -0.02103   4.27122
   R17        2.92695  -0.00097  -0.00226  -0.00445  -0.00592   2.92104
   R18        2.07145   0.00032  -0.00017   0.00119   0.00073   2.07219
   R19        2.07822  -0.00009  -0.00072  -0.00054  -0.00114   2.07708
   R20        2.07314   0.00050   0.00049   0.00150   0.00181   2.07495
   R21        2.93340  -0.00016  -0.00083  -0.00129  -0.00200   2.93140
   R22        2.07666   0.00003  -0.00014  -0.00007  -0.00019   2.07647
   R23        2.07219   0.00006  -0.00034   0.00019  -0.00021   2.07198
   R24        2.87237   0.00025   0.00026   0.00189   0.00162   2.87399
   R25        2.07037  -0.00013  -0.00040  -0.00051  -0.00075   2.06962
   R26        2.07707  -0.00014  -0.00031  -0.00042  -0.00060   2.07647
   R27        2.40379   0.00036  -0.00128   0.00085  -0.00059   2.40320
   R28        2.55637  -0.00559  -0.00155  -0.00573  -0.00576   2.55061
   R29        3.74982   0.00155  -0.00075   0.05396   0.03723   3.78705
   R30        2.35796   0.00380   0.00001   0.01863   0.01299   2.37095
   R31        2.92321  -0.00023  -0.00011   0.00012   0.00010   2.92331
   R32        2.06990   0.00029   0.00003   0.00100   0.00086   2.07076
   R33        2.07192  -0.00019  -0.00044  -0.00066  -0.00102   2.07090
   R34        2.07448  -0.00047  -0.00046  -0.00114  -0.00134   2.07314
   R35        2.84840  -0.00020  -0.00016   0.00047   0.00029   2.84869
   R36        2.07723   0.00015  -0.00001   0.00015   0.00009   2.07733
   R37        2.07815   0.00020  -0.00008   0.00035   0.00017   2.07832
   R38        2.62233  -0.00021   0.00006  -0.00020  -0.00013   2.62220
   R39        2.65247   0.00024  -0.00005  -0.00001   0.00000   2.65247
   R40        2.65329  -0.00028  -0.00008  -0.00094  -0.00069   2.65260
   R41        2.03383   0.00080   0.00039   0.00082   0.00096   2.03480
   R42        2.59542   0.00051   0.00009   0.00147   0.00121   2.59663
   R43        1.91266   0.00000  -0.00010   0.00003  -0.00008   1.91259
   R44        2.53182  -0.00006  -0.00027   0.00004  -0.00023   2.53159
   R45        2.03728  -0.00037  -0.00027  -0.00054  -0.00065   2.03663
   R46        4.10799  -0.00105  -0.00099  -0.00902  -0.00723   4.10076
   R47        2.92032  -0.00024  -0.00056  -0.00128  -0.00162   2.91869
   R48        2.07258  -0.00004  -0.00006   0.00004  -0.00002   2.07256
   R49        2.07139   0.00024  -0.00007   0.00049   0.00037   2.07177
   R50        2.07100  -0.00017  -0.00034  -0.00028  -0.00056   2.07043
   R51        2.84408  -0.00040  -0.00039  -0.00085  -0.00096   2.84312
   R52        2.07809   0.00015   0.00002   0.00013   0.00011   2.07819
   R53        2.07951  -0.00006  -0.00019   0.00002  -0.00017   2.07934
   R54        2.61929  -0.00012  -0.00020   0.00111   0.00070   2.61999
   R55        2.65691  -0.00030  -0.00031  -0.00063  -0.00080   2.65611
   R56        2.64712  -0.00036  -0.00013  -0.00028  -0.00026   2.64686
   R57        2.03433  -0.00002  -0.00013   0.00028   0.00006   2.03439
   R58        2.60149   0.00038   0.00013  -0.00006   0.00001   2.60149
   R59        1.91304  -0.00007  -0.00007  -0.00010  -0.00014   1.91290
   R60        2.52692  -0.00043  -0.00045  -0.00008  -0.00050   2.52642
   R61        2.03758  -0.00013  -0.00007  -0.00002  -0.00008   2.03751
   R62        3.97814   0.00099   0.00029   0.01782   0.01283   3.99097
   R63        3.73359   0.00123   0.00087   0.01606   0.01228   3.74587
   R64        4.25245  -0.00108  -0.00184  -0.00656  -0.00639   4.24606
   R65        4.83850  -0.00186  -0.00212  -0.01128  -0.00999   4.82851
   R66        1.86571  -0.00031  -0.00045  -0.00132  -0.00129   1.86442
   R67        2.22013  -0.00090  -0.00010  -0.00989  -0.00701   2.21312
   R68        2.40065   0.00001  -0.00044  -0.00025  -0.00062   2.40003
   R69        2.57718  -0.00087  -0.00069  -0.00190  -0.00208   2.57510
   R70        2.86681   0.00014  -0.00053   0.00056  -0.00014   2.86667
   R71        2.77091  -0.00054  -0.00070  -0.00147  -0.00178   2.76913
   R72        1.91421  -0.00013  -0.00049  -0.00023  -0.00066   1.91355
   R73        2.91371  -0.00063  -0.00068  -0.00146  -0.00174   2.91197
   R74        2.07265   0.00019  -0.00024   0.00067   0.00023   2.07287
   R75        2.06762   0.00007   0.00001  -0.00008  -0.00004   2.06758
   R76        2.40686   0.00128   0.00028   0.00172   0.00152   2.40838
   R77        2.56028  -0.00100  -0.00048  -0.00177  -0.00172   2.55856
   R78        1.92312  -0.00043  -0.00004  -0.00096  -0.00072   1.92240
   R79        2.78209  -0.00062  -0.00043  -0.00196  -0.00180   2.78028
   R80        2.06929   0.00004  -0.00007   0.00004  -0.00004   2.06924
   R81        2.06302  -0.00006  -0.00002   0.00000  -0.00003   2.06299
   R82        2.07059  -0.00003  -0.00009  -0.00046  -0.00041   2.07018
   R83        2.07191  -0.00010  -0.00060  -0.00020  -0.00074   2.07116
   R84        2.06891  -0.00005  -0.00014  -0.00011  -0.00022   2.06868
   R85        2.06903  -0.00018  -0.00061  -0.00034  -0.00085   2.06818
    A1        1.92510  -0.00025   0.00189  -0.00185   0.00047   1.92557
    A2        1.93066   0.00025  -0.00133  -0.00058  -0.00187   1.92879
    A3        1.94320   0.00033  -0.00078   0.00364   0.00171   1.94491
    A4        1.89232  -0.00013   0.00023  -0.00112  -0.00051   1.89181
    A5        1.88528  -0.00007   0.00018  -0.00115  -0.00049   1.88479
    A6        1.88570  -0.00015  -0.00015   0.00100   0.00067   1.88636
    A7        1.99787  -0.00029   0.00238  -0.00680  -0.00250   1.99537
    A8        1.89975   0.00045  -0.00027   0.00429   0.00281   1.90256
    A9        1.90425  -0.00002  -0.00224   0.00203  -0.00085   1.90340
   A10        1.89224  -0.00022   0.00016  -0.00516  -0.00342   1.88881
   A11        1.90981   0.00017   0.00029   0.00448   0.00348   1.91328
   A12        1.85452  -0.00007  -0.00049   0.00173   0.00070   1.85522
   A13        2.31441  -0.00069   0.00077  -0.00650  -0.00359   2.31082
   A14        2.14292   0.00043  -0.00102   0.00557   0.00263   2.14555
   A15        1.82570   0.00027   0.00026   0.00123   0.00111   1.82681
   A16        1.92453  -0.00046  -0.00028  -0.00157  -0.00141   1.92312
   A17        2.25101  -0.00030  -0.00001  -0.00476  -0.00332   2.24768
   A18        2.10757   0.00075   0.00030   0.00626   0.00469   2.11227
   A19        1.89517   0.00058  -0.00010   0.00065   0.00038   1.89554
   A20        2.18648   0.00021   0.00040   0.00272   0.00229   2.18878
   A21        2.20152  -0.00078  -0.00030  -0.00337  -0.00267   2.19885
   A22        1.92572  -0.00006   0.00080   0.00027   0.00110   1.92682
   A23        2.16401  -0.00050  -0.00097  -0.00169  -0.00221   2.16180
   A24        2.19341   0.00056   0.00019   0.00146   0.00115   2.19455
   A25        1.85363  -0.00032  -0.00069  -0.00053  -0.00115   1.85247
   A26        2.13164   0.00105   0.00169   0.00152   0.00321   2.13484
   A27        2.28789  -0.00074  -0.00082   0.00277   0.00057   2.28846
   A28        1.92910   0.00039   0.00043   0.00160   0.00169   1.93079
   A29        1.93686  -0.00007  -0.00024   0.00174   0.00119   1.93805
   A30        1.92987   0.00004  -0.00045   0.00031  -0.00021   1.92966
   A31        1.89450   0.00000   0.00072  -0.00104  -0.00003   1.89448
   A32        1.88511  -0.00017  -0.00001  -0.00109  -0.00100   1.88411
   A33        1.88690  -0.00020  -0.00044  -0.00169  -0.00178   1.88512
   A34        1.97664   0.00024  -0.00071  -0.00063  -0.00160   1.97503
   A35        1.91210   0.00017   0.00051   0.00283   0.00260   1.91470
   A36        1.90543  -0.00020  -0.00055  -0.00009  -0.00043   1.90500
   A37        1.89415  -0.00016   0.00045   0.00050   0.00091   1.89506
   A38        1.89657  -0.00006   0.00014  -0.00162  -0.00089   1.89568
   A39        1.87630  -0.00001   0.00021  -0.00104  -0.00058   1.87573
   A40        1.92892   0.00021   0.00056   0.00149   0.00173   1.93066
   A41        1.94249  -0.00003   0.00022  -0.00051  -0.00022   1.94227
   A42        1.90784  -0.00013  -0.00080  -0.00392  -0.00354   1.90431
   A43        1.89676   0.00004   0.00004   0.00169   0.00120   1.89796
   A44        1.90301  -0.00017   0.00005  -0.00099  -0.00070   1.90231
   A45        1.88389   0.00007  -0.00009   0.00227   0.00152   1.88541
   A46        2.12063  -0.00080   0.00025   0.00181   0.00178   2.12241
   A47        2.03402   0.00026   0.00054  -0.00117  -0.00042   2.03360
   A48        2.12636   0.00052  -0.00059  -0.00035  -0.00100   2.12536
   A49        1.79058   0.00089   0.00036   0.00446   0.00357   1.79415
   A50        1.84567  -0.00025   0.00022  -0.00089  -0.00052   1.84515
   A51        1.94076  -0.00028  -0.00058  -0.00115  -0.00149   1.93927
   A52        1.92522  -0.00022  -0.00021  -0.00090  -0.00082   1.92440
   A53        1.93820   0.00046   0.00077   0.00172   0.00198   1.94019
   A54        1.89203   0.00023   0.00032   0.00021   0.00045   1.89248
   A55        1.88632  -0.00007  -0.00009   0.00002  -0.00011   1.88621
   A56        1.87940  -0.00011  -0.00021   0.00013   0.00001   1.87941
   A57        1.97260  -0.00022   0.00034   0.00075   0.00110   1.97370
   A58        1.90500   0.00032   0.00051   0.00012   0.00062   1.90562
   A59        1.90437  -0.00012  -0.00032  -0.00047  -0.00082   1.90355
   A60        1.91145  -0.00032  -0.00110  -0.00200  -0.00257   1.90888
   A61        1.91094   0.00039   0.00062   0.00189   0.00189   1.91283
   A62        1.85582  -0.00005  -0.00008  -0.00036  -0.00030   1.85552
   A63        2.31089   0.00027   0.00079  -0.00132  -0.00014   2.31075
   A64        2.14607  -0.00025  -0.00064   0.00205   0.00088   2.14696
   A65        1.82610  -0.00001  -0.00016  -0.00066  -0.00070   1.82540
   A66        1.91861   0.00001  -0.00009   0.00073   0.00050   1.91911
   A67        2.24640   0.00020   0.00052  -0.00020   0.00034   2.24674
   A68        2.11768  -0.00021  -0.00045  -0.00062  -0.00093   2.11676
   A69        1.90148   0.00001   0.00028   0.00054   0.00067   1.90216
   A70        2.18521   0.00013  -0.00012   0.00069   0.00034   2.18555
   A71        2.19617  -0.00015  -0.00020  -0.00123  -0.00108   2.19509
   A72        1.91784  -0.00041  -0.00034  -0.00110  -0.00113   1.91670
   A73        2.18036   0.00039   0.00060   0.00153   0.00168   2.18204
   A74        2.18429   0.00002  -0.00021  -0.00051  -0.00056   2.18373
   A75        1.86074   0.00040   0.00034   0.00050   0.00064   1.86138
   A76        2.19841  -0.00079  -0.00013  -0.00086  -0.00083   2.19757
   A77        2.18084   0.00041  -0.00012   0.00183   0.00133   2.18217
   A78        1.93914   0.00005   0.00021   0.00034   0.00050   1.93964
   A79        1.94196   0.00008  -0.00002   0.00027   0.00017   1.94213
   A80        1.92345   0.00015   0.00007   0.00071   0.00064   1.92408
   A81        1.89139  -0.00009  -0.00014  -0.00073  -0.00073   1.89067
   A82        1.87726  -0.00003   0.00009   0.00019   0.00024   1.87750
   A83        1.88862  -0.00018  -0.00022  -0.00085  -0.00087   1.88775
   A84        1.95524  -0.00036  -0.00059   0.00108   0.00030   1.95554
   A85        1.91385  -0.00003  -0.00027  -0.00090  -0.00091   1.91294
   A86        1.90089   0.00029   0.00057   0.00127   0.00137   1.90226
   A87        1.91945   0.00010  -0.00035  -0.00071  -0.00089   1.91856
   A88        1.91527   0.00006   0.00050  -0.00093  -0.00018   1.91509
   A89        1.85644  -0.00004   0.00020   0.00016   0.00032   1.85676
   A90        2.29213  -0.00019   0.00010   0.00311   0.00244   2.29457
   A91        2.16297   0.00031   0.00026  -0.00324  -0.00222   2.16075
   A92        1.82796  -0.00012  -0.00025   0.00007  -0.00019   1.82777
   A93        1.91580   0.00023   0.00029  -0.00042  -0.00005   1.91576
   A94        2.25208  -0.00011  -0.00007   0.00027   0.00014   2.25222
   A95        2.11528  -0.00012  -0.00021   0.00014  -0.00009   2.11519
   A96        1.89892  -0.00006   0.00009   0.00012   0.00019   1.89911
   A97        2.19193  -0.00002  -0.00010  -0.00040  -0.00041   2.19152
   A98        2.19203   0.00010   0.00006   0.00053   0.00040   2.19244
   A99        1.91300  -0.00002   0.00002   0.00006   0.00012   1.91312
   A100       2.19119   0.00005   0.00014   0.00004   0.00011   2.19130
   A101       2.17890  -0.00003  -0.00017  -0.00017  -0.00034   2.17857
   A102       1.86901  -0.00002  -0.00016   0.00022  -0.00004   1.86897
   A103       2.16483   0.00073  -0.00006   0.01171   0.00850   2.17333
   A104       2.24423  -0.00071   0.00031  -0.01315  -0.00924   2.23498
   A105       1.74134   0.00040   0.00032   0.01124   0.00790   1.74925
   A106       1.49390   0.00075  -0.00029   0.00914   0.00607   1.49997
   A107       1.54824  -0.00075   0.00030   0.00453   0.00335   1.55159
   A108       2.95447   0.00001   0.00000  -0.01024  -0.00715   2.94732
   A109       1.63314  -0.00027   0.00037  -0.01906  -0.01285   1.62029
   A110       1.68291  -0.00045   0.00023  -0.00398  -0.00283   1.68008
   A111       1.58369   0.00048  -0.00007  -0.00586  -0.00407   1.57961
   A112       1.56378  -0.00040  -0.00079   0.00520   0.00304   1.56682
   A113       2.90869  -0.00013  -0.00069   0.00784   0.00496   2.91365
   A114       2.99339   0.00001  -0.00010   0.01554   0.01072   3.00411
   A115       1.53945  -0.00066  -0.00056  -0.00194  -0.00137   1.53808
   A116       1.47305   0.00037   0.00000   0.00373   0.00292   1.47597
   A117       1.68297   0.00065   0.00059  -0.01228  -0.00829   1.67468
   A118       1.56532  -0.00040  -0.00010   0.00190   0.00118   1.56650
   A119       1.34570   0.00028   0.00012   0.00268   0.00197   1.34767
   A120       2.14858  -0.00080  -0.00093   0.01413   0.00928   2.15787
   A121       2.41254   0.00011   0.00193  -0.02845  -0.01825   2.39429
   A122       1.70959   0.00061  -0.00106   0.00931   0.00515   1.71474
   A123       2.21459  -0.00226   0.00023  -0.02452  -0.01707   2.19752
   A124       2.82613   0.00048   0.00005   0.01306   0.00978   2.83591
   A125       2.13686   0.00032   0.00112  -0.00056   0.00070   2.13756
   A126       2.10577  -0.00026  -0.00083  -0.00004  -0.00085   2.10492
   A127       2.04042  -0.00006  -0.00027   0.00046   0.00006   2.04048
   A128       2.42554  -0.00066   0.00082  -0.00795  -0.00469   2.42085
   A129       2.15051   0.00033   0.00078  -0.00029   0.00048   2.15099
   A130       2.06688  -0.00011  -0.00031   0.00020  -0.00016   2.06672
   A131       2.06577  -0.00022  -0.00048   0.00022  -0.00031   2.06546
   A132       1.96706   0.00002   0.00098  -0.00263  -0.00086   1.96619
   A133       1.90245   0.00018   0.00015   0.00275   0.00207   1.90452
   A134       1.90068   0.00007  -0.00033   0.00059   0.00008   1.90076
   A135       1.85239  -0.00033  -0.00126  -0.00303  -0.00340   1.84899
   A136       1.93804   0.00010   0.00056   0.00255   0.00237   1.94041
   A137       1.90164  -0.00005  -0.00014  -0.00021  -0.00029   1.90135
   A138       2.10242  -0.00038   0.00107  -0.00184  -0.00019   2.10223
   A139       2.02013  -0.00028  -0.00071   0.00107  -0.00005   2.02008
   A140       2.15920   0.00066   0.00013   0.00053   0.00041   2.15961
   A141       1.81457   0.00022  -0.00006   0.00583   0.00407   1.81864
   A142       2.06008  -0.00011   0.00034   0.00115   0.00113   2.06121
   A143       2.14596   0.00031   0.00009   0.00211   0.00154   2.14750
   A144       2.02749  -0.00013   0.00018   0.00016   0.00027   2.02776
   A145       1.91089   0.00034   0.00052   0.00108   0.00127   1.91216
   A146       1.89844   0.00010   0.00023   0.00025   0.00040   1.89885
   A147       1.92629  -0.00059  -0.00101  -0.00235  -0.00266   1.92363
   A148       1.91159  -0.00007   0.00012   0.00026   0.00030   1.91189
   A149       1.90767   0.00017   0.00028   0.00022   0.00044   1.90811
   A150       1.90888   0.00005  -0.00013   0.00055   0.00026   1.90914
   A151       1.90567  -0.00010  -0.00027   0.00022  -0.00011   1.90556
   A152       1.90491   0.00007   0.00039  -0.00026   0.00021   1.90512
   A153       1.97511   0.00002  -0.00029   0.00022  -0.00014   1.97497
   A154       1.87664  -0.00001  -0.00009  -0.00045  -0.00040   1.87624
   A155       1.89500  -0.00001   0.00000  -0.00037  -0.00026   1.89474
   A156       1.90400   0.00003   0.00026   0.00060   0.00068   1.90468
    D1        3.13722  -0.00008  -0.00095  -0.00008  -0.00102   3.13619
    D2        1.01708   0.00007  -0.00255   0.00802   0.00301   1.02009
    D3       -0.99961  -0.00009  -0.00058   0.00252   0.00110  -0.99852
    D4        1.04377   0.00008  -0.00161   0.00290   0.00051   1.04428
    D5       -1.07636   0.00023  -0.00321   0.01100   0.00454  -1.07182
    D6       -3.09306   0.00007  -0.00124   0.00549   0.00263  -3.09043
    D7       -1.05322  -0.00012   0.00002  -0.00038  -0.00021  -1.05343
    D8        3.10983   0.00003  -0.00158   0.00771   0.00383   3.11366
    D9        1.09314  -0.00013   0.00039   0.00221   0.00191   1.09505
   D10       -1.64525  -0.00035   0.00545  -0.11471  -0.07493  -1.72018
   D11        1.51839  -0.00065   0.00453  -0.13585  -0.09070   1.42769
   D12        0.47900  -0.00013   0.00680  -0.11759  -0.07551   0.40348
   D13       -2.64054  -0.00043   0.00587  -0.13873  -0.09129  -2.73183
   D14        2.49458  -0.00024   0.00647  -0.11596  -0.07470   2.41988
   D15       -0.62496  -0.00054   0.00554  -0.13710  -0.09047  -0.71543
   D16       -3.12891   0.00045  -0.00204  -0.00876  -0.00837  -3.13728
   D17       -0.00087  -0.00017  -0.00173  -0.01411  -0.01161  -0.01248
   D18       -0.00648   0.00072  -0.00126   0.00967   0.00535  -0.00113
   D19        3.12156   0.00009  -0.00094   0.00431   0.00211   3.12367
   D20        3.13281  -0.00049   0.00122   0.00926   0.00789   3.14070
   D21       -0.01395  -0.00005   0.00078   0.00905   0.00720  -0.00675
   D22        0.00799  -0.00071   0.00050  -0.00671  -0.00409   0.00390
   D23       -3.13877  -0.00027   0.00007  -0.00692  -0.00477   3.13964
   D24        0.00255  -0.00046   0.00157  -0.00908  -0.00464  -0.00209
   D25        3.00796  -0.00056   0.00266   0.01651   0.01442   3.02238
   D26       -3.12678   0.00012   0.00129  -0.00414  -0.00163  -3.12841
   D27       -0.12137   0.00002   0.00237   0.02145   0.01744  -0.10393
   D28       -0.00685   0.00047   0.00046   0.00134   0.00137  -0.00548
   D29       -3.13879   0.00028  -0.00113  -0.00344  -0.00364   3.14076
   D30        3.13997   0.00002   0.00090   0.00152   0.00205  -3.14117
   D31        0.00803  -0.00017  -0.00070  -0.00325  -0.00296   0.00507
   D32        0.00267  -0.00001  -0.00122   0.00461   0.00194   0.00461
   D33       -2.98579  -0.00010  -0.00274  -0.02398  -0.01973  -3.00552
   D34        3.13441   0.00017   0.00039   0.00946   0.00704   3.14145
   D35        0.14595   0.00008  -0.00112  -0.01913  -0.01463   0.13132
   D36        1.71634   0.00028   0.00207   0.00057   0.00241   1.71875
   D37       -2.89529  -0.00008   0.00224  -0.00265   0.00012  -2.89518
   D38        0.13634  -0.00007   0.00210   0.00597   0.00611   0.14245
   D39       -1.93822   0.00042  -0.00327   0.08317   0.05472  -1.88349
   D40       -1.42756   0.00036   0.00219   0.00335   0.00447  -1.42309
   D41       -1.59910   0.00025   0.00357   0.03291   0.02670  -1.57240
   D42        0.07246  -0.00011   0.00373   0.02970   0.02440   0.09686
   D43        3.10409  -0.00011   0.00359   0.03831   0.03040   3.13449
   D44        1.02954   0.00039  -0.00177   0.11551   0.07901   1.10855
   D45        1.54019   0.00033   0.00368   0.03569   0.02876   1.56895
   D46        1.13496  -0.00004  -0.00375  -0.01080  -0.01116   1.12380
   D47       -3.03101   0.00004  -0.00329  -0.00855  -0.00920  -3.04021
   D48       -0.98059   0.00001  -0.00306  -0.00824  -0.00865  -0.98924
   D49       -0.96789  -0.00025  -0.00478  -0.01170  -0.01304  -0.98093
   D50        1.14933  -0.00017  -0.00432  -0.00946  -0.01109   1.13824
   D51       -3.08344  -0.00020  -0.00409  -0.00915  -0.01053  -3.09397
   D52       -3.06170   0.00002  -0.00377  -0.01093  -0.01145  -3.07315
   D53       -0.94448   0.00011  -0.00331  -0.00869  -0.00950  -0.95397
   D54        1.10594   0.00008  -0.00308  -0.00837  -0.00894   1.09699
   D55       -0.96447   0.00001  -0.00090  -0.00960  -0.00768  -0.97215
   D56        1.14485   0.00018  -0.00033  -0.00679  -0.00513   1.13972
   D57       -3.05902   0.00017  -0.00081  -0.00682  -0.00565  -3.06467
   D58       -3.09176  -0.00026  -0.00140  -0.01314  -0.01058  -3.10235
   D59       -0.98244  -0.00009  -0.00083  -0.01033  -0.00803  -0.99047
   D60        1.09687  -0.00009  -0.00131  -0.01036  -0.00855   1.08832
   D61        1.15606  -0.00013  -0.00197  -0.01129  -0.00991   1.14615
   D62       -3.01780   0.00005  -0.00140  -0.00848  -0.00736  -3.02516
   D63       -0.93849   0.00004  -0.00188  -0.00850  -0.00788  -0.94637
   D64       -0.81461   0.00019  -0.00030  -0.03480  -0.02476  -0.83937
   D65        2.25737  -0.00004   0.00244  -0.03023  -0.01874   2.23863
   D66       -2.95093   0.00006  -0.00095  -0.03622  -0.02639  -2.97733
   D67        0.12105  -0.00017   0.00179  -0.03166  -0.02037   0.10068
   D68        1.28285   0.00005  -0.00090  -0.03934  -0.02849   1.25435
   D69       -1.92836  -0.00018   0.00184  -0.03477  -0.02247  -1.95083
   D70        2.79040  -0.00056   0.00149   0.01168   0.01007   2.80047
   D71       -0.27789  -0.00030  -0.00145   0.00690   0.00370  -0.27419
   D72       -2.82458   0.00054  -0.00128  -0.00096  -0.00235  -2.82693
   D73        0.24716   0.00025   0.00151   0.00372   0.00380   0.25096
   D74        0.10938  -0.00029  -0.00059  -0.02403  -0.01736   0.09202
   D75        0.20953  -0.00028   0.00223  -0.01249  -0.00643   0.20309
   D76       -1.04303   0.00018   0.00152   0.00217   0.00301  -1.04002
   D77        1.08851  -0.00014   0.00071   0.00021   0.00091   1.08943
   D78        3.10972  -0.00008   0.00072  -0.00041   0.00044   3.11016
   D79        3.14043   0.00023   0.00164   0.00326   0.00396  -3.13879
   D80       -1.01121  -0.00009   0.00082   0.00130   0.00186  -1.00935
   D81        1.01000  -0.00004   0.00084   0.00068   0.00139   1.01139
   D82        1.05819   0.00022   0.00153   0.00259   0.00321   1.06139
   D83       -3.09345  -0.00010   0.00072   0.00062   0.00111  -3.09234
   D84       -1.07225  -0.00005   0.00074   0.00000   0.00064  -1.07161
   D85       -0.63571   0.00030   0.00257  -0.00825  -0.00309  -0.63880
   D86        2.52522   0.00013   0.00293  -0.01401  -0.00670   2.51852
   D87       -2.76364   0.00026   0.00247  -0.00748  -0.00278  -2.76642
   D88        0.39729   0.00009   0.00283  -0.01323  -0.00639   0.39090
   D89        1.49104   0.00028   0.00283  -0.00698  -0.00203   1.48901
   D90       -1.63121   0.00011   0.00320  -0.01274  -0.00564  -1.63685
   D91       -3.12748  -0.00030  -0.00298  -0.00609  -0.00709  -3.13457
   D92        0.04770  -0.00023  -0.00214  -0.00293  -0.00417   0.04353
   D93       -0.00266  -0.00015  -0.00330  -0.00108  -0.00395  -0.00661
   D94       -3.11066  -0.00008  -0.00246   0.00209  -0.00102  -3.11169
   D95        3.13120   0.00026   0.00327   0.00280   0.00511   3.13631
   D96       -0.03662   0.00012   0.00090   0.00272   0.00275  -0.03387
   D97        0.00436   0.00013   0.00354  -0.00157   0.00235   0.00672
   D98        3.11973  -0.00002   0.00116  -0.00166  -0.00001   3.11973
   D99       -0.00003   0.00012   0.00185   0.00337   0.00414   0.00410
   D100      -2.84065  -0.00006   0.00153  -0.00200  -0.00004  -2.84069
   D101       3.11088   0.00007   0.00111   0.00048   0.00149   3.11237
   D102       0.27026  -0.00012   0.00078  -0.00489  -0.00269   0.26757
   D103      -0.00463  -0.00005  -0.00256   0.00380   0.00014  -0.00449
   D104       3.09850  -0.00009  -0.00146   0.00168  -0.00022   3.09827
   D105      -3.11979   0.00008  -0.00016   0.00385   0.00249  -3.11730
   D106      -0.01666   0.00005   0.00093   0.00173   0.00213  -0.01454
   D107       0.00285  -0.00004   0.00045  -0.00435  -0.00257   0.00028
   D108       2.84732  -0.00012   0.00076   0.00037   0.00109   2.84841
   D109      -3.10017  -0.00002  -0.00068  -0.00227  -0.00227  -3.10244
   D110      -0.25569  -0.00010  -0.00036   0.00244   0.00139  -0.25431
   D111      -0.47136   0.00048   0.00066   0.03794   0.02746  -0.44390
   D112      -1.98306  -0.00025   0.00089   0.02812   0.02094  -1.96212
   D113       1.07877  -0.00019   0.00096   0.04163   0.03020   1.10897
   D114       2.76166   0.00045   0.00154   0.02944   0.02196   2.78362
   D115       2.68020   0.00011   0.00013   0.02626   0.01857   2.69877
   D116       3.02417   0.00032   0.00021   0.03197   0.02276   3.04693
   D117       1.51247  -0.00041   0.00044   0.02215   0.01624   1.52871
   D118      -1.70888  -0.00035   0.00051   0.03566   0.02550  -1.68338
   D119      -0.02599   0.00029   0.00109   0.02347   0.01726  -0.00874
   D120      -0.10746  -0.00005  -0.00032   0.02029   0.01387  -0.09359
   D121      -1.06342  -0.00001  -0.00079   0.00333   0.00162  -1.06180
   D122       3.08347   0.00013   0.00025   0.00415   0.00319   3.08666
   D123       1.05856   0.00003  -0.00015   0.00374   0.00253   1.06109
   D124       1.04569  -0.00003  -0.00083   0.00283   0.00115   1.04684
   D125      -1.09061   0.00011   0.00021   0.00364   0.00272  -1.08788
   D126      -3.11551   0.00001  -0.00019   0.00323   0.00206  -3.11345
   D127       3.14074  -0.00010  -0.00108   0.00241   0.00059   3.14133
   D128       1.00444   0.00003  -0.00003   0.00323   0.00216   1.00660
   D129      -1.02046  -0.00007  -0.00044   0.00282   0.00150  -1.01896
   D130       0.30955  -0.00008  -0.00538   0.00773  -0.00003   0.30952
   D131      -2.85165  -0.00009  -0.00052   0.00309   0.00156  -2.85009
   D132       2.44265  -0.00030  -0.00639   0.00681  -0.00161   2.44105
   D133      -0.71854  -0.00030  -0.00153   0.00217  -0.00002  -0.71857
   D134      -1.80415  -0.00025  -0.00606   0.00604  -0.00184  -1.80599
   D135       1.31783  -0.00026  -0.00120   0.00140  -0.00025   1.31758
   D136       3.12344   0.00022   0.00297   0.00171   0.00407   3.12750
   D137      -0.02537   0.00029   0.00396  -0.00063   0.00349  -0.02188
   D138      -0.00134   0.00023  -0.00121   0.00573   0.00273   0.00139
   D139       3.13304   0.00029  -0.00022   0.00339   0.00215   3.13519
   D140      -3.11810  -0.00051  -0.00256  -0.00279  -0.00443  -3.12253
   D141      -0.00159   0.00010  -0.00066   0.00773   0.00477   0.00318
   D142       0.00827  -0.00052   0.00122  -0.00635  -0.00316   0.00511
   D143       3.12478   0.00010   0.00312   0.00417   0.00603   3.13081
   D144      -0.00621   0.00015   0.00076  -0.00303  -0.00130  -0.00751
   D145       3.03496   0.00007   0.00166  -0.01596  -0.00947   3.02548
   D146      -3.14125   0.00009  -0.00014  -0.00090  -0.00078   3.14116
   D147      -0.10008   0.00001   0.00077  -0.01384  -0.00895  -0.10903
   D148      -0.01261   0.00064  -0.00081   0.00477   0.00250  -0.01011
   D149      -3.13992   0.00051   0.00228   0.00968   0.00899  -3.13093
   D150      -3.12912   0.00002  -0.00270  -0.00574  -0.00668  -3.13580
   D151       0.02676  -0.00010   0.00039  -0.00083  -0.00020   0.02656
   D152       0.01147  -0.00048   0.00004  -0.00110  -0.00076   0.01071
   D153      -3.02364  -0.00051  -0.00089   0.01065   0.00641  -3.01723
   D154       3.13890  -0.00036  -0.00303  -0.00597  -0.00718   3.13172
   D155       0.10379  -0.00039  -0.00396   0.00578  -0.00001   0.10377
   D156      -1.40102  -0.00033  -0.00039  -0.02394  -0.01706  -1.41808
   D157       0.33313   0.00018  -0.00011  -0.01144  -0.00833   0.32480
   D158      -2.23857  -0.00030  -0.00107  -0.05299  -0.03838  -2.27695
   D159       1.89333  -0.00028  -0.00097  -0.00630  -0.00533   1.88800
   D160      -3.04221   0.00006  -0.00080  -0.00346  -0.00326  -3.04547
   D161       1.61768  -0.00036   0.00068  -0.03849  -0.02611   1.59156
   D162      -2.93136   0.00015   0.00096  -0.02600  -0.01738  -2.94874
   D163       0.78013  -0.00033   0.00000  -0.06754  -0.04743   0.73269
   D164      -1.37116  -0.00031   0.00010  -0.02085  -0.01438  -1.38554
   D165      -0.02352   0.00002   0.00028  -0.01801  -0.01231  -0.03583
   D166       1.80794   0.00039  -0.00176   0.04476   0.02946   1.83739
   D167      -1.12295   0.00100  -0.00104   0.08474   0.05785  -1.06510
   D168       0.06683   0.00000  -0.00209   0.03335   0.02145   0.08828
   D169      -2.86405   0.00062  -0.00137   0.07333   0.04984  -2.81421
   D170       2.64249   0.00044  -0.00112   0.07430   0.05108   2.69357
   D171      -0.28839   0.00105  -0.00039   0.11428   0.07948  -0.20891
   D172      -1.49836   0.00034  -0.00130   0.02893   0.01892  -1.47944
   D173       1.85395   0.00096  -0.00058   0.06891   0.04731   1.90126
   D174      -2.84197   0.00013  -0.00139   0.02562   0.01656  -2.82541
   D175       0.51033   0.00074  -0.00067   0.06560   0.04495   0.55529
   D176       0.63615  -0.00025   0.00366  -0.09594  -0.06341   0.57274
   D177      -3.01026  -0.00008  -0.00156  -0.01381  -0.01138  -3.02164
   D178       1.58974   0.00035  -0.00181  -0.00967  -0.00846   1.58128
   D179      -1.42728   0.00036  -0.00172  -0.01905  -0.01511  -1.44239
   D180       0.11206  -0.00017  -0.00194  -0.01391  -0.01175   0.10031
   D181       1.83055  -0.00003   0.00212  -0.00504  -0.00160   1.82895
   D182      -1.32089   0.00033   0.00265   0.00652   0.00719  -1.31370
   D183      -2.96541   0.00078   0.00179   0.00640   0.00601  -2.95940
   D184       0.28269   0.00074   0.00183  -0.00983  -0.00509   0.27760
   D185      -1.40446  -0.00001   0.00120   0.00330   0.00375  -1.40071
   D186      -2.91053   0.00048   0.00203   0.04821   0.03557  -2.87495
   D187       0.08991   0.00008   0.00187   0.01694   0.01335   0.10327
   D188       2.59528  -0.00074  -0.00472  -0.03539  -0.02903   2.56625
   D189      -0.36847  -0.00011  -0.00404  -0.00322  -0.00629  -0.37476
   D190       0.68759   0.00050  -0.00053   0.02621   0.01782   0.70542
   D191      -2.47173   0.00034   0.00049   0.01695   0.01238  -2.45935
   D192       0.06825  -0.00025   0.00302  -0.01961  -0.01067   0.05758
   D193      -3.08104  -0.00012   0.00194   0.00133   0.00291  -3.07813
   D194      -3.05624  -0.00010   0.00204  -0.01066  -0.00540  -3.06164
   D195       0.07766   0.00003   0.00096   0.01027   0.00817   0.08583
   D196      -1.12852   0.00007  -0.00022   0.00325   0.00205  -1.12647
   D197       0.91832   0.00003  -0.00025   0.00269   0.00163   0.91995
   D198       3.04196   0.00013   0.00017   0.00342   0.00256   3.04452
   D199       1.99629  -0.00007   0.00077  -0.00553  -0.00309   1.99320
   D200      -2.24005  -0.00011   0.00074  -0.00609  -0.00351  -2.24357
   D201      -0.11641  -0.00001   0.00116  -0.00536  -0.00259  -0.11900
   D202      -1.37170   0.00016   0.00315   0.00133   0.00412  -1.36758
   D203       0.68010  -0.00013   0.00227  -0.00224   0.00071   0.68081
   D204       2.75275  -0.00004   0.00199  -0.00056   0.00162   2.75437
   D205       1.77758   0.00003   0.00423  -0.01959  -0.00945   1.76813
   D206      -2.45380  -0.00026   0.00335  -0.02316  -0.01285  -2.46665
   D207      -0.38115  -0.00017   0.00307  -0.02148  -0.01195  -0.39310
   D208       0.52796  -0.00026  -0.00762   0.01360   0.00190   0.52986
   D209      -2.66924  -0.00021  -0.00093   0.00909   0.00542  -2.66382
   D210      -1.55316  -0.00027  -0.00755   0.01367   0.00203  -1.55113
   D211       1.53283  -0.00023  -0.00086   0.00916   0.00556   1.53838
   D212       2.66585  -0.00007  -0.00693   0.01435   0.00313   2.66898
   D213      -0.53135  -0.00003  -0.00024   0.00984   0.00665  -0.52470
   D214       1.15874   0.00009   0.00510  -0.01103  -0.00265   1.15609
   D215      -1.92264   0.00008  -0.00210  -0.00615  -0.00645  -1.92908
   D216      -0.22469   0.00045  -0.00160   0.01289   0.00745  -0.21724
   D217      -3.01981   0.00022  -0.00364   0.00134  -0.00269  -3.02251
   D218       2.85928   0.00045   0.00540   0.00814   0.01108   2.87035
   D219       0.06416   0.00023   0.00335  -0.00342   0.00094   0.06509
   D220      -2.45491   0.00009   0.00089   0.00097   0.00157  -2.45334
   D221      -0.36658   0.00027   0.00148   0.00207   0.00293  -0.36366
   D222       1.72767   0.00003   0.00084   0.00148   0.00188   1.72955
   D223       1.02719  -0.00013  -0.00115  -0.01056  -0.00855   1.01864
   D224       3.11552   0.00004  -0.00057  -0.00946  -0.00719   3.10833
   D225      -1.07342  -0.00019  -0.00120  -0.01005  -0.00823  -1.08165
         Item               Value     Threshold  Converged?
 Maximum Force            0.005615     0.000450     NO 
 RMS     Force            0.000527     0.000300     NO 
 Maximum Displacement     0.215036     0.001800     NO 
 RMS     Displacement     0.033528     0.001200     NO 
 Predicted change in Energy=-7.836687D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.716123    2.769757    3.566269
      2          6           0       -3.067338    1.374235    3.761962
      3          6           0       -1.786497    1.172901    2.996554
      4          6           0       -1.506401    0.550595    1.788060
      5          7           0       -0.541978    1.636373    3.454888
      6          6           0        0.420196    1.293947    2.533683
      7          7           0       -0.129963    0.629507    1.508993
      8          6           0       -5.075382    1.213066    0.188046
      9          6           0       -5.872150    0.292362   -0.764213
     10          6           0       -5.362730   -1.172834   -0.764184
     11          6           0       -3.880218   -1.224401   -1.099564
     12          8           0       -3.398454   -0.588533   -2.089940
     13          8           0       -3.093658   -1.916709   -0.248805
     14          6           0       -1.968467    4.335829   -3.024435
     15          6           0       -0.512169    4.153167   -3.513184
     16          6           0        0.151369    2.923562   -2.947295
     17          6           0        0.076251    2.307082   -1.706421
     18          7           0        1.061304    2.141739   -3.675951
     19          6           0        1.491056    1.102947   -2.885817
     20          7           0        0.908968    1.177338   -1.681524
     21          6           0        5.065582    3.615345    1.265158
     22          6           0        5.497023    2.205967    1.726692
     23          6           0        4.438452    1.172929    1.451334
     24          6           0        3.339409    1.187235    0.606283
     25          7           0        4.409362   -0.096647    2.053753
     26          6           0        3.328791   -0.795419    1.564619
     27          7           0        2.660126   -0.034681    0.691961
     28         30           0        0.811273   -0.444412   -0.242983
     29          1           0       -4.643691    2.843201    4.146071
     30          1           0       -3.954055    2.937410    2.511656
     31          1           0       -3.046348    3.572734    3.895786
     32          1           0       -3.778180    0.603521    3.448301
     33          1           0       -2.886899    1.209639    4.832759
     34          1           0       -2.180325    0.047900    1.116834
     35          1           0       -0.386136    2.142272    4.317371
     36          1           0        1.465502    1.531527    2.640945
     37          1           0       -4.034285    1.304073   -0.144019
     38          1           0       -5.081856    0.819733    1.214379
     39          1           0       -5.513624    2.219648    0.207481
     40          1           0       -6.933382    0.294052   -0.479280
     41          1           0       -5.804818    0.686286   -1.785231
     42          1           0       -5.519997   -1.648381    0.209762
     43          1           0       -5.919917   -1.747405   -1.517055
     44          1           0       -2.589513    3.477707   -3.304970
     45          1           0       -2.406069    5.238922   -3.464739
     46          1           0       -2.009559    4.443482   -1.933447
     47          1           0       -0.503673    4.099464   -4.611113
     48          1           0        0.071979    5.044973   -3.242984
     49          1           0       -0.529742    2.573807   -0.857267
     50          1           0        1.332891    2.305589   -4.637064
     51          1           0        2.165320    0.323680   -3.201458
     52          1           0        4.879035    3.637721    0.184622
     53          1           0        4.153470    3.940443    1.779266
     54          1           0        5.856172    4.342961    1.479485
     55          1           0        5.731490    2.225191    2.800968
     56          1           0        6.428706    1.929737    1.210544
     57          1           0        2.990896    1.974785   -0.039682
     58          1           0        5.081532   -0.445032    2.725686
     59          1           0        3.046739   -1.795578    1.852102
     60          8           0       -1.005138   -0.921186   -0.877470
     61          1           0       -1.446829   -0.487892   -1.645952
     62          1           0       -1.922220   -1.530322   -0.478143
     63          6           0        2.262065   -2.990929   -1.779248
     64          8           0        1.915992   -1.773045   -1.679288
     65          7           0        1.441128   -4.016822   -1.417979
     66          6           0        0.066691   -3.819132   -0.949880
     67          6           0        0.000331   -3.361720    0.520120
     68          8           0        0.939415   -2.661025    1.021507
     69          7           0       -1.126842   -3.698362    1.190412
     70          1           0       -0.400802   -3.018365   -1.535924
     71          1           0       -0.496080   -4.745091   -1.101489
     72          1           0        1.799691   -4.962352   -1.470708
     73          1           0       -1.918083   -4.045370    0.653378
     74          6           0       -1.424177   -3.221747    2.550208
     75          1           0       -1.879900   -4.030665    3.130710
     76          1           0       -0.491867   -2.911321    3.025834
     77          1           0       -2.113197   -2.370975    2.510933
     78          6           0        3.619761   -3.364152   -2.343689
     79          1           0        3.670295   -3.055355   -3.394087
     80          1           0        4.397095   -2.816109   -1.801684
     81          1           0        3.830095   -4.436599   -2.285349
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0957004      0.0727621      0.0671951
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4914.0222688879 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33758 LenP2D=  122324.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.45D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999988   -0.004393    0.001948   -0.000180 Ang=  -0.55 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.96838236     A.U. after   11 cycles
            NFock= 11  Conv=0.47D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33758 LenP2D=  122324.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000203292   -0.000110619   -0.000271436
      3        6          -0.000324385    0.000494136    0.000321464
      4        6           0.000085719   -0.000408356    0.000716126
      5        7           0.000948433   -0.001060782   -0.001026786
      6        6          -0.001358136   -0.000372476    0.000528848
      7        7           0.002155207    0.002320604   -0.000519064
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000113639    0.000151525    0.000511997
     10        6           0.000349458   -0.000492631   -0.000016356
     11        6          -0.003631277    0.003074475    0.001483357
     12        8           0.002004702    0.000020930   -0.000254027
     13        8           0.005055780    0.000839376   -0.000575789
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000149477    0.000167696   -0.000025205
     16        6          -0.000198592   -0.000383760    0.000903299
     17        6           0.000184786    0.000563383   -0.000335680
     18        7           0.000003400   -0.000413820   -0.000206952
     19        6          -0.000098933    0.000151888   -0.000240809
     20        7          -0.000244769    0.000457719   -0.000240200
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000073331   -0.000178629   -0.000327898
     23        6          -0.000043900    0.000108451    0.000124144
     24        6           0.000149964    0.000356767    0.000820716
     25        7          -0.001176104   -0.000209111   -0.001252751
     26        6           0.000923991    0.000535041    0.000555986
     27        7          -0.002754502    0.001313230   -0.001917833
     28       30           0.001572990   -0.007168887    0.003798365
     29        1           0.000000873    0.000097202   -0.000020476
     30        1           0.000685061   -0.000362727   -0.000694547
     31        1          -0.000077542   -0.000865277    0.000576321
     32        1           0.000390287    0.000672650   -0.000744031
     33        1          -0.000527253    0.000691082    0.000931535
     34        1           0.000332682    0.000323165    0.000070888
     35        1          -0.000254247   -0.000191212   -0.000076581
     36        1           0.000028327    0.000072141    0.000234789
     37        1          -0.000046992   -0.000190619    0.000158357
     38        1           0.000207774    0.000106321    0.000256175
     39        1          -0.000105545   -0.000014804    0.000174055
     40        1           0.000081544    0.000088407   -0.000158023
     41        1           0.000084119   -0.000111607   -0.000189459
     42        1          -0.000012200    0.000118023    0.000047821
     43        1          -0.000230101    0.000025692   -0.000138285
     44        1          -0.000058774    0.000045689    0.000013925
     45        1           0.000038842   -0.000184002   -0.000027327
     46        1           0.000076540    0.000000356   -0.000036014
     47        1           0.000007401    0.000214987   -0.000168820
     48        1          -0.000049997   -0.000249269   -0.000213075
     49        1           0.000168939    0.000114011    0.000411511
     50        1          -0.000080596    0.000013863   -0.000073333
     51        1           0.000053882   -0.000056330    0.000113756
     52        1           0.000053750    0.000022600    0.000042917
     53        1           0.000111442   -0.000053869    0.000113396
     54        1           0.000095059   -0.000058717    0.000056581
     55        1           0.000229647   -0.000041916    0.000210136
     56        1          -0.000146973    0.000148933    0.000255238
     57        1          -0.000182837   -0.000050403   -0.000216403
     58        1           0.000030342   -0.000027565    0.000032471
     59        1           0.000246295   -0.000045486    0.000318117
     60        8          -0.001494093    0.007977436   -0.002157830
     61        1          -0.002990217   -0.002235840   -0.000701704
     62        1          -0.001580643   -0.004637060    0.000094843
     63        6          -0.000251727    0.000490244    0.000173022
     64        8           0.001732094   -0.000461017   -0.000015834
     65        7           0.000463073   -0.000589286   -0.000314027
     66        6          -0.000540138    0.000082004    0.000315156
     67        6           0.000206829    0.001494325   -0.000522867
     68        8           0.001050221   -0.001646081   -0.000276354
     69        7           0.000403757   -0.001158001   -0.000276869
     70        1           0.000210156   -0.000104920   -0.000009291
     71        1           0.000063973    0.000088276    0.000002293
     72        1          -0.000118231    0.000173531    0.000031622
     73        1          -0.000589483    0.000258800    0.000135414
     74        6           0.000104708    0.000321783   -0.000025065
     75        1          -0.000083688    0.000026022    0.000106445
     76        1           0.000100990   -0.000035212    0.000002369
     77        1           0.000022840   -0.000084366   -0.000102902
     78        6          -0.000318876   -0.000004510    0.000371155
     79        1           0.000095341   -0.000077804   -0.000129434
     80        1          -0.000010458   -0.000016926   -0.000008162
     81        1          -0.000088733    0.000084294   -0.000067231
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.007977436 RMS     0.001094889

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003448968 RMS     0.000399866
 Search for a local minimum.
 Step number  19 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   17   18   19
 DE= -9.18D-04 DEPred=-7.84D-04 R= 1.17D+00
 TightC=F SS=  1.41D+00  RLast= 3.27D-01 DXNew= 5.0454D+00 9.8135D-01
 Trust test= 1.17D+00 RLast= 3.27D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00107   0.00229   0.00230   0.00231   0.00232
     Eigenvalues ---    0.00293   0.00367   0.00430   0.00526   0.00528
     Eigenvalues ---    0.00553   0.00649   0.00721   0.00737   0.00746
     Eigenvalues ---    0.00775   0.00833   0.00883   0.00982   0.01204
     Eigenvalues ---    0.01218   0.01288   0.01369   0.01407   0.01470
     Eigenvalues ---    0.01491   0.01513   0.01580   0.01644   0.01716
     Eigenvalues ---    0.01826   0.01839   0.01867   0.01881   0.01898
     Eigenvalues ---    0.01938   0.01984   0.02021   0.02107   0.02181
     Eigenvalues ---    0.02231   0.02262   0.02310   0.02328   0.02367
     Eigenvalues ---    0.02612   0.02962   0.03228   0.03486   0.03819
     Eigenvalues ---    0.03981   0.04073   0.04091   0.04187   0.04518
     Eigenvalues ---    0.04654   0.04772   0.04908   0.05320   0.05372
     Eigenvalues ---    0.05383   0.05400   0.05434   0.05441   0.05449
     Eigenvalues ---    0.05489   0.05516   0.05529   0.05535   0.05559
     Eigenvalues ---    0.05864   0.05936   0.06896   0.06915   0.07213
     Eigenvalues ---    0.07465   0.07467   0.07597   0.07931   0.08118
     Eigenvalues ---    0.08333   0.08992   0.09267   0.09426   0.09445
     Eigenvalues ---    0.09614   0.09747   0.09909   0.10438   0.11015
     Eigenvalues ---    0.11601   0.12295   0.12813   0.12896   0.12948
     Eigenvalues ---    0.13149   0.13539   0.14585   0.15168   0.15499
     Eigenvalues ---    0.15765   0.15907   0.15967   0.15975   0.15985
     Eigenvalues ---    0.15992   0.15995   0.15998   0.15998   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16000   0.16001   0.16003   0.16006   0.16009
     Eigenvalues ---    0.16014   0.16023   0.16050   0.16063   0.16104
     Eigenvalues ---    0.16140   0.16210   0.16270   0.16927   0.17499
     Eigenvalues ---    0.18015   0.18373   0.20233   0.20721   0.21232
     Eigenvalues ---    0.21523   0.22088   0.22184   0.22303   0.22397
     Eigenvalues ---    0.22818   0.22939   0.23119   0.23398   0.23719
     Eigenvalues ---    0.23830   0.24364   0.24405   0.24722   0.24941
     Eigenvalues ---    0.25011   0.25216   0.26312   0.27296   0.27700
     Eigenvalues ---    0.28033   0.28190   0.28296   0.29240   0.30401
     Eigenvalues ---    0.30519   0.30746   0.31452   0.31495   0.31739
     Eigenvalues ---    0.33545   0.33609   0.33619   0.33648   0.33662
     Eigenvalues ---    0.33749   0.33799   0.33822   0.33846   0.33915
     Eigenvalues ---    0.33929   0.33939   0.33983   0.33985   0.33995
     Eigenvalues ---    0.34029   0.34041   0.34045   0.34079   0.34086
     Eigenvalues ---    0.34126   0.34143   0.34174   0.34176   0.34186
     Eigenvalues ---    0.34237   0.34299   0.34315   0.34614   0.35509
     Eigenvalues ---    0.35605   0.35756   0.36012   0.36234   0.36333
     Eigenvalues ---    0.36436   0.36486   0.38659   0.39021   0.39389
     Eigenvalues ---    0.41845   0.42257   0.42559   0.42611   0.45255
     Eigenvalues ---    0.45303   0.45393   0.45471   0.45575   0.45588
     Eigenvalues ---    0.45617   0.45701   0.48190   0.48878   0.49097
     Eigenvalues ---    0.49501   0.49825   0.50346   0.52251   0.54525
     Eigenvalues ---    0.54876   0.55138   0.57027   0.66846   0.73153
     Eigenvalues ---    0.760811000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    19   18
 RFO step:  Lambda=-2.91636790D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    2.88273   -1.88273
 Iteration  1 RMS(Cart)=  0.09969323 RMS(Int)=  0.00938121
 Iteration  2 RMS(Cart)=  0.02630357 RMS(Int)=  0.00137016
 Iteration  3 RMS(Cart)=  0.00094542 RMS(Int)=  0.00127222
 New curvilinear step failed, DQL= 1.22D-05 SP=-2.11D-01.
 ITry= 1 IFail=1 DXMaxC= 5.29D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.09588123 RMS(Int)=  0.00801956
 Iteration  2 RMS(Cart)=  0.02214047 RMS(Int)=  0.00125545
 Iteration  3 RMS(Cart)=  0.00068570 RMS(Int)=  0.00120201
 New curvilinear step failed, DQL= 8.24D-06 SP=-2.28D-01.
 ITry= 2 IFail=1 DXMaxC= 5.15D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.09228068 RMS(Int)=  0.00670050
 Iteration  2 RMS(Cart)=  0.01802122 RMS(Int)=  0.00115984
 Iteration  3 RMS(Cart)=  0.00047074 RMS(Int)=  0.00113433
 New curvilinear step failed, DQL= 5.51D-06 SP=-2.35D-01.
 ITry= 3 IFail=1 DXMaxC= 5.01D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08891821 RMS(Int)=  0.00545099
 Iteration  2 RMS(Cart)=  0.01399918 RMS(Int)=  0.00107933
 Iteration  3 RMS(Cart)=  0.00030171 RMS(Int)=  0.00106916
 New curvilinear step failed, DQL= 3.71D-06 SP=-2.27D-01.
 ITry= 4 IFail=1 DXMaxC= 4.87D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08582831 RMS(Int)=  0.00432842
 Iteration  2 RMS(Cart)=  0.01020404 RMS(Int)=  0.00100974
 Iteration  3 RMS(Cart)=  0.00018300 RMS(Int)=  0.00100650
 New curvilinear step failed, DQL= 2.64D-06 SP=-1.91D-01.
 ITry= 5 IFail=1 DXMaxC= 4.73D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08318841 RMS(Int)=  0.00348475
 Iteration  2 RMS(Cart)=  0.00707885 RMS(Int)=  0.00094722
 Iteration  3 RMS(Cart)=  0.00012079 RMS(Int)=  0.00094636
 New curvilinear step failed, DQL= 2.18D-06 SP=-1.31D-01.
 ITry= 6 IFail=1 DXMaxC= 4.59D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07962932 RMS(Int)=  0.00302769
 Iteration  2 RMS(Cart)=  0.00573032 RMS(Int)=  0.00088912
 Iteration  3 RMS(Cart)=  0.00010356 RMS(Int)=  0.00088870
 New curvilinear step failed, DQL= 2.04D-06 SP=-8.34D-02.
 ITry= 7 IFail=1 DXMaxC= 4.45D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07613213 RMS(Int)=  0.00271465
 Iteration  2 RMS(Cart)=  0.00505489 RMS(Int)=  0.00083379
 Iteration  3 RMS(Cart)=  0.00008241 RMS(Int)=  0.00083353
 New curvilinear step failed, DQL= 3.16D-05 SP=-3.39D-03.
 ITry= 8 IFail=1 DXMaxC= 4.30D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07208722 RMS(Int)=  0.00253021
 Iteration  2 RMS(Cart)=  0.00476209 RMS(Int)=  0.00078102
 Iteration  3 RMS(Cart)=  0.00006764 RMS(Int)=  0.00078083
 New curvilinear step failed, DQL= 3.74D-05 SP=-2.12D-03.
 ITry= 9 IFail=1 DXMaxC= 4.16D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06767528 RMS(Int)=  0.00232705
 Iteration  2 RMS(Cart)=  0.00436977 RMS(Int)=  0.00073071
 Iteration  3 RMS(Cart)=  0.00005445 RMS(Int)=  0.00073057
 New curvilinear step failed, DQL= 4.88D-05 SP=-1.10D-03.
 ITry=10 IFail=1 DXMaxC= 4.01D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.02287679 RMS(Int)=  0.03961604 XScale=  5.00454718
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.02288289 RMS(Int)=  0.02975753 XScale=  2.50406726
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.02291737 RMS(Int)=  0.01994965 XScale=  1.67000538
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.02303493 RMS(Int)=  0.01025035 XScale=  1.25222314
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.02350414 RMS(Int)=  0.00204390 XScale=  0.99991662
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00322209 RMS(Int)=  0.00122392 XScale=  0.99766459
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00064442 RMS(Int)=  0.00178477 XScale=  0.99955884
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00065119 RMS(Int)=  0.00155567 XScale=  0.99925391
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00066122 RMS(Int)=  0.00137118 XScale=  0.99903870
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.00067841 RMS(Int)=  0.00124984 XScale=  0.99898832
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00027136 RMS(Int)=  0.00131396 XScale=  0.99902393
 RedQX1 iteration     3 Try  2 RMS(Cart)=  0.00027498 RMS(Int)=  0.00126806 XScale=  0.99904585
 RedQX1 iteration     3 Try  3 RMS(Cart)=  0.00028013 RMS(Int)=  0.00123449 XScale=  0.99912022
 RedQX1 iteration     3 Try  4 RMS(Cart)=  0.00028856 RMS(Int)=  0.00121385 XScale=  0.99927892
 RedQX1 iteration     3 Try  5 RMS(Cart)=  0.00030794 RMS(Int)=  0.00120584 XScale=  0.99961851
 RedQX1 iteration     3 Try  6 RMS(Cart)=  0.00004591 RMS(Int)=  0.00120517 XScale=  0.99981315
 RedQX1 iteration     4 Try  1 RMS(Cart)=  0.00000113 RMS(Int)=  0.00120516 XScale=  0.99981363
 RedQX1 iteration     4 Try  2 RMS(Cart)=  0.00000115 RMS(Int)=  0.00120516 XScale=  0.99981386
 RedQX1 iteration     4 Try  3 RMS(Cart)=  0.00000117 RMS(Int)=  0.00120516 XScale=  0.99981377
 RedQX1 iteration     4 Try  4 RMS(Cart)=  0.00000121 RMS(Int)=  0.00120516 XScale=  0.99981318
 RedQX1 iteration     4 Try  5 RMS(Cart)=  0.00000130 RMS(Int)=  0.00120517 XScale=  0.99981161
 RedQX1 iteration     4 Try  6 RMS(Cart)=  0.00000022 RMS(Int)=  0.00120517 XScale=  0.99981064
 RedQX1 iteration     5 Try  1 RMS(Cart)=  0.00000001 RMS(Int)=  0.00120517 XScale=  0.99981064
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00012997 RMS(Int)=  0.00017438 XScale=  5.11163106
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00013008 RMS(Int)=  0.00013476 XScale=  2.55730082
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00013024 RMS(Int)=  0.00009713 XScale=  1.70597444
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00013049 RMS(Int)=  0.00006497 XScale=  1.28044628
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00013106 RMS(Int)=  0.00005007 XScale=  1.02534727
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000432 RMS(Int)=  0.00005004 XScale=  1.02583383
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48454   0.00043   0.00000   0.00000  -0.00015   8.48438
    Y1       -0.92766  -0.00024   0.00000   0.00000   0.00009  -0.92757
    Z1        7.47501   0.00001   0.00000   0.00000  -0.00011   7.47490
    X8       10.19803   0.00003   0.00000   0.00000   0.00012  10.19814
    Y8        1.20628   0.00045   0.00000   0.00000  -0.00016   1.20611
    Z8        0.50965   0.00040   0.00000   0.00000   0.00011   0.50977
   X14        7.21041   0.00039   0.00000   0.00000  -0.00005   7.21036
   Y14       -7.64142  -0.00020   0.00000   0.00000   0.00009  -7.64133
   Z14       -3.84246  -0.00024   0.00000   0.00000  -0.00006  -3.84252
   X21       -6.13880   0.00021   0.00000   0.00000   0.00009  -6.13871
   Y21       -9.38866  -0.00006   0.00000   0.00000  -0.00002  -9.38868
   Z21        4.09466   0.00027   0.00000   0.00000   0.00005   4.09472
    R1        2.93163   0.00074  -0.00753   0.00497  -0.00033   2.93130
    R2        2.07177   0.00003  -0.00181   0.00055  -0.00126   2.07051
    R3        2.06744   0.00095  -0.01118   0.00583  -0.00535   2.06209
    R4        2.07177   0.00101  -0.01730   0.00690  -0.01040   2.06138
    R5        2.84524  -0.00014  -0.00770  -0.00014  -0.00678   2.83846
    R6        2.06809   0.00103  -0.01859   0.00613  -0.01246   2.05563
    R7        2.07548   0.00120  -0.01596   0.00752  -0.00844   2.06704
    R8        2.62269  -0.00038   0.00141  -0.00198   0.00185   2.62454
    R9        2.65485   0.00004  -0.00434   0.00006  -0.00523   2.64962
   R10        2.65820   0.00026   0.00371   0.00002   0.00540   2.66360
   R11        2.03303   0.00026  -0.00055  -0.00047  -0.00102   2.03202
   R12        2.59908  -0.00028  -0.00567   0.00035  -0.00641   2.59267
   R13        1.91236  -0.00001  -0.00053   0.00010  -0.00043   1.91193
   R14        2.53121   0.00062   0.00211   0.00075   0.00307   2.53428
   R15        2.03583  -0.00002  -0.00087   0.00036  -0.00051   2.03533
   R16        4.27122   0.00060  -0.03959  -0.00552  -0.04319   4.22803
   R17        2.92104   0.00046  -0.01114   0.00209  -0.01215   2.90888
   R18        2.07219   0.00009   0.00138   0.00004   0.00142   2.07361
   R19        2.07708   0.00023  -0.00215   0.00050  -0.00165   2.07543
   R20        2.07495  -0.00003   0.00342  -0.00063   0.00279   2.07774
   R21        2.93140   0.00044  -0.00377   0.00274  -0.00404   2.92736
   R22        2.07647   0.00007  -0.00036   0.00022  -0.00014   2.07632
   R23        2.07198   0.00023  -0.00040   0.00100   0.00060   2.07257
   R24        2.87399  -0.00007   0.00305   0.00080   0.00430   2.87829
   R25        2.06962   0.00011  -0.00142   0.00033  -0.00109   2.06853
   R26        2.07647   0.00005  -0.00114   0.00026  -0.00087   2.07560
   R27        2.40320   0.00080  -0.00111  -0.00052  -0.00096   2.40224
   R28        2.55061  -0.00345  -0.01084  -0.00324  -0.01603   2.53458
   R29        3.78705   0.00159   0.07010   0.07278   0.14509   3.93214
   R30        2.37095   0.00319   0.02446   0.01932   0.04337   2.41433
   R31        2.92331  -0.00022   0.00018  -0.00073  -0.00020   2.92311
   R32        2.07076   0.00002   0.00162  -0.00003   0.00159   2.07235
   R33        2.07090   0.00016  -0.00192   0.00059  -0.00133   2.06957
   R34        2.07314  -0.00003  -0.00252   0.00037  -0.00215   2.07098
   R35        2.84869  -0.00025   0.00054  -0.00113   0.00059   2.84929
   R36        2.07733   0.00013   0.00018   0.00044   0.00062   2.07795
   R37        2.07832   0.00013   0.00031   0.00025   0.00057   2.07888
   R38        2.62220  -0.00008  -0.00024   0.00051   0.00014   2.62234
   R39        2.65247   0.00022  -0.00001   0.00020   0.00056   2.65303
   R40        2.65260  -0.00018  -0.00130  -0.00116  -0.00173   2.65087
   R41        2.03480   0.00045   0.00182   0.00071   0.00253   2.03733
   R42        2.59663   0.00009   0.00228  -0.00017   0.00274   2.59937
   R43        1.91259   0.00007  -0.00014   0.00026   0.00011   1.91270
   R44        2.53159   0.00011  -0.00044  -0.00007  -0.00045   2.53114
   R45        2.03663  -0.00011  -0.00122   0.00032  -0.00090   2.03573
   R46        4.10076  -0.00071  -0.01361  -0.01131  -0.02399   4.07677
   R47        2.91869   0.00006  -0.00306  -0.00034  -0.00421   2.91448
   R48        2.07256  -0.00003  -0.00004  -0.00011  -0.00014   2.07241
   R49        2.07177   0.00014   0.00071   0.00023   0.00094   2.07271
   R50        2.07043   0.00003  -0.00106   0.00031  -0.00075   2.06968
   R51        2.84312   0.00002  -0.00181   0.00064  -0.00078   2.84234
   R52        2.07819   0.00014   0.00020   0.00034   0.00054   2.07874
   R53        2.07934  -0.00003  -0.00032   0.00008  -0.00024   2.07909
   R54        2.61999  -0.00009   0.00132   0.00079   0.00342   2.62341
   R55        2.65611  -0.00003  -0.00151  -0.00027  -0.00231   2.65380
   R56        2.64686  -0.00022  -0.00048  -0.00076  -0.00037   2.64649
   R57        2.03439   0.00002   0.00011   0.00022   0.00033   2.03472
   R58        2.60149   0.00029   0.00001   0.00063  -0.00014   2.60135
   R59        1.91290  -0.00001  -0.00026   0.00003  -0.00023   1.91267
   R60        2.52642   0.00000  -0.00094   0.00058  -0.00035   2.52607
   R61        2.03751  -0.00006  -0.00014   0.00000  -0.00014   2.03736
   R62        3.99097   0.00054   0.02415   0.01293   0.03792   4.02889
   R63        3.74587   0.00085   0.02311   0.01870   0.04371   3.78958
   R64        4.24606  -0.00091  -0.01203  -0.01117  -0.02301   4.22305
   R65        4.82851  -0.00159  -0.01880  -0.02868  -0.04723   4.78127
   R66        1.86442   0.00000  -0.00242  -0.00186  -0.00317   1.86125
   R67        2.21312  -0.00150  -0.01320  -0.01448  -0.02735   2.18577
   R68        2.40003   0.00050  -0.00117   0.00043  -0.00080   2.39923
   R69        2.57510  -0.00014  -0.00391  -0.00063  -0.00493   2.57017
   R70        2.86667   0.00023  -0.00026   0.00069   0.00042   2.86710
   R71        2.76913  -0.00014  -0.00336  -0.00064  -0.00435   2.76478
   R72        1.91355   0.00019  -0.00124   0.00065  -0.00059   1.91296
   R73        2.91197  -0.00020  -0.00327  -0.00116  -0.00461   2.90737
   R74        2.07287   0.00021   0.00042   0.00096   0.00139   2.07426
   R75        2.06758   0.00009  -0.00007   0.00045   0.00038   2.06796
   R76        2.40838   0.00077   0.00285   0.00146   0.00456   2.41294
   R77        2.55856  -0.00052  -0.00323  -0.00219  -0.00543   2.55314
   R78        1.92240  -0.00033  -0.00135  -0.00111  -0.00246   1.91994
   R79        2.78028   0.00002  -0.00340   0.00048  -0.00291   2.77737
   R80        2.06924   0.00005  -0.00008   0.00029   0.00020   2.06944
   R81        2.06299  -0.00005  -0.00005  -0.00007  -0.00012   2.06288
   R82        2.07018   0.00005  -0.00078  -0.00013  -0.00090   2.06928
   R83        2.07116   0.00016  -0.00140   0.00057  -0.00083   2.07033
   R84        2.06868   0.00001  -0.00042   0.00018  -0.00024   2.06845
   R85        2.06818   0.00013  -0.00160   0.00067  -0.00093   2.06726
    A1        1.92557  -0.00033   0.00089  -0.00114  -0.00025   1.92532
    A2        1.92879   0.00055  -0.00352   0.00265  -0.00088   1.92791
    A3        1.94491   0.00031   0.00322   0.00277   0.00598   1.95089
    A4        1.89181  -0.00022  -0.00096  -0.00233  -0.00329   1.88851
    A5        1.88479  -0.00009  -0.00092  -0.00270  -0.00362   1.88117
    A6        1.88636  -0.00025   0.00125   0.00053   0.00178   1.88814
    A7        1.99537  -0.00024  -0.00471  -0.00275  -0.00717   1.98820
    A8        1.90256   0.00016   0.00529  -0.00159   0.00408   1.90664
    A9        1.90340   0.00023  -0.00160   0.00412   0.00189   1.90529
   A10        1.88881  -0.00005  -0.00645  -0.00477  -0.01133   1.87748
   A11        1.91328  -0.00004   0.00654   0.00412   0.01061   1.92390
   A12        1.85522  -0.00004   0.00132   0.00102   0.00240   1.85762
   A13        2.31082  -0.00047  -0.00676  -0.00666  -0.01060   2.30022
   A14        2.14555   0.00044   0.00494   0.00628   0.00831   2.15386
   A15        1.82681   0.00003   0.00209   0.00035   0.00221   1.82901
   A16        1.92312  -0.00003  -0.00266   0.00104  -0.00210   1.92101
   A17        2.24768  -0.00036  -0.00626  -0.00759  -0.01363   2.23405
   A18        2.11227   0.00038   0.00884   0.00680   0.01585   2.12812
   A19        1.89554   0.00033   0.00071  -0.00068   0.00034   1.89588
   A20        2.18878   0.00014   0.00431   0.00312   0.00728   2.19605
   A21        2.19885  -0.00047  -0.00503  -0.00244  -0.00764   2.19121
   A22        1.92682  -0.00037   0.00207   0.00047   0.00382   1.93064
   A23        2.16180  -0.00004  -0.00417  -0.00034  -0.00537   2.15643
   A24        2.19455   0.00041   0.00216  -0.00005   0.00125   2.19580
   A25        1.85247   0.00004  -0.00217  -0.00111  -0.00451   1.84797
   A26        2.13484   0.00152   0.00604   0.01674   0.02863   2.16348
   A27        2.28846  -0.00156   0.00108  -0.01338  -0.01882   2.26964
   A28        1.93079   0.00034   0.00318   0.00140   0.00457   1.93536
   A29        1.93805  -0.00014   0.00224  -0.00010   0.00213   1.94018
   A30        1.92966   0.00019  -0.00039   0.00099   0.00060   1.93026
   A31        1.89448  -0.00002  -0.00005  -0.00013  -0.00020   1.89428
   A32        1.88411  -0.00022  -0.00188  -0.00083  -0.00271   1.88140
   A33        1.88512  -0.00017  -0.00335  -0.00143  -0.00477   1.88035
   A34        1.97503   0.00065  -0.00302   0.00516  -0.00180   1.97323
   A35        1.91470  -0.00011   0.00489  -0.00080   0.00505   1.91975
   A36        1.90500  -0.00016  -0.00081  -0.00024   0.00029   1.90529
   A37        1.89506  -0.00024   0.00172  -0.00136   0.00156   1.89662
   A38        1.89568  -0.00022  -0.00167  -0.00157  -0.00207   1.89361
   A39        1.87573   0.00005  -0.00109  -0.00153  -0.00321   1.87251
   A40        1.93066   0.00011   0.00327   0.00170   0.00639   1.93705
   A41        1.94227  -0.00002  -0.00041   0.00113   0.00010   1.94237
   A42        1.90431   0.00014  -0.00666  -0.00100  -0.00782   1.89648
   A43        1.89796   0.00006   0.00226   0.00065   0.00264   1.90061
   A44        1.90231  -0.00030  -0.00132  -0.00336  -0.00530   1.89701
   A45        1.88541   0.00000   0.00285   0.00076   0.00380   1.88920
   A46        2.12241  -0.00117   0.00335  -0.00446   0.00163   2.12404
   A47        2.03360   0.00045  -0.00079  -0.00080  -0.00251   2.03108
   A48        2.12536   0.00070  -0.00187   0.00456   0.00088   2.12625
   A49        1.79415   0.00032   0.00673   0.00016   0.00751   1.80166
   A50        1.84515  -0.00045  -0.00098   0.00064  -0.00154   1.84362
   A51        1.93927  -0.00005  -0.00281   0.00006  -0.00275   1.93652
   A52        1.92440  -0.00014  -0.00154  -0.00081  -0.00235   1.92206
   A53        1.94019   0.00013   0.00373   0.00013   0.00387   1.94405
   A54        1.89248   0.00010   0.00085  -0.00014   0.00070   1.89318
   A55        1.88621  -0.00003  -0.00020   0.00021   0.00001   1.88622
   A56        1.87941  -0.00001   0.00002   0.00058   0.00060   1.88001
   A57        1.97370  -0.00034   0.00206  -0.00146   0.00291   1.97661
   A58        1.90562   0.00020   0.00117   0.00003   0.00112   1.90674
   A59        1.90355   0.00005  -0.00154   0.00146  -0.00132   1.90223
   A60        1.90888  -0.00006  -0.00483  -0.00060  -0.00615   1.90273
   A61        1.91283   0.00024   0.00355   0.00087   0.00373   1.91656
   A62        1.85552  -0.00007  -0.00056  -0.00024  -0.00050   1.85502
   A63        2.31075   0.00023  -0.00027  -0.00100  -0.00098   2.30976
   A64        2.14696  -0.00042   0.00166  -0.00036   0.00157   2.14853
   A65        1.82540   0.00019  -0.00132   0.00147  -0.00051   1.82489
   A66        1.91911  -0.00016   0.00094  -0.00121   0.00053   1.91964
   A67        2.24674   0.00019   0.00064  -0.00049  -0.00024   2.24650
   A68        2.11676  -0.00002  -0.00174   0.00161  -0.00053   2.11623
   A69        1.90216  -0.00016   0.00127  -0.00166  -0.00007   1.90209
   A70        2.18555   0.00016   0.00064   0.00179   0.00225   2.18780
   A71        2.19509   0.00000  -0.00203  -0.00030  -0.00249   2.19260
   A72        1.91670  -0.00011  -0.00213   0.00075  -0.00136   1.91534
   A73        2.18204   0.00010   0.00316  -0.00037   0.00279   2.18483
   A74        2.18373   0.00001  -0.00106  -0.00001  -0.00111   2.18262
   A75        1.86138   0.00024   0.00121   0.00061   0.00126   1.86264
   A76        2.19757  -0.00065  -0.00157  -0.00339  -0.00498   2.19259
   A77        2.18217   0.00042   0.00251   0.00344   0.00670   2.18886
   A78        1.93964   0.00002   0.00094  -0.00003   0.00091   1.94055
   A79        1.94213   0.00003   0.00032  -0.00033  -0.00001   1.94212
   A80        1.92408   0.00012   0.00120   0.00077   0.00197   1.92605
   A81        1.89067  -0.00004  -0.00137  -0.00014  -0.00150   1.88916
   A82        1.87750  -0.00003   0.00045   0.00066   0.00111   1.87860
   A83        1.88775  -0.00012  -0.00164  -0.00095  -0.00259   1.88516
   A84        1.95554  -0.00016   0.00057   0.00021   0.00229   1.95783
   A85        1.91294  -0.00002  -0.00171  -0.00204  -0.00381   1.90914
   A86        1.90226   0.00013   0.00258   0.00191   0.00368   1.90594
   A87        1.91856   0.00003  -0.00167  -0.00114  -0.00330   1.91526
   A88        1.91509   0.00007  -0.00034   0.00103   0.00023   1.91532
   A89        1.85676  -0.00004   0.00061   0.00004   0.00086   1.85762
   A90        2.29457  -0.00027   0.00459   0.00173   0.00826   2.30283
   A91        2.16075   0.00029  -0.00418  -0.00153  -0.00774   2.15300
   A92        1.82777  -0.00002  -0.00037  -0.00013  -0.00044   1.82732
   A93        1.91576   0.00017  -0.00009   0.00054  -0.00003   1.91573
   A94        2.25222  -0.00012   0.00026  -0.00037   0.00011   2.25233
   A95        2.11519  -0.00005  -0.00018  -0.00011  -0.00006   2.11513
   A96        1.89911  -0.00008   0.00035  -0.00022   0.00021   1.89932
   A97        2.19152   0.00002  -0.00077  -0.00049  -0.00149   2.19003
   A98        2.19244   0.00007   0.00076   0.00084   0.00136   2.19380
   A99        1.91312  -0.00002   0.00023   0.00032   0.00127   1.91438
   A100       2.19130   0.00001   0.00021  -0.00015  -0.00031   2.19099
   A101       2.17857   0.00002  -0.00064  -0.00011  -0.00115   2.17742
   A102       1.86897  -0.00004  -0.00008  -0.00038  -0.00095   1.86802
   A103       2.17333   0.00079   0.01600   0.01324   0.03298   2.20631
   A104       2.23498  -0.00075  -0.01741  -0.01397  -0.03490   2.20009
   A105       1.74925   0.00011   0.01488   0.00486   0.01743   1.76668
   A106       1.49997   0.00045   0.01143   0.00323   0.01339   1.51336
   A107       1.55159  -0.00065   0.00630   0.00408   0.01027   1.56186
   A108       2.94732   0.00024  -0.01346  -0.00436  -0.01768   2.92964
   A109       1.62029  -0.00010  -0.02419  -0.01019  -0.03333   1.58696
   A110       1.68008  -0.00033  -0.00532  -0.00266  -0.01122   1.66886
   A111       1.57961   0.00067  -0.00767   0.00438  -0.00236   1.57725
   A112       1.56682  -0.00033   0.00572  -0.00037   0.00700   1.57382
   A113       2.91365  -0.00001   0.00933   0.00534   0.01583   2.92947
   A114       3.00411  -0.00035   0.02019   0.00275   0.02286   3.02697
   A115       1.53808  -0.00029  -0.00258  -0.00407  -0.00181   1.53627
   A116       1.47597   0.00030   0.00551   0.00367   0.01275   1.48872
   A117       1.67468   0.00046  -0.01561  -0.00415  -0.02239   1.65229
   A118       1.56650  -0.00059   0.00222  -0.00773  -0.00590   1.56060
   A119       1.34767   0.00033   0.00370   0.00590   0.00906   1.35673
   A120       2.15787  -0.00096   0.01748  -0.00647   0.01388   2.17174
   A121       2.39429  -0.00002  -0.03436  -0.01297  -0.04988   2.34441
   A122       1.71474   0.00090   0.00970   0.01283   0.01895   1.73368
   A123       2.19752  -0.00185  -0.03214  -0.02762  -0.06070   2.13681
   A124       2.83591   0.00047   0.01841   0.01435   0.03914   2.87505
   A125       2.13756   0.00018   0.00132   0.00005   0.00106   2.13862
   A126       2.10492  -0.00014  -0.00160  -0.00055  -0.00200   2.10292
   A127       2.04048  -0.00004   0.00011   0.00068   0.00093   2.04141
   A128       2.42085  -0.00037  -0.00884   0.00129  -0.00783   2.41302
   A129       2.15099   0.00025   0.00090  -0.00086  -0.00071   2.15027
   A130       2.06672  -0.00008  -0.00030   0.00052   0.00034   2.06706
   A131       2.06546  -0.00017  -0.00059   0.00031  -0.00016   2.06530
   A132       1.96619   0.00020  -0.00163   0.00186   0.00063   1.96682
   A133       1.90452  -0.00005   0.00390  -0.00220   0.00159   1.90610
   A134       1.90076   0.00004   0.00015   0.00114   0.00114   1.90190
   A135       1.84899  -0.00018  -0.00641  -0.00292  -0.00963   1.83936
   A136       1.94041  -0.00003   0.00446   0.00190   0.00643   1.94683
   A137       1.90135   0.00001  -0.00054  -0.00002  -0.00050   1.90085
   A138       2.10223  -0.00041  -0.00036   0.00015   0.00042   2.10265
   A139       2.02008  -0.00008  -0.00009   0.00046  -0.00005   2.02003
   A140       2.15961   0.00048   0.00078   0.00007   0.00044   2.16005
   A141       1.81864   0.00062   0.00766   0.02480   0.03270   1.85133
   A142       2.06121  -0.00024   0.00213  -0.00017   0.00167   2.06287
   A143       2.14750   0.00048   0.00291   0.00527   0.00790   2.15540
   A144       2.02776  -0.00017   0.00051   0.00128   0.00150   2.02926
   A145       1.91216   0.00015   0.00239   0.00077   0.00317   1.91532
   A146       1.89885   0.00006   0.00076   0.00025   0.00100   1.89985
   A147       1.92363  -0.00021  -0.00501  -0.00089  -0.00590   1.91773
   A148       1.91189  -0.00006   0.00056  -0.00051   0.00005   1.91194
   A149       1.90811   0.00008   0.00083   0.00040   0.00124   1.90935
   A150       1.90914  -0.00001   0.00049  -0.00003   0.00046   1.90959
   A151       1.90556  -0.00014  -0.00021  -0.00170  -0.00191   1.90365
   A152       1.90512   0.00003   0.00040   0.00008   0.00047   1.90560
   A153       1.97497   0.00009  -0.00026   0.00098   0.00071   1.97568
   A154       1.87624   0.00002  -0.00075  -0.00015  -0.00090   1.87534
   A155       1.89474   0.00001  -0.00049   0.00026  -0.00023   1.89451
   A156       1.90468  -0.00001   0.00128   0.00048   0.00176   1.90644
    D1        3.13619  -0.00002  -0.00193  -0.00329  -0.00497   3.13122
    D2        1.02009   0.00010   0.00567   0.00589   0.01142   1.03152
    D3       -0.99852  -0.00007   0.00206   0.00329   0.00525  -0.99327
    D4        1.04428   0.00012   0.00096  -0.00136  -0.00015   1.04413
    D5       -1.07182   0.00023   0.00855   0.00783   0.01624  -1.05558
    D6       -3.09043   0.00006   0.00495   0.00523   0.01007  -3.08036
    D7       -1.05343  -0.00015  -0.00039  -0.00564  -0.00578  -1.05921
    D8        3.11366  -0.00003   0.00720   0.00355   0.01061   3.12427
    D9        1.09505  -0.00020   0.00360   0.00095   0.00443   1.09948
   D10       -1.72018  -0.00020  -0.14107  -0.11699  -0.25896  -1.97914
   D11        1.42769  -0.00031  -0.17077  -0.11000  -0.28199   1.14570
   D12        0.40348  -0.00019  -0.14217  -0.12436  -0.26662   0.13687
   D13       -2.73183  -0.00030  -0.17187  -0.11738  -0.28965  -3.02148
   D14        2.41988  -0.00029  -0.14064  -0.12358  -0.26443   2.15546
   D15       -0.71543  -0.00040  -0.17034  -0.11659  -0.28745  -1.00289
   D16       -3.13728   0.00025  -0.01575  -0.01876  -0.03579   3.11012
   D17       -0.01248  -0.00004  -0.02185  -0.00057  -0.02237  -0.03485
   D18       -0.00113   0.00035   0.01007  -0.02480  -0.01588  -0.01701
   D19        3.12367   0.00006   0.00397  -0.00661  -0.00246   3.12121
   D20        3.14070  -0.00040   0.01486   0.00315   0.01940  -3.12308
   D21       -0.00675  -0.00004   0.01356   0.00243   0.01660   0.00986
   D22        0.00390  -0.00048  -0.00769   0.00852   0.00169   0.00559
   D23        3.13964  -0.00012  -0.00899   0.00779  -0.00110   3.13853
   D24       -0.00209  -0.00009  -0.00874   0.03212   0.02430   0.02221
   D25        3.02238  -0.00022   0.02716   0.04859   0.07794   3.10032
   D26       -3.12841   0.00019  -0.00306   0.01572   0.01216  -3.11625
   D27       -0.10393   0.00005   0.03283   0.03220   0.06579  -0.03814
   D28       -0.00548   0.00045   0.00258   0.01152   0.01385   0.00837
   D29        3.14076   0.00021  -0.00685  -0.00899  -0.01638   3.12438
   D30       -3.14117   0.00009   0.00385   0.01222   0.01657  -3.12460
   D31        0.00507  -0.00015  -0.00558  -0.00828  -0.01366  -0.00859
   D32        0.00461  -0.00022   0.00365  -0.02630  -0.02308  -0.01847
   D33       -3.00552  -0.00038  -0.03714  -0.04776  -0.08575  -3.09127
   D34        3.14145   0.00002   0.01325  -0.00533   0.00797  -3.13377
   D35        0.13132  -0.00014  -0.02754  -0.02679  -0.05470   0.07661
   D36        1.71875   0.00030   0.00454   0.05564   0.06015   1.77890
   D37       -2.89518   0.00003   0.00022   0.05325   0.05037  -2.84481
   D38        0.14245  -0.00026   0.01151   0.05055   0.06084   0.20329
   D39       -1.88349   0.00020   0.10303   0.06207   0.16325  -1.72024
   D40       -1.42309   0.00036   0.00842   0.05789   0.06592  -1.35716
   D41       -1.57240   0.00034   0.05026   0.07846   0.12991  -1.44249
   D42        0.09686   0.00007   0.04595   0.07606   0.12013   0.21700
   D43        3.13449  -0.00022   0.05723   0.07336   0.13060  -3.01809
   D44        1.10855   0.00024   0.14875   0.08488   0.23301   1.34156
   D45        1.56895   0.00040   0.05414   0.08070   0.13569   1.70464
   D46        1.12380  -0.00002  -0.02100  -0.00958  -0.03049   1.09331
   D47       -3.04021   0.00004  -0.01733  -0.00839  -0.02607  -3.06628
   D48       -0.98924  -0.00006  -0.01629  -0.01084  -0.02687  -1.01611
   D49       -0.98093  -0.00013  -0.02455  -0.01029  -0.03475  -1.01568
   D50        1.13824  -0.00008  -0.02087  -0.00910  -0.03033   1.10791
   D51       -3.09397  -0.00017  -0.01983  -0.01154  -0.03112  -3.12509
   D52       -3.07315   0.00005  -0.02155  -0.00908  -0.03054  -3.10369
   D53       -0.95397   0.00010  -0.01788  -0.00789  -0.02612  -0.98010
   D54        1.09699   0.00001  -0.01684  -0.01034  -0.02692   1.07008
   D55       -0.97215  -0.00013  -0.01447  -0.02334  -0.03822  -1.01037
   D56        1.13972   0.00000  -0.00966  -0.02060  -0.03041   1.10931
   D57       -3.06467   0.00008  -0.01064  -0.01961  -0.03064  -3.09531
   D58       -3.10235  -0.00026  -0.01992  -0.02478  -0.04458   3.13626
   D59       -0.99047  -0.00012  -0.01512  -0.02204  -0.03677  -1.02724
   D60        1.08832  -0.00004  -0.01610  -0.02105  -0.03700   1.05132
   D61        1.14615  -0.00007  -0.01866  -0.02136  -0.04049   1.10567
   D62       -3.02516   0.00007  -0.01385  -0.01862  -0.03268  -3.05784
   D63       -0.94637   0.00015  -0.01484  -0.01763  -0.03291  -0.97928
   D64       -0.83937   0.00018  -0.04661  -0.01441  -0.06175  -0.90112
   D65        2.23863  -0.00016  -0.03528  -0.02661  -0.06174   2.17689
   D66       -2.97733   0.00009  -0.04969  -0.01734  -0.06779  -3.04512
   D67        0.10068  -0.00025  -0.03836  -0.02954  -0.06778   0.03289
   D68        1.25435   0.00023  -0.05365  -0.01673  -0.07084   1.18351
   D69       -1.95083  -0.00011  -0.04231  -0.02892  -0.07083  -2.02166
   D70        2.80047  -0.00031   0.01895   0.00647   0.02988   2.83034
   D71       -0.27419   0.00006   0.00697   0.01952   0.02999  -0.24420
   D72       -2.82693   0.00031  -0.00443   0.00581  -0.00355  -2.83048
   D73        0.25096  -0.00011   0.00715  -0.00676  -0.00351   0.24745
   D74        0.09202  -0.00022  -0.03269  -0.03034  -0.06193   0.03008
   D75        0.20309  -0.00009  -0.01211  -0.01675  -0.02802   0.17507
   D76       -1.04002   0.00009   0.00567   0.00269   0.00810  -1.03192
   D77        1.08943  -0.00007   0.00172   0.00097   0.00300   1.09243
   D78        3.11016  -0.00001   0.00083   0.00151   0.00229   3.11245
   D79       -3.13879   0.00009   0.00745   0.00337   0.01056  -3.12823
   D80       -1.00935  -0.00008   0.00350   0.00164   0.00546  -1.00389
   D81        1.01139  -0.00002   0.00262   0.00218   0.00475   1.01614
   D82        1.06139   0.00011   0.00603   0.00309   0.00886   1.07025
   D83       -3.09234  -0.00006   0.00209   0.00136   0.00376  -3.08859
   D84       -1.07161   0.00000   0.00120   0.00190   0.00305  -1.06856
   D85       -0.63880   0.00030  -0.00581   0.04305   0.03795  -0.60085
   D86        2.51852   0.00013  -0.01261   0.03259   0.02134   2.53986
   D87       -2.76642   0.00031  -0.00523   0.04443   0.03898  -2.72744
   D88        0.39090   0.00015  -0.01203   0.03397   0.02237   0.41327
   D89        1.48901   0.00029  -0.00382   0.04456   0.04097   1.52998
   D90       -1.63685   0.00013  -0.01062   0.03410   0.02437  -1.61249
   D91       -3.13457  -0.00006  -0.01335  -0.01031  -0.02191   3.12671
   D92        0.04353  -0.00016  -0.00784  -0.00755  -0.01512   0.02841
   D93       -0.00661   0.00008  -0.00744  -0.00126  -0.00752  -0.01413
   D94       -3.11169  -0.00002  -0.00193   0.00151  -0.00073  -3.11242
   D95        3.13631   0.00009   0.00962   0.01557   0.02371  -3.12317
   D96       -0.03387   0.00008   0.00518   0.00911   0.01373  -0.02014
   D97        0.00672  -0.00004   0.00443   0.00760   0.01103   0.01775
   D98        3.11973  -0.00005  -0.00001   0.00114   0.00105   3.12078
   D99        0.00410  -0.00010   0.00779  -0.00563   0.00123   0.00534
   D100      -2.84069  -0.00025  -0.00008  -0.00865  -0.01054  -2.85124
   D101       3.11237   0.00001   0.00281  -0.00820  -0.00496   3.10741
   D102       0.26757  -0.00015  -0.00506  -0.01122  -0.01674   0.25084
   D103      -0.00449  -0.00002   0.00027  -0.01158  -0.01086  -0.01534
   D104       3.09827   0.00003  -0.00042  -0.00138  -0.00097   3.09731
   D105      -3.11730  -0.00001   0.00469  -0.00513  -0.00094  -3.11824
   D106      -0.01454   0.00004   0.00400   0.00508   0.00895  -0.00559
   D107       0.00028   0.00007  -0.00484   0.01046   0.00590   0.00617
   D108       2.84841  -0.00001   0.00204   0.01197   0.01511   2.86352
   D109      -3.10244   0.00002  -0.00427   0.00025  -0.00409  -3.10652
   D110      -0.25431  -0.00006   0.00262   0.00176   0.00513  -0.24917
   D111      -0.44390   0.00036   0.05170   0.01143   0.06460  -0.37929
   D112      -1.96212  -0.00005   0.03943   0.00811   0.05132  -1.91079
   D113       1.10897  -0.00018   0.05686   0.01639   0.07470   1.18368
   D114       2.78362   0.00027   0.04134   0.01223   0.05237   2.83599
   D115       2.69877   0.00006   0.03496   0.00153   0.03725   2.73602
   D116       3.04693   0.00026   0.04285   0.00864   0.05211   3.09904
   D117       1.52871  -0.00016   0.03058   0.00532   0.03883   1.56754
   D118      -1.68338  -0.00029   0.04801   0.01361   0.06221  -1.62117
   D119      -0.00874   0.00017   0.03249   0.00944   0.03988   0.03114
   D120      -0.09359  -0.00004   0.02611  -0.00126   0.02476  -0.06883
   D121      -1.06180  -0.00002   0.00305   0.00370   0.00691  -1.05489
   D122       3.08666   0.00007   0.00600   0.00644   0.01223   3.09889
   D123       1.06109   0.00005   0.00476   0.00645   0.01126   1.07235
   D124       1.04684  -0.00003   0.00217   0.00328   0.00561   1.05246
   D125      -1.08788   0.00006   0.00512   0.00602   0.01094  -1.07695
   D126      -3.11345   0.00004   0.00388   0.00603   0.00996  -3.10349
   D127       3.14133  -0.00008   0.00111   0.00239   0.00366  -3.13819
   D128       1.00660   0.00001   0.00407   0.00513   0.00899   1.01559
   D129      -1.01896  -0.00001   0.00283   0.00514   0.00801  -1.01095
   D130       0.30952  -0.00011  -0.00005  -0.02148  -0.02204   0.28748
   D131      -2.85009  -0.00014   0.00294  -0.01557  -0.01349  -2.86358
   D132       2.44105  -0.00023  -0.00303  -0.02474  -0.02766   2.41339
   D133      -0.71857  -0.00025  -0.00004  -0.01883  -0.01911  -0.73768
   D134      -1.80599  -0.00022  -0.00346  -0.02475  -0.02840  -1.83440
   D135       1.31758  -0.00024  -0.00048  -0.01884  -0.01986   1.29772
   D136       3.12750   0.00006   0.00765  -0.00237   0.00394   3.13144
   D137      -0.02188   0.00026   0.00657   0.00670   0.01293  -0.00895
   D138       0.00139   0.00007   0.00513  -0.00743  -0.00336  -0.00197
   D139       3.13519   0.00027   0.00405   0.00163   0.00563   3.14082
   D140      -3.12253  -0.00034  -0.00833  -0.00433  -0.01147  -3.13400
   D141       0.00318   0.00005   0.00898   0.00412   0.01341   0.01659
   D142       0.00511  -0.00036  -0.00596   0.00027  -0.00480   0.00031
   D143       3.13081   0.00003   0.01136   0.00872   0.02008  -3.13229
   D144      -0.00751   0.00025  -0.00244   0.01206   0.01046   0.00295
   D145       3.02548   0.00020  -0.01784   0.00072  -0.01657   3.00891
   D146       3.14116   0.00007  -0.00146   0.00383   0.00230  -3.13973
   D147      -0.10903   0.00002  -0.01686  -0.00750  -0.02473  -0.13376
   D148      -0.01011   0.00054   0.00471   0.00733   0.01164   0.00154
   D149      -3.13093   0.00027   0.01692   0.00377   0.01973  -3.11120
   D150      -3.13580   0.00014  -0.01258  -0.00112  -0.01327   3.13411
   D151       0.02656  -0.00012  -0.00037  -0.00468  -0.00518   0.02138
   D152       0.01071  -0.00048  -0.00142  -0.01174  -0.01343  -0.00272
   D153      -3.01723  -0.00056   0.01207  -0.00216   0.00793  -3.00930
   D154       3.13172  -0.00022  -0.01352  -0.00822  -0.02142   3.11029
   D155       0.10377  -0.00030  -0.00002   0.00136  -0.00007   0.10371
   D156      -1.41808  -0.00012  -0.03212  -0.00164  -0.03335  -1.45143
   D157       0.32480   0.00006  -0.01568   0.00371  -0.01403   0.31077
   D158      -2.27695  -0.00035  -0.07226  -0.05472  -0.12938  -2.40633
   D159       1.88800  -0.00030  -0.01003   0.00298  -0.00679   1.88121
   D160      -3.04547   0.00006  -0.00614   0.00923   0.00227  -3.04320
   D161       1.59156  -0.00010  -0.04917  -0.01400  -0.06200   1.52956
   D162      -2.94874   0.00007  -0.03273  -0.00865  -0.04268  -2.99143
   D163       0.73269  -0.00034  -0.08931  -0.06708  -0.15803   0.57466
   D164      -1.38554  -0.00028  -0.02708  -0.00938  -0.03544  -1.42099
   D165      -0.03583   0.00007  -0.02318  -0.00313  -0.02638  -0.06221
   D166       1.83739   0.00014   0.05546   0.02708   0.08209   1.91948
   D167      -1.06510   0.00067   0.10892   0.07334   0.17803  -0.88706
   D168       0.08828   0.00004   0.04038   0.02228   0.06457   0.15285
   D169      -2.81421   0.00057   0.09384   0.06854   0.16052  -2.65369
   D170       2.69357   0.00043   0.09617   0.08004   0.17854   2.87211
   D171      -0.20891   0.00096   0.14963   0.12631   0.27448   0.06557
   D172      -1.47944   0.00030   0.03562   0.02223   0.05793  -1.42151
   D173       1.90126   0.00083   0.08908   0.06849   0.15387   2.05513
   D174      -2.82541   0.00005   0.03118   0.01701   0.04876  -2.77665
   D175       0.55529   0.00058   0.08464   0.06327   0.14471   0.69999
   D176       0.57274  -0.00021  -0.11939  -0.05931  -0.17795   0.39479
   D177      -3.02164  -0.00029  -0.02142  -0.05259  -0.07557  -3.09721
   D178       1.58128   0.00003  -0.01593  -0.04998  -0.06412   1.51716
   D179      -1.44239   0.00034  -0.02845  -0.04821  -0.07730  -1.51969
   D180       0.10031  -0.00034  -0.02212  -0.05458  -0.07744   0.02288
   D181       1.82895  -0.00001  -0.00301   0.02814   0.02444   1.85339
   D182      -1.31370   0.00028   0.01353   0.03790   0.05128  -1.26242
   D183      -2.95940   0.00047   0.01131   0.03261   0.04143  -2.91797
   D184       0.27760   0.00067  -0.00959   0.02438   0.01410   0.29170
   D185      -1.40071   0.00007   0.00705   0.02704   0.03598  -1.36473
   D186      -2.87495   0.00027   0.06698   0.04870   0.11295  -2.76200
   D187       0.10327  -0.00012   0.02514   0.01480   0.03562   0.13889
   D188       2.56625  -0.00056  -0.05466  -0.03310  -0.08279   2.48347
   D189      -0.37476   0.00004  -0.01184   0.00674  -0.00494  -0.37970
   D190       0.70542   0.00022   0.03356   0.03923   0.07299   0.77841
   D191      -2.45935   0.00032   0.02331   0.04887   0.07252  -2.38683
   D192       0.05758   0.00001  -0.02009   0.01010  -0.00956   0.04803
   D193      -3.07813   0.00011   0.00547   0.01511   0.02098  -3.05715
   D194      -3.06164  -0.00009  -0.01017   0.00081  -0.00907  -3.07071
   D195       0.08583   0.00002   0.01538   0.00582   0.02147   0.10730
   D196      -1.12647  -0.00004   0.00386  -0.00446  -0.00066  -1.12713
   D197       0.91995  -0.00008   0.00307  -0.00556  -0.00256   0.91739
   D198       3.04452  -0.00001   0.00481  -0.00423   0.00052   3.04504
   D199       1.99320   0.00006  -0.00582   0.00466  -0.00110   1.99210
   D200      -2.24357   0.00002  -0.00662   0.00355  -0.00300  -2.24657
   D201      -0.11900   0.00009  -0.00487   0.00488   0.00008  -0.11892
   D202      -1.36758   0.00020   0.00775  -0.00077   0.00732  -1.36027
   D203       0.68081   0.00006   0.00135  -0.00469  -0.00322   0.67759
   D204       2.75437   0.00007   0.00304  -0.00533  -0.00224   2.75213
   D205       1.76813   0.00009  -0.01779  -0.00578  -0.02319   1.74495
   D206      -2.46665  -0.00005  -0.02420  -0.00970  -0.03373  -2.50038
   D207      -0.39310  -0.00004  -0.02250  -0.01034  -0.03274  -0.42584
   D208       0.52986  -0.00010   0.00358  -0.00744  -0.00384   0.52602
   D209      -2.66382  -0.00019   0.01021   0.00672   0.01677  -2.64705
   D210      -1.55113  -0.00003   0.00383  -0.00394  -0.00001  -1.55113
   D211       1.53838  -0.00013   0.01046   0.01022   0.02060   1.55898
   D212       2.66898   0.00008   0.00590  -0.00319   0.00292   2.67190
   D213      -0.52470  -0.00001   0.01253   0.01097   0.02353  -0.50117
   D214       1.15609  -0.00002  -0.00499   0.00120  -0.00437   1.15172
   D215      -1.92908   0.00010  -0.01214  -0.01416  -0.02668  -1.95576
   D216      -0.21724   0.00050   0.01402   0.02126   0.03538  -0.18186
   D217      -3.02251   0.00029  -0.00507  -0.00122  -0.00623  -3.02873
   D218       2.87035   0.00037   0.02086   0.03595   0.05674   2.92710
   D219       0.06509   0.00017   0.00176   0.01347   0.01514   0.08023
   D220      -2.45334   0.00014   0.00295   0.02220   0.02516  -2.42818
   D221      -0.36366   0.00019   0.00551   0.02219   0.02771  -0.33594
   D222       1.72955   0.00008   0.00354   0.02178   0.02533   1.75488
   D223       1.01864  -0.00005  -0.01609   0.00040  -0.01571   1.00293
   D224       3.10833   0.00000  -0.01353   0.00039  -0.01316   3.09517
   D225      -1.08165  -0.00010  -0.01550  -0.00003  -0.01554  -1.09719
         Item               Value     Threshold  Converged?
 Maximum Force            0.003434     0.000450     NO 
 RMS     Force            0.000402     0.000300     NO 
 Maximum Displacement     0.529562     0.001800     NO 
 RMS     Displacement     0.114838     0.001200     NO 
 Predicted change in Energy=-1.424200D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.708221    2.756155    3.620132
      2          6           0       -3.181225    1.297524    3.648754
      3          6           0       -1.885396    1.103745    2.914300
      4          6           0       -1.571852    0.395655    1.761394
      5          7           0       -0.675027    1.685411    3.317536
      6          6           0        0.301746    1.329952    2.422051
      7          7           0       -0.206431    0.557041    1.451037
      8          6           0       -5.050783    1.215840    0.227889
      9          6           0       -5.853864    0.318088   -0.730543
     10          6           0       -5.368744   -1.153079   -0.733447
     11          6           0       -3.895851   -1.240990   -1.111298
     12          8           0       -3.439968   -0.680429   -2.157204
     13          8           0       -3.094919   -1.876243   -0.243033
     14          6           0       -1.946739    4.371561   -2.954939
     15          6           0       -0.506817    4.173886   -3.484349
     16          6           0        0.165888    2.941910   -2.933808
     17          6           0        0.093812    2.309784   -1.700566
     18          7           0        1.067942    2.164026   -3.676908
     19          6           0        1.485139    1.103938   -2.906039
     20          7           0        0.912052    1.170373   -1.697236
     21          6           0        5.076903    3.652287    1.351822
     22          6           0        5.453987    2.245602    1.859425
     23          6           0        4.400323    1.223005    1.533221
     24          6           0        3.339421    1.236936    0.637943
     25          7           0        4.332692   -0.038655    2.146238
     26          6           0        3.265672   -0.731361    1.620318
     27          7           0        2.649269    0.020051    0.702549
     28         30           0        0.810687   -0.445358   -0.271322
     29          1           0       -4.657689    2.828238    4.162165
     30          1           0       -3.877110    3.080626    2.592058
     31          1           0       -3.005841    3.449423    4.084846
     32          1           0       -3.918711    0.640871    3.192451
     33          1           0       -3.079006    0.972977    4.688315
     34          1           0       -2.225744   -0.205259    1.155102
     35          1           0       -0.542921    2.275806    4.128470
     36          1           0        1.324559    1.659486    2.494814
     37          1           0       -3.997619    1.268622   -0.075657
     38          1           0       -5.098648    0.838573    1.258216
     39          1           0       -5.452469    2.239329    0.226960
     40          1           0       -6.918465    0.336822   -0.459413
     41          1           0       -5.770135    0.714067   -1.749890
     42          1           0       -5.512043   -1.620754    0.245805
     43          1           0       -5.955791   -1.715244   -1.472188
     44          1           0       -2.578983    3.511904   -3.207681
     45          1           0       -2.390446    5.270290   -3.396312
     46          1           0       -1.958845    4.493996   -1.865951
     47          1           0       -0.529752    4.109476   -4.581823
     48          1           0        0.089913    5.065202   -3.240051
     49          1           0       -0.506654    2.569673   -0.843703
     50          1           0        1.337765    2.337105   -4.636962
     51          1           0        2.149682    0.321904   -3.233596
     52          1           0        4.953053    3.660416    0.262195
     53          1           0        4.141891    4.001970    1.806253
     54          1           0        5.864459    4.371224    1.601634
     55          1           0        5.613518    2.280596    2.947252
     56          1           0        6.413924    1.945288    1.413561
     57          1           0        3.029910    2.018440   -0.034956
     58          1           0        4.961399   -0.377870    2.863241
     59          1           0        2.951206   -1.718560    1.918489
     60          8           0       -0.981106   -0.985883   -0.991590
     61          1           0       -1.390296   -0.611179   -1.805379
     62          1           0       -1.906800   -1.514249   -0.542395
     63          6           0        2.386812   -2.953237   -1.708786
     64          8           0        1.968884   -1.755250   -1.663025
     65          7           0        1.608207   -4.013269   -1.362497
     66          6           0        0.206884   -3.881454   -0.963179
     67          6           0        0.046393   -3.388841    0.485475
     68          8           0        0.923842   -2.623954    1.010291
     69          7           0       -1.078561   -3.786594    1.119227
     70          1           0       -0.275767   -3.117161   -1.585867
     71          1           0       -0.299424   -4.838753   -1.120544
     72          1           0        2.026421   -4.935062   -1.350809
     73          1           0       -1.806620   -4.233791    0.569515
     74          6           0       -1.471562   -3.306991    2.451748
     75          1           0       -1.871013   -4.138913    3.041320
     76          1           0       -0.593154   -2.894017    2.951252
     77          1           0       -2.235825   -2.528565    2.356828
     78          6           0        3.792352   -3.260309   -2.190521
     79          1           0        3.879393   -2.976229   -3.245037
     80          1           0        4.506699   -2.652102   -1.626709
     81          1           0        4.060855   -4.316136   -2.091269
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0959984      0.0729087      0.0667218
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4914.4210579739 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33733 LenP2D=  122321.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.40D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999961   -0.002068    0.006792   -0.005240 Ang=  -1.01 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.96993063     A.U. after   12 cycles
            NFock= 12  Conv=0.61D-08     -V/T= 1.9786
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33733 LenP2D=  122321.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000983747   -0.003352653    0.000558427
      3        6          -0.000701614    0.001378572   -0.002472787
      4        6           0.000161585   -0.003543048    0.001998759
      5        7           0.000339541   -0.000824530    0.001103021
      6        6          -0.001933011   -0.003229075   -0.002685508
      7        7           0.001771775    0.004661936    0.002707564
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000163141    0.000492728   -0.001605006
     10        6           0.000302421    0.000262279   -0.002162956
     11        6           0.000541472    0.000883064    0.000828681
     12        8           0.002468332   -0.000871801   -0.001592010
     13        8          -0.000462332    0.001450038    0.002932105
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000677112   -0.000526162   -0.000218714
     16        6          -0.000222655   -0.000402886    0.001583562
     17        6           0.001251963    0.000635871    0.000246285
     18        7          -0.000007514    0.001281264   -0.000711253
     19        6           0.000236872   -0.001587768    0.000628865
     20        7           0.000081051    0.000193671   -0.000329639
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000027195    0.000020757    0.000061964
     23        6           0.000810976    0.000349911   -0.000305711
     24        6          -0.000993635   -0.000275539    0.000048415
     25        7          -0.000166566    0.000409835   -0.000281377
     26        6          -0.000252046    0.000736829    0.000472483
     27        7          -0.000620364    0.002498227   -0.000632168
     28       30           0.002815998   -0.004894225    0.003056041
     29        1           0.000167159    0.000261901    0.000253476
     30        1           0.001222417   -0.001578031   -0.002430809
     31        1          -0.001797410   -0.003449302    0.003007636
     32        1           0.002339755    0.003330031   -0.002355912
     33        1          -0.001419697    0.001794669    0.003611401
     34        1           0.000661101    0.000146657   -0.001441930
     35        1           0.000365629    0.000108140    0.000098296
     36        1          -0.000611398    0.000183468   -0.000049002
     37        1           0.000184612    0.000161401    0.000329725
     38        1          -0.000037584    0.000384799    0.000032743
     39        1          -0.000556497    0.000395529   -0.000010001
     40        1           0.000096230    0.000050766    0.000265579
     41        1           0.000037866    0.000078941   -0.000389238
     42        1          -0.000049060    0.000336309    0.000370365
     43        1          -0.000243306    0.000633449   -0.000200214
     44        1           0.000053828   -0.000438510    0.000264555
     45        1           0.000427586   -0.000372436   -0.000076179
     46        1          -0.000225867   -0.000008489    0.000687442
     47        1           0.000464890    0.000043959    0.000041835
     48        1          -0.000269271   -0.000054401   -0.000230988
     49        1          -0.000164124    0.000045540   -0.000586688
     50        1           0.000165683    0.000009505   -0.000099161
     51        1          -0.000260666   -0.000125784   -0.000201249
     52        1          -0.000051904   -0.000078921   -0.000031834
     53        1          -0.000041420    0.000013011   -0.000015838
     54        1          -0.000164525   -0.000220900    0.000039166
     55        1          -0.000094360    0.000019518    0.000061721
     56        1          -0.000079815    0.000000298    0.000169006
     57        1          -0.000269891   -0.000206200   -0.000245796
     58        1          -0.000200501    0.000128180   -0.000143053
     59        1          -0.000271660    0.000091224   -0.000159491
     60        8          -0.002178829    0.008525301   -0.000958293
     61        1          -0.002118485   -0.002197491    0.000492047
     62        1          -0.002964504   -0.003483729   -0.001169294
     63        6          -0.001758517   -0.001800158   -0.000211961
     64        8           0.001807377   -0.000728370   -0.000192297
     65        7           0.000233458    0.001013926    0.000225513
     66        6           0.001862926   -0.001451280   -0.000264453
     67        6          -0.003639894    0.001375558    0.001694240
     68        8           0.003104090   -0.000853851   -0.002049257
     69        7           0.000858298   -0.000151651   -0.000341576
     70        1          -0.000052464   -0.000150354   -0.000509115
     71        1           0.000053585    0.000133416    0.000334248
     72        1          -0.000224622    0.000368704   -0.000551562
     73        1          -0.000329454    0.000219244    0.000012197
     74        6           0.000846397   -0.000271967    0.000952513
     75        1          -0.000235407    0.000078166   -0.000039689
     76        1          -0.000000915   -0.000052568   -0.000149625
     77        1           0.000234175    0.000228061   -0.000007694
     78        6           0.000054173   -0.000027318    0.000395139
     79        1           0.000027266   -0.000205655   -0.000448329
     80        1           0.000014955    0.000031412    0.000088383
     81        1          -0.000342937    0.000331663   -0.000066529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008525301 RMS     0.001332232

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.004910224 RMS     0.000742248
 Search for a local minimum.
 Step number  20 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   19   20
 DE= -1.55D-03 DEPred=-1.42D-03 R= 1.09D+00
 TightC=F SS=  1.41D+00  RLast= 1.08D+00 DXNew= 5.0454D+00 3.2477D+00
 Trust test= 1.09D+00 RLast= 1.08D+00 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00134   0.00208   0.00230   0.00231   0.00232
     Eigenvalues ---    0.00245   0.00368   0.00437   0.00528   0.00532
     Eigenvalues ---    0.00574   0.00655   0.00708   0.00725   0.00747
     Eigenvalues ---    0.00769   0.00824   0.00884   0.00976   0.01166
     Eigenvalues ---    0.01220   0.01296   0.01365   0.01409   0.01445
     Eigenvalues ---    0.01463   0.01529   0.01585   0.01645   0.01710
     Eigenvalues ---    0.01826   0.01841   0.01868   0.01880   0.01893
     Eigenvalues ---    0.01944   0.01981   0.02043   0.02125   0.02172
     Eigenvalues ---    0.02233   0.02263   0.02311   0.02326   0.02412
     Eigenvalues ---    0.02634   0.02967   0.03260   0.03585   0.03782
     Eigenvalues ---    0.03911   0.04016   0.04089   0.04233   0.04461
     Eigenvalues ---    0.04597   0.04646   0.04942   0.05314   0.05355
     Eigenvalues ---    0.05381   0.05398   0.05407   0.05417   0.05451
     Eigenvalues ---    0.05460   0.05507   0.05526   0.05532   0.05565
     Eigenvalues ---    0.05863   0.05992   0.06900   0.06964   0.07412
     Eigenvalues ---    0.07477   0.07489   0.07595   0.07810   0.08190
     Eigenvalues ---    0.08324   0.09081   0.09289   0.09447   0.09476
     Eigenvalues ---    0.09699   0.09901   0.09960   0.10381   0.11012
     Eigenvalues ---    0.11578   0.12319   0.12822   0.12910   0.12963
     Eigenvalues ---    0.13126   0.13623   0.14394   0.15295   0.15577
     Eigenvalues ---    0.15778   0.15919   0.15966   0.15971   0.15982
     Eigenvalues ---    0.15987   0.15992   0.15995   0.15997   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16004   0.16009   0.16010
     Eigenvalues ---    0.16015   0.16021   0.16047   0.16064   0.16099
     Eigenvalues ---    0.16133   0.16196   0.16258   0.16829   0.17346
     Eigenvalues ---    0.17736   0.18308   0.20457   0.20807   0.21119
     Eigenvalues ---    0.21433   0.22082   0.22161   0.22295   0.22387
     Eigenvalues ---    0.22810   0.22938   0.23096   0.23391   0.23737
     Eigenvalues ---    0.23843   0.24285   0.24395   0.24714   0.24931
     Eigenvalues ---    0.25016   0.25235   0.26391   0.27281   0.27705
     Eigenvalues ---    0.28041   0.28187   0.28306   0.29184   0.30346
     Eigenvalues ---    0.30526   0.30743   0.31497   0.31505   0.31735
     Eigenvalues ---    0.33553   0.33609   0.33619   0.33649   0.33662
     Eigenvalues ---    0.33753   0.33800   0.33828   0.33848   0.33915
     Eigenvalues ---    0.33932   0.33939   0.33984   0.33985   0.33994
     Eigenvalues ---    0.34028   0.34042   0.34045   0.34079   0.34085
     Eigenvalues ---    0.34127   0.34143   0.34174   0.34176   0.34186
     Eigenvalues ---    0.34241   0.34299   0.34319   0.34615   0.35488
     Eigenvalues ---    0.35592   0.35755   0.36016   0.36234   0.36334
     Eigenvalues ---    0.36443   0.36489   0.38695   0.39010   0.39399
     Eigenvalues ---    0.42264   0.42561   0.42633   0.42726   0.45268
     Eigenvalues ---    0.45287   0.45394   0.45474   0.45577   0.45591
     Eigenvalues ---    0.45621   0.45719   0.48323   0.48895   0.49119
     Eigenvalues ---    0.49582   0.49843   0.50870   0.52545   0.54538
     Eigenvalues ---    0.54877   0.55193   0.57364   0.67792   0.73153
     Eigenvalues ---    0.761931000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    20   19   18
 RFO step:  Lambda=-4.42434206D-04.
 DidBck=T Rises=F RFO-DIIS coefs:    0.73630    1.24066   -0.97696
 Iteration  1 RMS(Cart)=  0.06721056 RMS(Int)=  0.00149392
 Iteration  2 RMS(Cart)=  0.00251574 RMS(Int)=  0.00049833
 New curvilinear step failed, DQL= 5.39D-05 SP=-3.23D-02.
 ITry= 1 IFail=1 DXMaxC= 3.42D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05950898 RMS(Int)=  0.00122439
 Iteration  2 RMS(Cart)=  0.00199645 RMS(Int)=  0.00050770
 New curvilinear step failed, DQL= 4.00D-05 SP=-3.27D-02.
 ITry= 2 IFail=1 DXMaxC= 3.03D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05183618 RMS(Int)=  0.00099896
 Iteration  2 RMS(Cart)=  0.00153953 RMS(Int)=  0.00051750
 New curvilinear step failed, DQL= 2.96D-05 SP=-3.23D-02.
 ITry= 3 IFail=1 DXMaxC= 2.63D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04420870 RMS(Int)=  0.00082098
 Iteration  2 RMS(Cart)=  0.00114547 RMS(Int)=  0.00052708
 New curvilinear step failed, DQL= 2.14D-05 SP=-3.27D-02.
 ITry= 4 IFail=1 DXMaxC= 2.24D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03665326 RMS(Int)=  0.00069296
 Iteration  2 RMS(Cart)=  0.00081407 RMS(Int)=  0.00053591
 New curvilinear step failed, DQL= 1.47D-05 SP=-3.30D-02.
 ITry= 5 IFail=1 DXMaxC= 1.84D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02922745 RMS(Int)=  0.00061344
 Iteration  2 RMS(Cart)=  0.00054505 RMS(Int)=  0.00054360
 New curvilinear step failed, DQL= 9.31D-06 SP=-3.57D-02.
 ITry= 6 IFail=1 DXMaxC= 1.44D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02206022 RMS(Int)=  0.00057389
 Iteration  2 RMS(Cart)=  0.00033719 RMS(Int)=  0.00054982
 New curvilinear step failed, DQL= 5.12D-06 SP=-4.25D-02.
 ITry= 7 IFail=1 DXMaxC= 1.04D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01551554 RMS(Int)=  0.00056011
 Iteration  2 RMS(Cart)=  0.00019176 RMS(Int)=  0.00055435
 New curvilinear step failed, DQL= 1.70D-05 SP=-8.03D-03.
 ITry= 8 IFail=1 DXMaxC= 6.79D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01077038 RMS(Int)=  0.00055783
 Iteration  2 RMS(Cart)=  0.00009165 RMS(Int)=  0.00055695
 New curvilinear step failed, DQL= 2.07D-04 SP=-1.52D-04.
 ITry= 9 IFail=1 DXMaxC= 4.91D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01064498 RMS(Int)=  0.00055829
 Iteration  2 RMS(Cart)=  0.00007977 RMS(Int)=  0.00055766
 New curvilinear step failed, DQL= 2.26D-04 SP=-7.46D-05.
 ITry=10 IFail=1 DXMaxC= 4.72D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.01344258 RMS(Int)=  0.01800502 XScale=  5.01356753
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.01343831 RMS(Int)=  0.01354360 XScale=  2.51193147
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.01342249 RMS(Int)=  0.00910193 XScale=  1.67695340
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.01338701 RMS(Int)=  0.00468145 XScale=  1.25811468
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.01330723 RMS(Int)=  0.00069958 XScale=  1.00414564
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00089148 RMS(Int)=  0.00047420 XScale=  0.99971309
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00001228 RMS(Int)=  0.00047380 XScale=  0.99981759
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00001234 RMS(Int)=  0.00047348 XScale=  0.99992274
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00001242 RMS(Int)=  0.00047324 XScale=  1.00002864
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.00001255 RMS(Int)=  0.00047307 XScale=  1.00013550
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.00001284 RMS(Int)=  0.00047299 XScale=  1.00024370
 RedQX1 iteration     2 Try  6 RMS(Cart)=  0.00000105 RMS(Int)=  0.00047299 XScale=  1.00024382
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00005183 RMS(Int)=  0.00007101 XScale=  5.13846270
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00005180 RMS(Int)=  0.00005493 XScale=  2.56941990
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00005178 RMS(Int)=  0.00003965 XScale=  1.71308603
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00005173 RMS(Int)=  0.00002655 XScale=  1.28493441
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00005166 RMS(Int)=  0.00002041 XScale=  1.02806637
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000081 RMS(Int)=  0.00002041 XScale=  1.02812467
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48438  -0.00128   0.00004   0.00000   0.00008   8.48446
    Y1       -0.92757  -0.00406  -0.00002   0.00000  -0.00003  -0.92760
    Z1        7.47490   0.00173   0.00003   0.00000   0.00006   7.47496
    X8       10.19814  -0.00013  -0.00003   0.00000  -0.00005  10.19809
    Y8        1.20611   0.00298   0.00004   0.00000   0.00007   1.20618
    Z8        0.50977  -0.00204  -0.00003   0.00000  -0.00005   0.50971
   X14        7.21036   0.00040   0.00001   0.00000   0.00002   7.21037
   Y14       -7.64133  -0.00096  -0.00002   0.00000  -0.00004  -7.64137
   Z14       -3.84252   0.00100   0.00002   0.00000   0.00002  -3.84250
   X21       -6.13871  -0.00041  -0.00002   0.00000  -0.00005  -6.13875
   Y21       -9.38868   0.00040   0.00000   0.00000   0.00000  -9.38868
   Z21        4.09472   0.00034  -0.00001   0.00000  -0.00003   4.09469
    R1        2.93130   0.00092  -0.00382  -0.00217  -0.00512   2.92618
    R2        2.07051   0.00035  -0.00061  -0.00005  -0.00065   2.06986
    R3        2.06209   0.00311  -0.00439   0.00141  -0.00298   2.05911
    R4        2.06138   0.00491  -0.00624   0.00349  -0.00274   2.05863
    R5        2.83846   0.00143  -0.00221  -0.00015  -0.00201   2.83644
    R6        2.05563   0.00469  -0.00636   0.00135  -0.00501   2.05062
    R7        2.06704   0.00426  -0.00606   0.00236  -0.00370   2.06334
    R8        2.62454  -0.00154   0.00024  -0.00172  -0.00057   2.62397
    R9        2.64962   0.00166  -0.00087   0.00022  -0.00112   2.64850
   R10        2.66360  -0.00127   0.00050  -0.00132  -0.00018   2.66342
   R11        2.03202   0.00135  -0.00002   0.00207   0.00206   2.03407
   R12        2.59267   0.00182  -0.00125   0.00048  -0.00124   2.59143
   R13        1.91193   0.00006  -0.00016  -0.00020  -0.00037   1.91156
   R14        2.53428  -0.00029   0.00028   0.00136   0.00180   2.53608
   R15        2.03533   0.00036  -0.00032   0.00023  -0.00008   2.03525
   R16        4.22803   0.00062  -0.00915   0.02601   0.01751   4.24553
   R17        2.90888   0.00307  -0.00258   0.00359  -0.00014   2.90874
   R18        2.07361  -0.00031   0.00034  -0.00060  -0.00026   2.07335
   R19        2.07543   0.00024  -0.00068  -0.00051  -0.00119   2.07424
   R20        2.07774  -0.00066   0.00104  -0.00092   0.00011   2.07785
   R21        2.92736   0.00121  -0.00089   0.00137  -0.00065   2.92671
   R22        2.07632   0.00016  -0.00015   0.00034   0.00019   2.07651
   R23        2.07257   0.00028  -0.00037   0.00074   0.00037   2.07295
   R24        2.87829  -0.00035   0.00045   0.00123   0.00182   2.88011
   R25        2.06853   0.00050  -0.00045   0.00050   0.00005   2.06858
   R26        2.07560   0.00039  -0.00036   0.00041   0.00005   2.07565
   R27        2.40224   0.00156  -0.00032  -0.00023  -0.00047   2.40178
   R28        2.53458   0.00259  -0.00140  -0.00588  -0.00790   2.52668
   R29        3.93214   0.00124  -0.00189   0.07490   0.07367   4.00582
   R30        2.41433   0.00183   0.00126   0.02170   0.02297   2.43730
   R31        2.92311  -0.00014   0.00015  -0.00151  -0.00123   2.92188
   R32        2.07235  -0.00048   0.00042  -0.00052  -0.00010   2.07225
   R33        2.06957   0.00057  -0.00065   0.00067   0.00002   2.06959
   R34        2.07098   0.00068  -0.00074   0.00041  -0.00033   2.07065
   R35        2.84929  -0.00010   0.00012  -0.00080  -0.00026   2.84902
   R36        2.07795  -0.00002  -0.00007   0.00050   0.00043   2.07838
   R37        2.07888   0.00001   0.00001   0.00044   0.00045   2.07933
   R38        2.62234  -0.00011  -0.00016  -0.00016  -0.00042   2.62192
   R39        2.65303   0.00009  -0.00015   0.00039   0.00038   2.65341
   R40        2.65087   0.00048  -0.00022  -0.00007  -0.00004   2.65082
   R41        2.03733  -0.00056   0.00027   0.00053   0.00081   2.03814
   R42        2.59937  -0.00079   0.00046  -0.00021   0.00049   2.59987
   R43        1.91270   0.00006  -0.00010   0.00007  -0.00003   1.91267
   R44        2.53114   0.00015  -0.00011  -0.00046  -0.00054   2.53059
   R45        2.03573   0.00026  -0.00040  -0.00026  -0.00066   2.03507
   R46        4.07677   0.00041  -0.00074  -0.01434  -0.01477   4.06201
   R47        2.91448   0.00069  -0.00048  -0.00015  -0.00089   2.91359
   R48        2.07241   0.00004   0.00002  -0.00024  -0.00022   2.07219
   R49        2.07271  -0.00004   0.00012   0.00024   0.00036   2.07307
   R50        2.06968   0.00027  -0.00035  -0.00011  -0.00047   2.06921
   R51        2.84234   0.00051  -0.00073  -0.00035  -0.00096   2.84138
   R52        2.07874   0.00008  -0.00004   0.00062   0.00058   2.07931
   R53        2.07909   0.00000  -0.00010  -0.00022  -0.00032   2.07878
   R54        2.62341  -0.00067  -0.00022  -0.00070  -0.00052   2.62289
   R55        2.65380   0.00059  -0.00018   0.00002  -0.00032   2.65348
   R56        2.64649   0.00024  -0.00015  -0.00131  -0.00119   2.64530
   R57        2.03472   0.00010  -0.00003   0.00029   0.00026   2.03498
   R58        2.60135  -0.00016   0.00004   0.00063   0.00044   2.60180
   R59        1.91267   0.00009  -0.00008  -0.00001  -0.00009   1.91258
   R60        2.52607   0.00075  -0.00040   0.00049   0.00011   2.52618
   R61        2.03736   0.00010  -0.00004  -0.00006  -0.00009   2.03727
   R62        4.02889  -0.00045   0.00253   0.00795   0.01075   4.03965
   R63        3.78958  -0.00121   0.00047   0.01603   0.01727   3.80685
   R64        4.22305  -0.00049  -0.00018  -0.02200  -0.02206   4.20099
   R65        4.78127  -0.00163   0.00270  -0.05997  -0.05718   4.72409
   R66        1.86125   0.00003  -0.00042  -0.00246  -0.00249   1.85877
   R67        2.18577  -0.00289   0.00037  -0.00956  -0.00898   2.17679
   R68        2.39923   0.00044  -0.00039  -0.00017  -0.00056   2.39867
   R69        2.57017   0.00145  -0.00073  -0.00048  -0.00140   2.56877
   R70        2.86710   0.00021  -0.00025   0.00042   0.00018   2.86727
   R71        2.76478   0.00089  -0.00060  -0.00044  -0.00124   2.76353
   R72        1.91296   0.00051  -0.00049   0.00028  -0.00020   1.91276
   R73        2.90737   0.00071  -0.00048  -0.00075  -0.00131   2.90606
   R74        2.07426   0.00026  -0.00015   0.00103   0.00088   2.07514
   R75        2.06796   0.00001  -0.00014   0.00040   0.00026   2.06823
   R76        2.41294  -0.00118   0.00028   0.00134   0.00177   2.41471
   R77        2.55314   0.00107  -0.00025  -0.00251  -0.00276   2.55038
   R78        1.91994  -0.00007  -0.00005  -0.00163  -0.00169   1.91826
   R79        2.77737   0.00098  -0.00099  -0.00009  -0.00108   2.77629
   R80        2.06944   0.00005  -0.00010   0.00030   0.00020   2.06964
   R81        2.06288  -0.00005   0.00001  -0.00021  -0.00021   2.06267
   R82        2.06928   0.00012  -0.00017  -0.00032  -0.00049   2.06879
   R83        2.07033   0.00049  -0.00051   0.00029  -0.00022   2.07011
   R84        2.06845   0.00003  -0.00016  -0.00007  -0.00022   2.06822
   R85        2.06726   0.00047  -0.00059   0.00019  -0.00040   2.06685
    A1        1.92532  -0.00043   0.00053  -0.00109  -0.00057   1.92475
    A2        1.92791   0.00072  -0.00160   0.00407   0.00247   1.93038
    A3        1.95089   0.00008   0.00009   0.00216   0.00225   1.95314
    A4        1.88851  -0.00011   0.00037  -0.00205  -0.00169   1.88683
    A5        1.88117  -0.00004   0.00048  -0.00371  -0.00323   1.87793
    A6        1.88814  -0.00024   0.00018   0.00034   0.00052   1.88866
    A7        1.98820   0.00008  -0.00055  -0.00194  -0.00254   1.98566
    A8        1.90664  -0.00059   0.00167  -0.00381  -0.00202   1.90462
    A9        1.90529   0.00053  -0.00133   0.00450   0.00304   1.90833
   A10        1.87748   0.00034  -0.00036  -0.00386  -0.00422   1.87326
   A11        1.92390  -0.00038   0.00060   0.00449   0.00511   1.92901
   A12        1.85762   0.00001   0.00005   0.00055   0.00061   1.85823
   A13        2.30022   0.00005  -0.00071  -0.00481  -0.00452   2.29570
   A14        2.15386   0.00009   0.00037   0.00361   0.00280   2.15666
   A15        1.82901  -0.00014   0.00050   0.00106   0.00133   1.83034
   A16        1.92101   0.00043  -0.00083  -0.00062  -0.00167   1.91935
   A17        2.23405   0.00017   0.00035  -0.00586  -0.00542   2.22863
   A18        2.12812  -0.00059   0.00041   0.00645   0.00695   2.13506
   A19        1.89588  -0.00022   0.00028   0.00027   0.00057   1.89645
   A20        2.19605  -0.00026   0.00032   0.00221   0.00252   2.19857
   A21        2.19121   0.00048  -0.00060  -0.00243  -0.00305   2.18816
   A22        1.93064  -0.00142   0.00007  -0.00214  -0.00148   1.92916
   A23        2.15643   0.00101  -0.00075  -0.00011  -0.00117   2.15526
   A24        2.19580   0.00043   0.00079   0.00209   0.00256   2.19836
   A25        1.84797   0.00137   0.00006   0.00195   0.00131   1.84928
   A26        2.16348   0.00140  -0.00442   0.03081   0.02815   2.19162
   A27        2.26964  -0.00274   0.00552  -0.02993  -0.02749   2.24215
   A28        1.93536   0.00035   0.00045   0.00269   0.00313   1.93849
   A29        1.94018  -0.00057   0.00060  -0.00345  -0.00286   1.93732
   A30        1.93026   0.00033  -0.00036   0.00092   0.00055   1.93081
   A31        1.89428  -0.00002   0.00003   0.00047   0.00049   1.89477
   A32        1.88140  -0.00019  -0.00026   0.00122   0.00096   1.88236
   A33        1.88035   0.00009  -0.00048  -0.00185  -0.00233   1.87802
   A34        1.97323   0.00105  -0.00109   0.00443   0.00186   1.97509
   A35        1.91975  -0.00061   0.00121  -0.00006   0.00150   1.92125
   A36        1.90529   0.00007  -0.00049  -0.00050  -0.00050   1.90479
   A37        1.89662  -0.00022   0.00048  -0.00035   0.00058   1.89720
   A38        1.89361  -0.00051  -0.00032  -0.00257  -0.00246   1.89115
   A39        1.87251   0.00019   0.00028  -0.00126  -0.00120   1.87132
   A40        1.93705  -0.00082   0.00001  -0.00097  -0.00042   1.93663
   A41        1.94237   0.00018  -0.00024   0.00162   0.00114   1.94351
   A42        1.89648   0.00064  -0.00139   0.00081  -0.00065   1.89584
   A43        1.90061   0.00034   0.00048   0.00144   0.00181   1.90242
   A44        1.89701  -0.00006   0.00072  -0.00230  -0.00182   1.89519
   A45        1.88920  -0.00027   0.00048  -0.00071  -0.00016   1.88905
   A46        2.12404  -0.00233   0.00131  -0.00858  -0.00641   2.11763
   A47        2.03108   0.00171   0.00025   0.00445   0.00451   2.03560
   A48        2.12625   0.00062  -0.00121   0.00420   0.00230   2.12855
   A49        1.80166  -0.00081   0.00151  -0.00200  -0.00042   1.80123
   A50        1.84362  -0.00073  -0.00011  -0.00002  -0.00040   1.84321
   A51        1.93652   0.00035  -0.00073   0.00023  -0.00050   1.93602
   A52        1.92206   0.00008  -0.00018  -0.00111  -0.00129   1.92076
   A53        1.94405  -0.00042   0.00092   0.00071   0.00163   1.94568
   A54        1.89318  -0.00014   0.00026  -0.00011   0.00014   1.89332
   A55        1.88622   0.00005  -0.00011   0.00059   0.00048   1.88670
   A56        1.88001   0.00009  -0.00015  -0.00031  -0.00046   1.87955
   A57        1.97661  -0.00043   0.00030  -0.00168  -0.00060   1.97601
   A58        1.90674  -0.00013   0.00031  -0.00067  -0.00035   1.90639
   A59        1.90223   0.00026  -0.00045   0.00175   0.00084   1.90307
   A60        1.90273   0.00043  -0.00088  -0.00152  -0.00265   1.90008
   A61        1.91656  -0.00005   0.00086   0.00246   0.00308   1.91964
   A62        1.85502  -0.00007  -0.00016  -0.00026  -0.00032   1.85471
   A63        2.30976   0.00060   0.00012   0.00160   0.00173   2.31149
   A64        2.14853  -0.00077   0.00045  -0.00218  -0.00158   2.14695
   A65        1.82489   0.00018  -0.00055   0.00057  -0.00025   1.82464
   A66        1.91964  -0.00027   0.00035  -0.00088  -0.00020   1.91945
   A67        2.24650   0.00009   0.00039  -0.00091  -0.00068   2.24582
   A68        2.11623   0.00019  -0.00077   0.00169   0.00076   2.11699
   A69        1.90209   0.00002   0.00068  -0.00022   0.00057   1.90266
   A70        2.18780  -0.00012  -0.00026   0.00111   0.00078   2.18858
   A71        2.19260   0.00012  -0.00040  -0.00070  -0.00115   2.19145
   A72        1.91534   0.00024  -0.00075  -0.00025  -0.00100   1.91434
   A73        2.18483  -0.00032   0.00091  -0.00001   0.00092   2.18574
   A74        2.18262   0.00007  -0.00025   0.00025   0.00000   2.18262
   A75        1.86264  -0.00015   0.00030   0.00091   0.00098   1.86361
   A76        2.19259  -0.00018   0.00050  -0.00339  -0.00309   2.18950
   A77        2.18886   0.00037  -0.00046   0.00708   0.00694   2.19581
   A78        1.94055   0.00004   0.00025   0.00051   0.00075   1.94130
   A79        1.94212  -0.00001   0.00017  -0.00026  -0.00009   1.94203
   A80        1.92605  -0.00003   0.00010   0.00048   0.00058   1.92663
   A81        1.88916   0.00002  -0.00031  -0.00003  -0.00034   1.88882
   A82        1.87860  -0.00005  -0.00006   0.00080   0.00074   1.87934
   A83        1.88516   0.00004  -0.00017  -0.00153  -0.00170   1.88346
   A84        1.95783   0.00027  -0.00031  -0.00236  -0.00218   1.95565
   A85        1.90914   0.00013   0.00012  -0.00205  -0.00193   1.90720
   A86        1.90594  -0.00023   0.00037   0.00359   0.00367   1.90962
   A87        1.91526  -0.00012   0.00000  -0.00137  -0.00153   1.91373
   A88        1.91532  -0.00002  -0.00024   0.00210   0.00171   1.91703
   A89        1.85762  -0.00005   0.00009   0.00024   0.00040   1.85803
   A90        2.30283  -0.00049   0.00020  -0.00071   0.00011   2.30294
   A91        2.15300   0.00030  -0.00013   0.00068  -0.00009   2.15291
   A92        1.82732   0.00018  -0.00007   0.00008   0.00001   1.82734
   A93        1.91573   0.00004  -0.00004   0.00031   0.00011   1.91583
   A94        2.25233  -0.00020   0.00011  -0.00065  -0.00047   2.25187
   A95        2.11513   0.00016  -0.00008   0.00035   0.00035   2.11548
   A96        1.89932   0.00000   0.00013  -0.00009   0.00002   1.89934
   A97        2.19003   0.00012  -0.00001  -0.00035  -0.00052   2.18951
   A98        2.19380  -0.00011   0.00004   0.00029   0.00016   2.19396
   A99        1.91438  -0.00023  -0.00021  -0.00073  -0.00070   1.91368
   A100       2.19099   0.00002   0.00019   0.00005   0.00008   2.19107
   A101       2.17742   0.00021  -0.00003   0.00054   0.00034   2.17776
   A102       1.86802   0.00001   0.00021   0.00045   0.00048   1.86850
   A103       2.20631   0.00086  -0.00039   0.01319   0.01402   2.22033
   A104       2.20009  -0.00082   0.00017  -0.01256  -0.01356   2.18652
   A105       1.76668  -0.00083   0.00312  -0.00612  -0.00395   1.76272
   A106       1.51336  -0.00035   0.00240  -0.00254  -0.00005   1.51331
   A107       1.56186  -0.00046   0.00056  -0.00042  -0.00017   1.56169
   A108       2.92964   0.00124  -0.00232   0.00907   0.00667   2.93631
   A109       1.58696   0.00045  -0.00376   0.00457   0.00122   1.58819
   A110       1.66886   0.00003   0.00020   0.00335   0.00246   1.67132
   A111       1.57725   0.00142  -0.00336   0.01414   0.01147   1.58872
   A112       1.57382  -0.00039   0.00112  -0.00657  -0.00485   1.56897
   A113       2.92947   0.00038   0.00067   0.00135   0.00236   2.93183
   A114       3.02697  -0.00158   0.00445  -0.01602  -0.01208   3.01490
   A115       1.53627   0.00076  -0.00086  -0.00507  -0.00382   1.53245
   A116       1.48872   0.00010  -0.00050   0.00498   0.00560   1.49432
   A117       1.65229  -0.00011  -0.00220   0.00590   0.00228   1.65457
   A118       1.56060  -0.00142   0.00271  -0.02217  -0.01986   1.54074
   A119       1.35673   0.00077  -0.00047   0.00889   0.00833   1.36506
   A120       2.17174  -0.00143   0.00541  -0.02885  -0.02320   2.14854
   A121       2.34441  -0.00012  -0.00467   0.01082   0.00609   2.35050
   A122       1.73368   0.00148   0.00004   0.01008   0.00844   1.74212
   A123       2.13681  -0.00034  -0.00067  -0.02531  -0.02579   2.11103
   A124       2.87505   0.00005  -0.00077   0.01338   0.01485   2.88990
   A125       2.13862  -0.00105   0.00041  -0.00374  -0.00344   2.13518
   A126       2.10292   0.00068  -0.00030   0.00134   0.00107   2.10399
   A127       2.04141   0.00037  -0.00019   0.00233   0.00217   2.04359
   A128       2.41302   0.00025  -0.00252  -0.00124  -0.00382   2.40920
   A129       2.15027   0.00002   0.00066  -0.00200  -0.00178   2.14850
   A130       2.06706   0.00001  -0.00024   0.00118   0.00095   2.06801
   A131       2.06530  -0.00003  -0.00026   0.00059   0.00035   2.06565
   A132       1.96682   0.00048  -0.00101   0.00308   0.00221   1.96903
   A133       1.90610  -0.00019   0.00161  -0.00015   0.00139   1.90750
   A134       1.90190  -0.00017  -0.00022  -0.00024  -0.00050   1.90140
   A135       1.83936   0.00026  -0.00079  -0.00321  -0.00411   1.83524
   A136       1.94683  -0.00044   0.00062   0.00111   0.00177   1.94860
   A137       1.90085   0.00007  -0.00015  -0.00079  -0.00092   1.89993
   A138       2.10265  -0.00018  -0.00030  -0.00055  -0.00052   2.10212
   A139       2.02003  -0.00019  -0.00003  -0.00150  -0.00174   2.01829
   A140       2.16005   0.00035   0.00029   0.00183   0.00193   2.16197
   A141       1.85133   0.00037  -0.00465   0.03185   0.02729   1.87863
   A142       2.06287  -0.00028   0.00066   0.00083   0.00125   2.06412
   A143       2.15540   0.00067  -0.00057   0.00730   0.00649   2.16189
   A144       2.02926  -0.00035  -0.00013   0.00055   0.00018   2.02943
   A145       1.91532  -0.00023   0.00041   0.00197   0.00237   1.91770
   A146       1.89985  -0.00016   0.00013  -0.00032  -0.00019   1.89965
   A147       1.91773   0.00014  -0.00104  -0.00439  -0.00543   1.91230
   A148       1.91194   0.00008   0.00028   0.00007   0.00035   1.91228
   A149       1.90935   0.00003   0.00010   0.00130   0.00140   1.91075
   A150       1.90959   0.00014   0.00013   0.00137   0.00149   1.91109
   A151       1.90365   0.00002   0.00039  -0.00128  -0.00089   1.90276
   A152       1.90560  -0.00012   0.00008   0.00001   0.00009   1.90569
   A153       1.97568   0.00013  -0.00032   0.00081   0.00049   1.97617
   A154       1.87534   0.00006  -0.00015  -0.00024  -0.00039   1.87496
   A155       1.89451  -0.00005  -0.00019  -0.00009  -0.00028   1.89423
   A156       1.90644  -0.00004   0.00020   0.00073   0.00092   1.90736
    D1        3.13122   0.00012   0.00031  -0.00943  -0.00906   3.12216
    D2        1.03152   0.00006  -0.00007  -0.00047  -0.00057   1.03094
    D3       -0.99327   0.00008  -0.00031  -0.00152  -0.00187  -0.99514
    D4        1.04413   0.00008   0.00054  -0.00877  -0.00817   1.03596
    D5       -1.05558   0.00001   0.00015   0.00019   0.00031  -1.05526
    D6       -3.08036   0.00004  -0.00009  -0.00086  -0.00098  -3.08135
    D7       -1.05921  -0.00016   0.00132  -0.01343  -0.01204  -1.07125
    D8        3.12427  -0.00023   0.00094  -0.00447  -0.00355   3.12072
    D9        1.09948  -0.00020   0.00070  -0.00551  -0.00485   1.09463
   D10       -1.97914   0.00069  -0.00492  -0.02722  -0.03232  -2.01147
   D11        1.14570   0.00066  -0.01425  -0.03961  -0.05426   1.09144
   D12        0.13687   0.00024  -0.00347  -0.03603  -0.03945   0.09741
   D13       -3.02148   0.00020  -0.01280  -0.04842  -0.06139  -3.08287
   D14        2.15546   0.00024  -0.00325  -0.03518  -0.03841   2.11705
   D15       -1.00289   0.00020  -0.01259  -0.04756  -0.06035  -1.06323
   D16        3.11012   0.00089   0.00127   0.01515   0.01603   3.12614
   D17       -0.03485   0.00040  -0.00544   0.00622   0.00117  -0.03367
   D18       -0.01701   0.00092   0.00941   0.02582   0.03492   0.01791
   D19        3.12121   0.00043   0.00271   0.01689   0.02007   3.14127
   D20       -3.12308  -0.00058   0.00260  -0.00966  -0.00648  -3.12957
   D21        0.00986  -0.00020   0.00266  -0.00345  -0.00037   0.00948
   D22        0.00559  -0.00060  -0.00444  -0.01928  -0.02353  -0.01794
   D23        3.13853  -0.00023  -0.00437  -0.01306  -0.01742   3.12111
   D24        0.02221  -0.00088  -0.01094  -0.02282  -0.03346  -0.01125
   D25        3.10032  -0.00044  -0.00646   0.01850   0.01373   3.11405
   D26       -3.11625  -0.00042  -0.00479  -0.01450  -0.01952  -3.13578
   D27       -0.03814   0.00001  -0.00031   0.02682   0.02767  -0.01048
   D28        0.00837   0.00005  -0.00231   0.00575   0.00340   0.01177
   D29        3.12438   0.00037   0.00077  -0.00059   0.00026   3.12464
   D30       -3.12460  -0.00032  -0.00237  -0.00047  -0.00269  -3.12729
   D31       -0.00859   0.00000   0.00071  -0.00682  -0.00584  -0.01443
   D32       -0.01847   0.00051   0.00798   0.01019   0.01803  -0.00044
   D33       -3.09127  -0.00019   0.00334  -0.03776  -0.03383  -3.12511
   D34       -3.13377   0.00017   0.00478   0.01675   0.02134  -3.11243
   D35        0.07661  -0.00053   0.00013  -0.03120  -0.03053   0.04609
   D36        1.77890   0.00015  -0.01351   0.04620   0.03277   1.81167
   D37       -2.84481   0.00014  -0.01317   0.04937   0.03543  -2.80938
   D38        0.20329  -0.00122  -0.01007   0.03182   0.02109   0.22438
   D39       -1.72024  -0.00052   0.01041  -0.01129  -0.00173  -1.72197
   D40       -1.35716   0.00021  -0.01302   0.05404   0.04096  -1.31620
   D41       -1.44249   0.00092  -0.00818   0.10023   0.09255  -1.34993
   D42        0.21700   0.00091  -0.00784   0.10340   0.09521   0.31221
   D43       -3.01809  -0.00045  -0.00474   0.08585   0.08087  -2.93722
   D44        1.34156   0.00024   0.01574   0.04274   0.05805   1.39961
   D45        1.70464   0.00098  -0.00768   0.10807   0.10074   1.80538
   D46        1.09331  -0.00012  -0.00286  -0.02497  -0.02779   1.06551
   D47       -3.06628  -0.00012  -0.00212  -0.02242  -0.02467  -3.09095
   D48       -1.01611  -0.00020  -0.00137  -0.02428  -0.02555  -1.04165
   D49       -1.01568   0.00006  -0.00358  -0.02507  -0.02861  -1.04429
   D50        1.10791   0.00005  -0.00283  -0.02251  -0.02548   1.08243
   D51       -3.12509  -0.00003  -0.00209  -0.02437  -0.02636   3.13173
   D52       -3.10369   0.00009  -0.00313  -0.02110  -0.02419  -3.12788
   D53       -0.98010   0.00009  -0.00239  -0.01854  -0.02106  -1.00116
   D54        1.07008   0.00001  -0.00164  -0.02040  -0.02194   1.04814
   D55       -1.01037  -0.00034   0.00257  -0.01912  -0.01670  -1.02707
   D56        1.10931  -0.00035   0.00301  -0.01684  -0.01389   1.09542
   D57       -3.09531  -0.00017   0.00256  -0.01622  -0.01381  -3.10912
   D58        3.13626  -0.00011   0.00142  -0.02175  -0.02029   3.11597
   D59       -1.02724  -0.00012   0.00185  -0.01947  -0.01748  -1.04472
   D60        1.05132   0.00006   0.00140  -0.01885  -0.01739   1.03392
   D61        1.10567   0.00006   0.00099  -0.01867  -0.01785   1.08782
   D62       -3.05784   0.00005   0.00143  -0.01640  -0.01504  -3.07288
   D63       -0.97928   0.00023   0.00098  -0.01577  -0.01496  -0.99423
   D64       -0.90112  -0.00009  -0.00790   0.00168  -0.00650  -0.90762
   D65        2.17689   0.00001  -0.00203   0.00311   0.00114   2.17803
   D66       -3.04512  -0.00001  -0.00791  -0.00069  -0.00888  -3.05400
   D67        0.03289   0.00009  -0.00203   0.00074  -0.00125   0.03164
   D68        1.18351   0.00016  -0.00916   0.00064  -0.00869   1.17482
   D69       -2.02166   0.00026  -0.00328   0.00207  -0.00105  -2.02272
   D70        2.83034   0.00074   0.00196   0.00745   0.01116   2.84151
   D71       -0.24420   0.00060  -0.00429   0.00597   0.00306  -0.24114
   D72       -2.83048  -0.00082  -0.00136   0.00056  -0.00263  -2.83311
   D73        0.24745  -0.00084   0.00464   0.00148   0.00471   0.25216
   D74        0.03008   0.00049  -0.00063  -0.01452  -0.01485   0.01523
   D75        0.17507   0.00054   0.00110  -0.00633  -0.00501   0.17006
   D76       -1.03192  -0.00009   0.00080   0.00287   0.00357  -1.02835
   D77        1.09243   0.00008   0.00010  -0.00071  -0.00049   1.09194
   D78        3.11245   0.00007  -0.00017  -0.00042  -0.00060   3.11186
   D79       -3.12823  -0.00019   0.00108   0.00358   0.00456  -3.12367
   D80       -1.00389  -0.00002   0.00038   0.00001   0.00050  -1.00339
   D81        1.01614  -0.00003   0.00011   0.00030   0.00040   1.01653
   D82        1.07025  -0.00008   0.00079   0.00425   0.00494   1.07519
   D83       -3.08859   0.00009   0.00009   0.00068   0.00088  -3.08770
   D84       -1.06856   0.00008  -0.00018   0.00097   0.00078  -1.06778
   D85       -0.60085   0.00028  -0.01302   0.11188   0.09915  -0.50170
   D86        2.53986   0.00016  -0.01217   0.09316   0.08151   2.62137
   D87       -2.72744   0.00041  -0.01299   0.11496   0.10191  -2.62553
   D88        0.41327   0.00030  -0.01214   0.09624   0.08427   0.49754
   D89        1.52998   0.00028  -0.01279   0.11477   0.10208   1.63206
   D90       -1.61249   0.00017  -0.01194   0.09605   0.08444  -1.52804
   D91        3.12671   0.00050  -0.00115  -0.01271  -0.01322   3.11349
   D92        0.02841   0.00013  -0.00008  -0.01010  -0.01008   0.01834
   D93       -0.01413   0.00060  -0.00188   0.00349   0.00206  -0.01206
   D94       -3.11242   0.00023  -0.00081   0.00610   0.00520  -3.10722
   D95       -3.12317  -0.00065  -0.00126   0.00750   0.00565  -3.11752
   D96       -0.02014  -0.00010  -0.00093   0.01283   0.01168  -0.00846
   D97        0.01775  -0.00073  -0.00061  -0.00680  -0.00779   0.00996
   D98        3.12078  -0.00018  -0.00028  -0.00146  -0.00177   3.11901
   D99        0.00534  -0.00024   0.00372   0.00113   0.00450   0.00984
   D100      -2.85124  -0.00044   0.00274  -0.01660  -0.01449  -2.86573
   D101       3.10741   0.00009   0.00276  -0.00132   0.00160   3.10901
   D102       0.25084  -0.00011   0.00179  -0.01905  -0.01740   0.23344
   D103      -0.01534   0.00062   0.00300   0.00790   0.01107  -0.00427
   D104       3.09731   0.00042   0.00004   0.00782   0.00818   3.10548
   D105      -3.11824   0.00008   0.00268   0.00249   0.00498  -3.11326
   D106      -0.00559  -0.00013  -0.00028   0.00242   0.00209  -0.00350
   D107       0.00617  -0.00024  -0.00407  -0.00550  -0.00947  -0.00329
   D108       2.86352  -0.00015  -0.00293   0.01000   0.00752   2.87104
   D109      -3.10652  -0.00002  -0.00114  -0.00542  -0.00660  -3.11312
   D110      -0.24917   0.00007   0.00000   0.01007   0.01038  -0.23879
   D111      -0.37929   0.00014   0.00979  -0.02562  -0.01482  -0.39411
   D112      -1.91079   0.00058   0.00693  -0.02312  -0.01487  -1.92567
   D113       1.18368  -0.00005   0.00980  -0.02328  -0.01278   1.17089
   D114       2.83599  -0.00015   0.00764  -0.01737  -0.01054   2.82545
   D115       2.73602  -0.00020   0.00832  -0.06304  -0.05448   2.68154
   D116       3.09904   0.00001   0.00849  -0.04513  -0.03596   3.06308
   D117       1.56754   0.00044   0.00563  -0.04263  -0.03602   1.53152
   D118      -1.62117  -0.00018   0.00851  -0.04279  -0.03393  -1.65510
   D119       0.03114  -0.00028   0.00634  -0.03689  -0.03169  -0.00055
   D120      -0.06883  -0.00033   0.00702  -0.08256  -0.07562  -0.14445
   D121      -1.05489   0.00000  -0.00024   0.00102   0.00084  -1.05405
   D122       3.09889  -0.00012  -0.00011   0.00577   0.00559   3.10448
   D123       1.07235   0.00000  -0.00050   0.00461   0.00412   1.07647
   D124       1.05246   0.00004  -0.00035   0.00115   0.00086   1.05332
   D125      -1.07695  -0.00007  -0.00023   0.00591   0.00561  -1.07134
   D126      -3.10349   0.00004  -0.00061   0.00474   0.00414  -3.09935
   D127      -3.13819   0.00007  -0.00039  -0.00063  -0.00095  -3.13914
   D128       1.01559  -0.00005  -0.00026   0.00413   0.00379   1.01938
   D129      -1.01095   0.00006  -0.00065   0.00296   0.00233  -1.00862
   D130       0.28748  -0.00021   0.00579  -0.05591  -0.05033   0.23716
   D131      -2.86358  -0.00042   0.00508  -0.04737  -0.04262  -2.90621
   D132       2.41339   0.00005   0.00572  -0.06108  -0.05532   2.35807
   D133      -0.73768  -0.00016   0.00502  -0.05253  -0.04762  -0.78529
   D134      -1.83440  -0.00009   0.00569  -0.06036  -0.05472  -1.88912
   D135       1.29772  -0.00030   0.00499  -0.05181  -0.04702   1.25070
   D136       3.13144  -0.00010   0.00293   0.01793   0.02037  -3.13137
   D137      -0.00895   0.00009   0.00000   0.01498   0.01488   0.00592
   D138      -0.00197   0.00008   0.00355   0.01055   0.01372   0.01175
   D139       3.14082   0.00027   0.00062   0.00760   0.00823  -3.13414
   D140      -3.13400   0.00012  -0.00130  -0.01669  -0.01755   3.13163
   D141       0.01659  -0.00006   0.00112   0.00058   0.00182   0.01841
   D142       0.00031  -0.00005  -0.00183  -0.01013  -0.01163  -0.01132
   D143      -3.13229  -0.00022   0.00060   0.00715   0.00774  -3.12455
   D144       0.00295  -0.00009  -0.00403  -0.00716  -0.01088  -0.00793
   D145       3.00891   0.00019  -0.00489  -0.00014  -0.00473   3.00418
   D146      -3.13973  -0.00026  -0.00137  -0.00448  -0.00589   3.13756
   D147      -0.13376   0.00002  -0.00223   0.00253   0.00025  -0.13351
   D148       0.00154  -0.00001  -0.00063   0.00613   0.00537   0.00691
   D149      -3.11120  -0.00026   0.00358   0.01123   0.01449  -3.09671
   D150       3.13411   0.00017  -0.00303  -0.01119  -0.01407   3.12004
   D151       0.02138  -0.00008   0.00117  -0.00609  -0.00495   0.01642
   D152      -0.00272   0.00006   0.00280   0.00055   0.00326   0.00054
   D153      -3.00930  -0.00039   0.00417  -0.00899  -0.00545  -3.01475
   D154       3.11029   0.00030  -0.00136  -0.00451  -0.00578   3.10452
   D155       0.10371  -0.00015   0.00001  -0.01405  -0.01449   0.08922
   D156      -1.45143   0.00033  -0.00787   0.00611  -0.00157  -1.45300
   D157       0.31077  -0.00053  -0.00444  -0.00040  -0.00565   0.30513
   D158      -2.40633  -0.00077  -0.00338  -0.06177  -0.06595  -2.47228
   D159       1.88121  -0.00085  -0.00342  -0.00762  -0.01099   1.87022
   D160      -3.04320  -0.00014  -0.00378   0.00160  -0.00247  -3.04567
   D161       1.52956   0.00076  -0.00916   0.01594   0.00724   1.53680
   D162      -2.99143  -0.00010  -0.00573   0.00943   0.00317  -2.98826
   D163       0.57466  -0.00034  -0.00467  -0.05194  -0.05714   0.51752
   D164      -1.42099  -0.00042  -0.00471   0.00220  -0.00218  -1.42317
   D165      -0.06221   0.00029  -0.00507   0.01143   0.00634  -0.05587
   D166       1.91948  -0.00057   0.00713  -0.00397   0.00296   1.92244
   D167      -0.88706  -0.00047   0.00957   0.03438   0.04223  -0.84483
   D168       0.15285   0.00027   0.00393   0.00226   0.00699   0.15984
   D169      -2.65369   0.00037   0.00637   0.04061   0.04626  -2.60743
   D170       2.87211   0.00051   0.00283   0.06339   0.06700   2.93911
   D171       0.06557   0.00061   0.00527   0.10174   0.10626   0.17183
   D172      -1.42151   0.00054   0.00321   0.00766   0.01088  -1.41063
   D173       2.05513   0.00065   0.00565   0.04601   0.05015   2.10528
   D174      -2.77665  -0.00011   0.00332   0.00081   0.00437  -2.77228
   D175       0.69999  -0.00001   0.00576   0.03916   0.04364   0.74363
   D176       0.39479   0.00016  -0.01503   0.01879   0.00422   0.39901
   D177      -3.09721  -0.00056   0.00881  -0.03789  -0.02983  -3.12705
   D178       1.51716  -0.00059   0.00864  -0.04147  -0.03249   1.48468
   D179      -1.51969   0.00084   0.00562  -0.02422  -0.01872  -1.53841
   D180       0.02288  -0.00052   0.00894  -0.04751  -0.03884  -0.01596
   D181       1.85339  -0.00026  -0.00801   0.03698   0.02819   1.88158
   D182      -1.26242   0.00008  -0.00650   0.07373   0.06715  -1.19527
   D183      -2.91797  -0.00065  -0.00506   0.03416   0.02816  -2.88980
   D184       0.29170   0.00023  -0.00869   0.03782   0.02872   0.32042
   D185      -1.36473   0.00005  -0.00583   0.02718   0.02243  -1.34230
   D186      -2.76200  -0.00050   0.00497   0.03273   0.03612  -2.72588
   D187       0.13889  -0.00066   0.00365   0.00788   0.00979   0.14867
   D188       2.48347  -0.00002  -0.00653  -0.04126  -0.04616   2.43731
   D189      -0.37970   0.00041  -0.00484  -0.00364  -0.00851  -0.38820
   D190       0.77841  -0.00005  -0.00183   0.04381   0.04199   0.82040
   D191      -2.38683  -0.00002  -0.00703   0.04030   0.03337  -2.35345
   D192       0.04803  -0.00007  -0.00790  -0.00890  -0.01664   0.03139
   D193      -3.05715  -0.00013  -0.00269  -0.00099  -0.00351  -3.06066
   D194      -3.07071  -0.00010  -0.00289  -0.00549  -0.00829  -3.07900
   D195       0.10730  -0.00016   0.00232   0.00242   0.00484   0.11213
   D196      -1.12713   0.00001   0.00218   0.00477   0.00692  -1.12020
   D197       0.91739   0.00002   0.00227   0.00377   0.00601   0.92340
   D198       3.04504  -0.00003   0.00236   0.00526   0.00759   3.05262
   D199       1.99210   0.00002  -0.00273   0.00137  -0.00133   1.99077
   D200      -2.24657   0.00003  -0.00264   0.00037  -0.00225  -2.24881
   D201      -0.11892  -0.00002  -0.00255   0.00185  -0.00067  -0.11959
   D202      -1.36027  -0.00017   0.00209   0.00556   0.00781  -1.35246
   D203       0.67759   0.00031   0.00155   0.00334   0.00493   0.68252
   D204       2.75213   0.00018   0.00217   0.00215   0.00434   2.75648
   D205       1.74495  -0.00011  -0.00312  -0.00233  -0.00529   1.73966
   D206      -2.50038   0.00037  -0.00366  -0.00456  -0.00816  -2.50854
   D207      -0.42584   0.00025  -0.00304  -0.00575  -0.00875  -0.43459
   D208       0.52602   0.00080   0.00287   0.01706   0.01992   0.54594
   D209      -2.64705  -0.00003   0.00088   0.00946   0.01023  -2.63682
   D210      -1.55113   0.00061   0.00199   0.01759   0.01962  -1.53151
   D211       1.55898  -0.00023   0.00000   0.00998   0.00993   1.56891
   D212       2.67190   0.00060   0.00229   0.01987   0.02224   2.69414
   D213      -0.50117  -0.00023   0.00030   0.01226   0.01255  -0.48862
   D214       1.15172  -0.00079  -0.00144  -0.01872  -0.02049   1.13123
   D215      -1.95576   0.00013   0.00073  -0.01041  -0.00990  -1.96566
   D216      -0.18186   0.00099  -0.00205   0.05837   0.05639  -0.12547
   D217      -3.02873   0.00088  -0.00099   0.02330   0.02233  -3.00640
   D218       2.92710   0.00012  -0.00414   0.05043   0.04627   2.97337
   D219       0.08023   0.00001  -0.00308   0.01536   0.01222   0.09244
   D220      -2.42818   0.00028  -0.00511   0.05279   0.04768  -2.38049
   D221      -0.33594   0.00015  -0.00445   0.05386   0.04942  -0.28652
   D222       1.75488   0.00031  -0.00484   0.05271   0.04787   1.80275
   D223       1.00293   0.00017  -0.00421   0.01832   0.01410   1.01704
   D224       3.09517   0.00003  -0.00355   0.01940   0.01584   3.11101
   D225      -1.09719   0.00019  -0.00395   0.01824   0.01429  -1.08290
         Item               Value     Threshold  Converged?
 Maximum Force            0.004910     0.000450     NO 
 RMS     Force            0.000696     0.000300     NO 
 Maximum Displacement     0.342646     0.001800     NO 
 RMS     Displacement     0.066768     0.001200     NO 
 Predicted change in Energy=-8.530968D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.729583    2.830576    3.574051
      2          6           0       -3.173232    1.387390    3.647839
      3          6           0       -1.894267    1.192393    2.886805
      4          6           0       -1.593878    0.417793    1.774236
      5          7           0       -0.701243    1.861639    3.191882
      6          6           0        0.262902    1.468485    2.299479
      7          7           0       -0.240756    0.589540    1.419227
      8          6           0       -5.061478    1.197995    0.220914
      9          6           0       -5.856306    0.279158   -0.724203
     10          6           0       -5.378082   -1.193436   -0.686948
     11          6           0       -3.906451   -1.298595   -1.069173
     12          8           0       -3.462078   -0.773575   -2.137928
     13          8           0       -3.102117   -1.910516   -0.193769
     14          6           0       -1.963025    4.280614   -3.038125
     15          6           0       -0.547820    4.047396   -3.615631
     16          6           0        0.148325    2.851148   -3.017849
     17          6           0        0.055185    2.236924   -1.777244
     18          7           0        1.089896    2.083276   -3.721686
     19          6           0        1.517035    1.051179   -2.918491
     20          7           0        0.901634    1.119287   -1.731091
     21          6           0        5.056136    3.697403    1.296450
     22          6           0        5.407034    2.316968    1.886731
     23          6           0        4.372792    1.279165    1.548943
     24          6           0        3.330436    1.272007    0.632477
     25          7           0        4.302262    0.026047    2.178538
     26          6           0        3.242037   -0.676775    1.651686
     27          7           0        2.637500    0.058385    0.713016
     28         30           0        0.809852   -0.454604   -0.269967
     29          1           0       -4.670297    2.903717    4.130321
     30          1           0       -3.924619    3.113927    2.540141
     31          1           0       -3.037326    3.555360    4.000922
     32          1           0       -3.904780    0.702587    3.231409
     33          1           0       -3.043355    1.102983    4.693991
     34          1           0       -2.250542   -0.244189    1.236481
     35          1           0       -0.568252    2.526642    3.942432
     36          1           0        1.270392    1.849071    2.307140
     37          1           0       -3.998974    1.220113   -0.051813
     38          1           0       -5.148063    0.861039    1.261960
     39          1           0       -5.443562    2.227861    0.171874
     40          1           0       -6.924745    0.309184   -0.469264
     41          1           0       -5.757283    0.648604   -1.752316
     42          1           0       -5.521057   -1.634000    0.304871
     43          1           0       -5.969537   -1.772677   -1.408829
     44          1           0       -2.603398    3.406351   -3.205736
     45          1           0       -2.426826    5.148056   -3.519640
     46          1           0       -1.929387    4.476379   -1.960537
     47          1           0       -0.619078    3.910013   -4.704518
     48          1           0        0.057745    4.952510   -3.458144
     49          1           0       -0.579631    2.493706   -0.943992
     50          1           0        1.383049    2.246056   -4.676671
     51          1           0        2.216011    0.285503   -3.209891
     52          1           0        4.990672    3.656494    0.202615
     53          1           0        4.097534    4.063935    1.683995
     54          1           0        5.826909    4.430474    1.556249
     55          1           0        5.501933    2.402733    2.979597
     56          1           0        6.391289    1.998756    1.512470
     57          1           0        3.033313    2.039120   -0.062428
     58          1           0        4.915079   -0.295057    2.917243
     59          1           0        2.919318   -1.655290    1.968877
     60          8           0       -0.974936   -1.060205   -0.981296
     61          1           0       -1.368333   -0.711329   -1.812575
     62          1           0       -1.904443   -1.558697   -0.518249
     63          6           0        2.459868   -2.949083   -1.613347
     64          8           0        2.000276   -1.765888   -1.613642
     65          7           0        1.703250   -4.022922   -1.263781
     66          6           0        0.291629   -3.919532   -0.896025
     67          6           0        0.084984   -3.394851    0.534674
     68          8           0        0.918303   -2.574714    1.050179
     69          7           0       -1.035765   -3.818489    1.155870
     70          1           0       -0.199493   -3.182867   -1.545627
     71          1           0       -0.185717   -4.893573   -1.041710
     72          1           0        2.147353   -4.931183   -1.215233
     73          1           0       -1.712032   -4.350513    0.617319
     74          6           0       -1.495920   -3.306297    2.453683
     75          1           0       -1.827119   -4.137180    3.085680
     76          1           0       -0.669686   -2.784187    2.939636
     77          1           0       -2.327335   -2.610975    2.299520
     78          6           0        3.886878   -3.222253   -2.050620
     79          1           0        3.992512   -2.959463   -3.108830
     80          1           0        4.566367   -2.578368   -1.483572
     81          1           0        4.185594   -4.266291   -1.920219
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0960587      0.0728453      0.0665384
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4912.9913359636 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33734 LenP2D=  122293.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.38D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999916    0.012106    0.002152   -0.004145 Ang=   1.49 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97083594     A.U. after   11 cycles
            NFock= 11  Conv=0.96D-08     -V/T= 1.9786
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33734 LenP2D=  122293.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.001069956   -0.004839765   -0.000468155
      3        6           0.000921186   -0.000877959   -0.003396642
      4        6          -0.002556580   -0.000464976    0.003167797
      5        7          -0.000337310    0.000121438    0.002364934
      6        6          -0.001415017   -0.001665706   -0.003321515
      7        7           0.002337203    0.000451108    0.000722708
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000278174    0.000117619   -0.002272303
     10        6           0.000052037    0.000352486   -0.001740905
     11        6           0.002602464    0.000675862   -0.000554659
     12        8           0.001743860   -0.001879592   -0.002099990
     13        8          -0.003023875    0.000832823    0.004552748
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000783636   -0.000494978   -0.000264117
     16        6           0.000260223    0.000317071    0.001042064
     17        6           0.001769484    0.000704560    0.000350583
     18        7          -0.001086304    0.000557076   -0.000336660
     19        6           0.001485798   -0.001195285    0.000132045
     20        7          -0.000245734   -0.000530835    0.000538197
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000150145    0.000030267    0.000197568
     23        6          -0.000132421    0.000520431   -0.000929515
     24        6          -0.000030779   -0.000394864    0.000590506
     25        7           0.000695267    0.000507543    0.000705935
     26        6          -0.000088037    0.000074873    0.001037920
     27        7          -0.000922157    0.003364475   -0.001782219
     28       30           0.003943972   -0.003022023    0.004211515
     29        1           0.000428838    0.000344353    0.000408667
     30        1           0.001457907   -0.001853858   -0.003427181
     31        1          -0.002254832   -0.004336072    0.003485043
     32        1           0.003161128    0.005045586   -0.003165296
     33        1          -0.002065966    0.001965468    0.004643462
     34        1          -0.000388998    0.000249078   -0.001757773
     35        1           0.000492695    0.000485634    0.000389815
     36        1          -0.000986089    0.000613127   -0.000034369
     37        1           0.000243309    0.000123567    0.000091702
     38        1          -0.000502696    0.000620055    0.000658353
     39        1          -0.000508483    0.000354614   -0.000142761
     40        1           0.000077587   -0.000096045    0.000527920
     41        1          -0.000033688    0.000193362   -0.000380599
     42        1           0.000013673    0.000333281    0.000518859
     43        1          -0.000244553    0.000634480   -0.000169152
     44        1           0.000129802   -0.000468275    0.000158399
     45        1           0.000457081   -0.000234874   -0.000049827
     46        1          -0.000329731   -0.000114833    0.000860714
     47        1           0.000589974   -0.000016598    0.000089893
     48        1          -0.000400223    0.000099974   -0.000091470
     49        1          -0.000450630    0.000046361   -0.000913174
     50        1           0.000158032   -0.000140447   -0.000068913
     51        1          -0.000283858    0.000054219   -0.000455796
     52        1          -0.000121662   -0.000104224   -0.000110327
     53        1          -0.000065874    0.000068245   -0.000043610
     54        1          -0.000283919   -0.000321717    0.000062717
     55        1          -0.000249188    0.000039272   -0.000062238
     56        1          -0.000085609   -0.000200814    0.000069007
     57        1          -0.000188191   -0.000205351   -0.000115826
     58        1          -0.000305318    0.000183029   -0.000191052
     59        1          -0.000461085    0.000112037   -0.000377930
     60        8          -0.002197227    0.008089363   -0.000720603
     61        1          -0.001041231   -0.001983368    0.000245539
     62        1          -0.002931736   -0.003159908   -0.000726772
     63        6          -0.001448435   -0.002048806   -0.001402621
     64        8           0.001173321   -0.001315325   -0.000245702
     65        7          -0.000402864    0.001519789    0.000893077
     66        6           0.002160406   -0.001071668   -0.000645848
     67        6          -0.003330443    0.000333998    0.001820772
     68        8           0.003334779   -0.000182763   -0.002429445
     69        7           0.000068146    0.000522170   -0.000052246
     70        1          -0.000326088   -0.000089283   -0.000347030
     71        1           0.000029964    0.000150728    0.000318932
     72        1          -0.000355013    0.000439988   -0.000624043
     73        1           0.000128630    0.000053031   -0.000325013
     74        6           0.000931166   -0.000411360    0.001346559
     75        1          -0.000351724    0.000080529    0.000064498
     76        1          -0.000051024   -0.000076940   -0.000107347
     77        1           0.000380441    0.000191376   -0.000210684
     78        6           0.000354815    0.000013696    0.000503767
     79        1           0.000035101   -0.000242361   -0.000520638
     80        1          -0.000060795    0.000026128    0.000169695
     81        1          -0.000452742    0.000426932    0.000007947
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.008089363 RMS     0.001446369

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.006716094 RMS     0.000862492
 Search for a local minimum.
 Step number  21 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   20   21
 DE= -9.05D-04 DEPred=-8.53D-04 R= 1.06D+00
 TightC=F SS=  1.41D+00  RLast= 4.92D-01 DXNew= 5.0454D+00 1.4747D+00
 Trust test= 1.06D+00 RLast= 4.92D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1
 ITU=  0
     Eigenvalues ---    0.00122   0.00151   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00235   0.00371   0.00485   0.00528   0.00532
     Eigenvalues ---    0.00575   0.00653   0.00710   0.00720   0.00738
     Eigenvalues ---    0.00782   0.00820   0.00868   0.00977   0.01145
     Eigenvalues ---    0.01201   0.01281   0.01355   0.01403   0.01441
     Eigenvalues ---    0.01449   0.01529   0.01608   0.01681   0.01715
     Eigenvalues ---    0.01828   0.01845   0.01870   0.01880   0.01902
     Eigenvalues ---    0.01933   0.01981   0.02055   0.02101   0.02211
     Eigenvalues ---    0.02256   0.02282   0.02294   0.02347   0.02609
     Eigenvalues ---    0.02667   0.02987   0.03354   0.03577   0.03884
     Eigenvalues ---    0.03987   0.04095   0.04221   0.04316   0.04412
     Eigenvalues ---    0.04587   0.04743   0.04958   0.05295   0.05341
     Eigenvalues ---    0.05377   0.05396   0.05398   0.05408   0.05455
     Eigenvalues ---    0.05461   0.05500   0.05533   0.05536   0.05583
     Eigenvalues ---    0.05862   0.06021   0.06897   0.07035   0.07383
     Eigenvalues ---    0.07483   0.07497   0.07609   0.07968   0.08229
     Eigenvalues ---    0.08349   0.09093   0.09269   0.09377   0.09473
     Eigenvalues ---    0.09674   0.09863   0.09927   0.10418   0.11059
     Eigenvalues ---    0.11559   0.12315   0.12798   0.12900   0.12995
     Eigenvalues ---    0.13105   0.13674   0.14276   0.15363   0.15651
     Eigenvalues ---    0.15799   0.15914   0.15961   0.15969   0.15981
     Eigenvalues ---    0.15985   0.15988   0.15989   0.15993   0.15998
     Eigenvalues ---    0.15998   0.15999   0.15999   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16002   0.16004   0.16006   0.16009
     Eigenvalues ---    0.16011   0.16031   0.16042   0.16070   0.16096
     Eigenvalues ---    0.16180   0.16226   0.16267   0.16812   0.17221
     Eigenvalues ---    0.17707   0.18215   0.20495   0.20900   0.21216
     Eigenvalues ---    0.21355   0.22044   0.22160   0.22304   0.22436
     Eigenvalues ---    0.22810   0.22950   0.23085   0.23404   0.23757
     Eigenvalues ---    0.23806   0.24375   0.24550   0.24714   0.25012
     Eigenvalues ---    0.25047   0.25233   0.26766   0.27278   0.27699
     Eigenvalues ---    0.28058   0.28190   0.28317   0.29180   0.30314
     Eigenvalues ---    0.30611   0.30806   0.31492   0.31514   0.31731
     Eigenvalues ---    0.33576   0.33608   0.33619   0.33649   0.33663
     Eigenvalues ---    0.33755   0.33800   0.33837   0.33857   0.33915
     Eigenvalues ---    0.33931   0.33942   0.33984   0.33985   0.33993
     Eigenvalues ---    0.34026   0.34042   0.34068   0.34083   0.34087
     Eigenvalues ---    0.34127   0.34161   0.34175   0.34176   0.34191
     Eigenvalues ---    0.34279   0.34304   0.34317   0.34616   0.35472
     Eigenvalues ---    0.35563   0.35755   0.36013   0.36232   0.36337
     Eigenvalues ---    0.36441   0.36496   0.38651   0.39020   0.39443
     Eigenvalues ---    0.41724   0.42279   0.42572   0.42810   0.44804
     Eigenvalues ---    0.45284   0.45384   0.45460   0.45542   0.45585
     Eigenvalues ---    0.45609   0.45679   0.46275   0.48898   0.49131
     Eigenvalues ---    0.49615   0.49843   0.49873   0.52299   0.54561
     Eigenvalues ---    0.54890   0.55092   0.56680   0.68061   0.73143
     Eigenvalues ---    0.761501000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    21   20   19   18
 RFO step:  Lambda=-5.98784817D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.61104   -0.37739   -1.51310    1.27944
 Iteration  1 RMS(Cart)=  0.12928254 RMS(Int)=  0.00655739
 Iteration  2 RMS(Cart)=  0.01265003 RMS(Int)=  0.00132985
 Iteration  3 RMS(Cart)=  0.00024514 RMS(Int)=  0.00132838
 New curvilinear step failed, DQL= 9.51D-06 SP=-3.56D-02.
 ITry= 1 IFail=1 DXMaxC= 6.94D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.12059120 RMS(Int)=  0.00549757
 Iteration  2 RMS(Cart)=  0.00936317 RMS(Int)=  0.00128007
 Iteration  3 RMS(Cart)=  0.00018716 RMS(Int)=  0.00127923
 New curvilinear step failed, DQL= 6.73D-06 SP=-3.06D-02.
 ITry= 2 IFail=1 DXMaxC= 6.49D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.11169391 RMS(Int)=  0.00472243
 Iteration  2 RMS(Cart)=  0.00801753 RMS(Int)=  0.00123446
 Iteration  3 RMS(Cart)=  0.00015560 RMS(Int)=  0.00123390
 New curvilinear step failed, DQL= 5.19D-06 SP=-2.87D-02.
 ITry= 3 IFail=1 DXMaxC= 6.04D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.10300075 RMS(Int)=  0.00402249
 Iteration  2 RMS(Cart)=  0.00673399 RMS(Int)=  0.00119242
 Iteration  3 RMS(Cart)=  0.00012877 RMS(Int)=  0.00119206
 New curvilinear step failed, DQL= 4.02D-06 SP=-2.67D-02.
 ITry= 4 IFail=1 DXMaxC= 5.59D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.09446630 RMS(Int)=  0.00339112
 Iteration  2 RMS(Cart)=  0.00557159 RMS(Int)=  0.00115357
 Iteration  3 RMS(Cart)=  0.00010573 RMS(Int)=  0.00115335
 New curvilinear step failed, DQL= 3.10D-06 SP=-2.60D-02.
 ITry= 5 IFail=1 DXMaxC= 5.14D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08614109 RMS(Int)=  0.00283046
 Iteration  2 RMS(Cart)=  0.00453491 RMS(Int)=  0.00111756
 Iteration  3 RMS(Cart)=  0.00008339 RMS(Int)=  0.00111744
 New curvilinear step failed, DQL= 1.19D-05 SP=-4.88D-03.
 ITry= 6 IFail=1 DXMaxC= 4.68D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07808749 RMS(Int)=  0.00234369
 Iteration  2 RMS(Cart)=  0.00362025 RMS(Int)=  0.00108402
 Iteration  3 RMS(Cart)=  0.00004871 RMS(Int)=  0.00108397
 New curvilinear step failed, DQL= 9.77D-05 SP=-2.52D-04.
 ITry= 7 IFail=1 DXMaxC= 4.22D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07040231 RMS(Int)=  0.00193471
 Iteration  2 RMS(Cart)=  0.00283354 RMS(Int)=  0.00105266
 Iteration  3 RMS(Cart)=  0.00002419 RMS(Int)=  0.00105264
 New curvilinear step failed, DQL= 1.71D-04 SP=-2.26D-05.
 ITry= 8 IFail=1 DXMaxC= 3.75D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06321869 RMS(Int)=  0.00160803
 Iteration  2 RMS(Cart)=  0.00217895 RMS(Int)=  0.00102315
 Iteration  3 RMS(Cart)=  0.00000917 RMS(Int)=  0.00102315
 New curvilinear step failed, DQL= 2.29D-04 SP=-2.33D-06.
 ITry= 9 IFail=1 DXMaxC= 3.28D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05672831 RMS(Int)=  0.00136719
 Iteration  2 RMS(Cart)=  0.00166813 RMS(Int)=  0.00099524
 Iteration  3 RMS(Cart)=  0.00000107 RMS(Int)=  0.00099524
 Iteration  4 RMS(Cart)=  0.00003448 RMS(Int)=  0.00099532
 New curvilinear step failed, DQL= 1.01D-06 SP=-3.64D-02.
 ITry=10 IFail=1 DXMaxC= 2.81D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.02588611 RMS(Int)=  0.03619720 XScale=  5.02136686
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.02587227 RMS(Int)=  0.02729222 XScale=  2.51803935
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.02582679 RMS(Int)=  0.01849624 XScale=  1.68153204
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.02575294 RMS(Int)=  0.00989646 XScale=  1.26137668
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.02577988 RMS(Int)=  0.00268119 XScale=  1.00562821
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00414135 RMS(Int)=  0.00128860 XScale=  0.99889789
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00082827 RMS(Int)=  0.00229198 XScale=  1.00447945
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00083788 RMS(Int)=  0.00192395 XScale=  1.00331351
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00085164 RMS(Int)=  0.00159688 XScale=  1.00215075
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.00087454 RMS(Int)=  0.00134942 XScale=  1.00103100
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.00092957 RMS(Int)=  0.00124678 XScale=  1.00006732
 RedQX1 iteration     2 Try  6 RMS(Cart)=  0.00013902 RMS(Int)=  0.00124475 XScale=  1.00027159
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00000605 RMS(Int)=  0.00124472 XScale=  1.00025130
 RedQX1 iteration     3 Try  2 RMS(Cart)=  0.00000622 RMS(Int)=  0.00124473 XScale=  1.00022875
 RedQX1 iteration     3 Try  3 RMS(Cart)=  0.00000648 RMS(Int)=  0.00124475 XScale=  1.00020309
 RedQX1 iteration     3 Try  4 RMS(Cart)=  0.00000691 RMS(Int)=  0.00124481 XScale=  1.00017261
 RedQX1 iteration     3 Try  5 RMS(Cart)=  0.00000795 RMS(Int)=  0.00124491 XScale=  1.00013199
 RedQX1 iteration     3 Try  6 RMS(Cart)=  0.00000193 RMS(Int)=  0.00124493 XScale=  1.00012087
 RedQX1 iteration     4 Try  1 RMS(Cart)=  0.00000009 RMS(Int)=  0.00124493 XScale=  1.00012068
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00013393 RMS(Int)=  0.00018837 XScale=  5.15815247
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00013389 RMS(Int)=  0.00014643 XScale=  2.57963220
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00013383 RMS(Int)=  0.00010684 XScale=  1.72015279
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00013378 RMS(Int)=  0.00007351 XScale=  1.29043997
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00013377 RMS(Int)=  0.00005832 XScale=  1.03264164
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000464 RMS(Int)=  0.00005833 XScale=  1.03277229
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48446  -0.00188   0.00001   0.00000   0.00024   8.48470
    Y1       -0.92760  -0.00421   0.00000   0.00000  -0.00007  -0.92766
    Z1        7.47496   0.00024   0.00001   0.00000   0.00017   7.47513
    X8       10.19809  -0.00065   0.00000   0.00000  -0.00016  10.19794
    Y8        1.20618   0.00259   0.00000   0.00000   0.00018   1.20636
    Z8        0.50971  -0.00175  -0.00001   0.00000  -0.00015   0.50956
   X14        7.21037   0.00030   0.00000   0.00000   0.00005   7.21042
   Y14       -7.64137  -0.00089   0.00000   0.00000  -0.00011  -7.64148
   Z14       -3.84250   0.00122   0.00000   0.00000   0.00007  -3.84242
   X21       -6.13875  -0.00058  -0.00001   0.00000  -0.00013  -6.13889
   Y21       -9.38868   0.00051   0.00000   0.00000   0.00000  -9.38868
   Z21        4.09469   0.00015  -0.00001   0.00000  -0.00009   4.09460
    R1        2.92618   0.00223   0.00191  -0.00607  -0.00697   2.91921
    R2        2.06986   0.00067   0.00054   0.00022   0.00076   2.07062
    R3        2.05911   0.00415   0.00452  -0.00111   0.00341   2.06252
    R4        2.05863   0.00600   0.00765   0.00147   0.00912   2.06775
    R5        2.83644   0.00203   0.00242  -0.00033   0.00026   2.83671
    R6        2.05062   0.00672   0.00666   0.00146   0.00812   2.05874
    R7        2.06334   0.00540   0.00662  -0.00145   0.00517   2.06851
    R8        2.62397  -0.00051  -0.00088  -0.00065  -0.00370   2.62026
    R9        2.64850   0.00143   0.00104   0.00100   0.00241   2.65090
   R10        2.66342  -0.00193  -0.00137  -0.00550  -0.00842   2.65500
   R11        2.03407   0.00116   0.00139   0.00583   0.00722   2.04130
   R12        2.59143   0.00240   0.00160   0.00218   0.00399   2.59541
   R13        1.91156   0.00015   0.00004  -0.00042  -0.00038   1.91118
   R14        2.53608  -0.00108   0.00039   0.00021   0.00039   2.53647
   R15        2.03525   0.00034   0.00042  -0.00017   0.00025   2.03550
   R16        4.24553  -0.00071   0.02751  -0.03070  -0.00545   4.24008
   R17        2.90874   0.00267   0.00465   0.00333   0.01072   2.91946
   R18        2.07335  -0.00029  -0.00076  -0.00030  -0.00106   2.07229
   R19        2.07424   0.00094   0.00035   0.00031   0.00066   2.07490
   R20        2.07785  -0.00062  -0.00160   0.00059  -0.00101   2.07684
   R21        2.92671   0.00114   0.00122   0.00035   0.00490   2.93161
   R22        2.07651   0.00014   0.00033   0.00058   0.00091   2.07742
   R23        2.07295   0.00020   0.00064  -0.00026   0.00038   2.07333
   R24        2.88011  -0.00024   0.00005   0.00261   0.00284   2.88296
   R25        2.06858   0.00061   0.00074   0.00092   0.00165   2.07023
   R26        2.07565   0.00037   0.00060   0.00004   0.00064   2.07629
   R27        2.40178   0.00234   0.00025   0.00188   0.00139   2.40316
   R28        2.52668   0.00506  -0.00121  -0.00033   0.00021   2.52689
   R29        4.00582   0.00074   0.03128   0.11621   0.14587   4.15168
   R30        2.43730   0.00044   0.00754   0.03121   0.03936   2.47665
   R31        2.92188  -0.00012  -0.00092  -0.00144  -0.00299   2.91889
   R32        2.07225  -0.00044  -0.00079  -0.00066  -0.00145   2.07080
   R33        2.06959   0.00049   0.00101  -0.00004   0.00097   2.07057
   R34        2.07065   0.00086   0.00101   0.00054   0.00155   2.07220
   R35        2.84902  -0.00015  -0.00039  -0.00030  -0.00187   2.84716
   R36        2.07838  -0.00004   0.00029   0.00005   0.00034   2.07872
   R37        2.07933  -0.00003   0.00020   0.00032   0.00052   2.07985
   R38        2.62192   0.00001  -0.00006  -0.00021   0.00017   2.62209
   R39        2.65341   0.00014   0.00037  -0.00012  -0.00036   2.65306
   R40        2.65082   0.00054   0.00045   0.00187   0.00177   2.65259
   R41        2.03814  -0.00098  -0.00015  -0.00089  -0.00104   2.03710
   R42        2.59987  -0.00105  -0.00060  -0.00097  -0.00246   2.59740
   R43        1.91267   0.00010   0.00010  -0.00009   0.00001   1.91269
   R44        2.53059   0.00038  -0.00014   0.00002  -0.00010   2.53050
   R45        2.03507   0.00045   0.00022  -0.00020   0.00002   2.03509
   R46        4.06201   0.00081  -0.00538  -0.00353  -0.00972   4.05229
   R47        2.91359   0.00081   0.00055   0.00086   0.00223   2.91582
   R48        2.07219   0.00011  -0.00014   0.00029   0.00015   2.07234
   R49        2.07307  -0.00007  -0.00004   0.00043   0.00039   2.07346
   R50        2.06921   0.00041   0.00026  -0.00017   0.00009   2.06931
   R51        2.84138   0.00083   0.00046  -0.00051  -0.00067   2.84071
   R52        2.07931  -0.00002   0.00034   0.00018   0.00052   2.07984
   R53        2.07878   0.00008  -0.00003  -0.00009  -0.00012   2.07866
   R54        2.62289  -0.00032  -0.00041  -0.00209  -0.00397   2.61892
   R55        2.65348   0.00059   0.00029   0.00017   0.00103   2.65451
   R56        2.64530   0.00052  -0.00049  -0.00023  -0.00187   2.64343
   R57        2.03498   0.00009   0.00016   0.00021   0.00037   2.03535
   R58        2.60180  -0.00016   0.00023  -0.00008   0.00097   2.60276
   R59        1.91258   0.00015   0.00007   0.00007   0.00014   1.91273
   R60        2.52618   0.00076   0.00062   0.00085   0.00145   2.52763
   R61        2.03727   0.00012   0.00001   0.00000   0.00001   2.03727
   R62        4.03965  -0.00074  -0.00098   0.01161   0.00953   4.04917
   R63        3.80685  -0.00209   0.00506   0.00556   0.00903   3.81588
   R64        4.20099   0.00038  -0.01068  -0.00309  -0.01396   4.18703
   R65        4.72409  -0.00140  -0.03320  -0.08410  -0.11774   4.60635
   R66        1.85877   0.00074  -0.00061  -0.00387  -0.00499   1.85378
   R67        2.17679  -0.00394  -0.00291  -0.02659  -0.02945   2.14734
   R68        2.39867   0.00101   0.00026   0.00056   0.00101   2.39968
   R69        2.56877   0.00207   0.00065   0.00215   0.00308   2.57185
   R70        2.86727   0.00001   0.00038  -0.00202  -0.00164   2.86563
   R71        2.76353   0.00120   0.00051   0.00115   0.00175   2.76528
   R72        1.91276   0.00066   0.00058   0.00020   0.00078   1.91353
   R73        2.90606   0.00085   0.00035   0.00009   0.00086   2.90692
   R74        2.07514  -0.00003   0.00057  -0.00057   0.00001   2.07515
   R75        2.06823   0.00003   0.00030   0.00028   0.00058   2.06881
   R76        2.41471  -0.00176   0.00021   0.00028   0.00059   2.41530
   R77        2.55038   0.00120  -0.00075  -0.00102  -0.00177   2.54861
   R78        1.91826   0.00031  -0.00069  -0.00075  -0.00143   1.91682
   R79        2.77629   0.00134   0.00097   0.00136   0.00233   2.77862
   R80        2.06964   0.00011   0.00023   0.00052   0.00074   2.07039
   R81        2.06267   0.00001  -0.00012  -0.00013  -0.00025   2.06242
   R82        2.06879   0.00029   0.00002   0.00031   0.00033   2.06912
   R83        2.07011   0.00057   0.00062   0.00025   0.00088   2.07099
   R84        2.06822   0.00012   0.00009  -0.00016  -0.00007   2.06816
   R85        2.06685   0.00061   0.00063  -0.00007   0.00056   2.06741
    A1        1.92475  -0.00028  -0.00101   0.00064  -0.00036   1.92439
    A2        1.93038   0.00042   0.00370  -0.00100   0.00269   1.93307
    A3        1.95314   0.00000   0.00058   0.00144   0.00202   1.95516
    A4        1.88683  -0.00002  -0.00115   0.00133   0.00019   1.88702
    A5        1.87793   0.00000  -0.00220  -0.00328  -0.00547   1.87246
    A6        1.88866  -0.00013  -0.00012   0.00081   0.00067   1.88933
    A7        1.98566   0.00032  -0.00003  -0.00074  -0.00230   1.98336
    A8        1.90462  -0.00030  -0.00388   0.00195  -0.00164   1.90298
    A9        1.90833   0.00020   0.00339  -0.00288   0.00109   1.90942
   A10        1.87326   0.00043  -0.00084   0.00281   0.00241   1.87567
   A11        1.92901  -0.00070   0.00115  -0.00149   0.00013   1.92914
   A12        1.85823   0.00004   0.00003   0.00062   0.00045   1.85869
   A13        2.29570   0.00142  -0.00065  -0.00099  -0.00324   2.29245
   A14        2.15666  -0.00092   0.00029  -0.00053   0.00126   2.15793
   A15        1.83034  -0.00049  -0.00009   0.00196   0.00234   1.83269
   A16        1.91935   0.00067   0.00030  -0.00276  -0.00263   1.91672
   A17        2.22863   0.00106  -0.00224   0.00627   0.00400   2.23263
   A18        2.13506  -0.00172   0.00194  -0.00314  -0.00123   2.13384
   A19        1.89645  -0.00047  -0.00006  -0.00049  -0.00103   1.89542
   A20        2.19857  -0.00047   0.00031  -0.00145  -0.00091   2.19766
   A21        2.18816   0.00094  -0.00023   0.00194   0.00195   2.19011
   A22        1.92916  -0.00098  -0.00142  -0.00431  -0.00674   1.92242
   A23        2.15526   0.00102   0.00086   0.00186   0.00321   2.15848
   A24        2.19836  -0.00002   0.00039   0.00308   0.00390   2.20226
   A25        1.84928   0.00129   0.00122   0.00583   0.00793   1.85721
   A26        2.19162   0.00025   0.01979   0.02130   0.03725   2.22887
   A27        2.24215  -0.00154  -0.02193  -0.02663  -0.04553   2.19662
   A28        1.93849  -0.00005   0.00082   0.00343   0.00426   1.94275
   A29        1.93732  -0.00007  -0.00277  -0.00310  -0.00586   1.93146
   A30        1.93081   0.00018   0.00074  -0.00033   0.00040   1.93122
   A31        1.89477  -0.00011   0.00029  -0.00142  -0.00111   1.89366
   A32        1.88236  -0.00008   0.00123   0.00100   0.00222   1.88457
   A33        1.87802   0.00013  -0.00026   0.00041   0.00014   1.87816
   A34        1.97509   0.00079   0.00277  -0.00024   0.00745   1.98254
   A35        1.92125  -0.00067  -0.00123  -0.00424  -0.00680   1.91445
   A36        1.90479   0.00016   0.00031   0.00385   0.00265   1.90745
   A37        1.89720  -0.00007  -0.00045   0.00156  -0.00040   1.89680
   A38        1.89115  -0.00044  -0.00085  -0.00258  -0.00490   1.88625
   A39        1.87132   0.00020  -0.00074   0.00178   0.00177   1.87309
   A40        1.93663  -0.00055  -0.00098  -0.00354  -0.00439   1.93224
   A41        1.94351   0.00019   0.00100  -0.00152  -0.00005   1.94346
   A42        1.89584   0.00040   0.00230   0.00178   0.00355   1.89939
   A43        1.90242   0.00019   0.00019   0.00348   0.00349   1.90592
   A44        1.89519  -0.00002  -0.00146   0.00033  -0.00104   1.89415
   A45        1.88905  -0.00021  -0.00115  -0.00044  -0.00156   1.88748
   A46        2.11763  -0.00163  -0.00581  -0.00862  -0.01660   2.10103
   A47        2.03560   0.00119   0.00271   0.00629   0.01018   2.04578
   A48        2.12855   0.00043   0.00289   0.00338   0.00714   2.13569
   A49        1.80123  -0.00144  -0.00308  -0.00378  -0.00768   1.79355
   A50        1.84321  -0.00038   0.00006  -0.00107   0.00006   1.84328
   A51        1.93602   0.00038   0.00096   0.00044   0.00140   1.93741
   A52        1.92076   0.00024  -0.00029  -0.00018  -0.00047   1.92029
   A53        1.94568  -0.00058  -0.00064   0.00012  -0.00053   1.94515
   A54        1.89332  -0.00025  -0.00033  -0.00098  -0.00130   1.89202
   A55        1.88670   0.00013   0.00044   0.00217   0.00260   1.88930
   A56        1.87955   0.00008  -0.00015  -0.00162  -0.00178   1.87778
   A57        1.97601  -0.00023  -0.00109   0.00043  -0.00269   1.97332
   A58        1.90639  -0.00031  -0.00075  -0.00135  -0.00222   1.90417
   A59        1.90307   0.00031   0.00125   0.00007   0.00261   1.90568
   A60        1.90008   0.00054   0.00022   0.00107   0.00193   1.90200
   A61        1.91964  -0.00031   0.00034  -0.00027   0.00068   1.92032
   A62        1.85471   0.00000   0.00007   0.00000  -0.00019   1.85451
   A63        2.31149   0.00049   0.00101   0.00388   0.00497   2.31646
   A64        2.14695  -0.00078  -0.00173  -0.00377  -0.00632   2.14063
   A65        1.82464   0.00029   0.00063   0.00004   0.00136   1.82600
   A66        1.91945  -0.00030  -0.00064  -0.00064  -0.00218   1.91726
   A67        2.24582   0.00020  -0.00091   0.00027  -0.00021   2.24561
   A68        2.11699   0.00012   0.00153   0.00045   0.00241   2.11940
   A69        1.90266  -0.00015  -0.00053   0.00083  -0.00008   1.90258
   A70        2.18858  -0.00011   0.00057  -0.00054   0.00020   2.18878
   A71        2.19145   0.00027   0.00009  -0.00016   0.00008   2.19153
   A72        1.91434   0.00053   0.00052  -0.00028   0.00046   1.91480
   A73        2.18574  -0.00054  -0.00094  -0.00103  -0.00211   2.18363
   A74        2.18262   0.00002   0.00046   0.00146   0.00180   2.18443
   A75        1.86361  -0.00036   0.00007   0.00008   0.00049   1.86411
   A76        2.18950  -0.00010  -0.00199   0.00082  -0.00064   2.18886
   A77        2.19581   0.00045   0.00410   0.00718   0.00943   2.20524
   A78        1.94130  -0.00001   0.00004   0.00068   0.00071   1.94202
   A79        1.94203  -0.00004  -0.00027   0.00095   0.00067   1.94271
   A80        1.92663  -0.00007   0.00000  -0.00035  -0.00035   1.92628
   A81        1.88882   0.00007   0.00037   0.00017   0.00054   1.88936
   A82        1.87934  -0.00005   0.00041  -0.00066  -0.00025   1.87909
   A83        1.88346   0.00011  -0.00053  -0.00086  -0.00139   1.88207
   A84        1.95565   0.00055  -0.00118  -0.00116  -0.00436   1.95129
   A85        1.90720   0.00008  -0.00091   0.00031  -0.00074   1.90647
   A86        1.90962  -0.00042   0.00135   0.00166   0.00427   1.91389
   A87        1.91373  -0.00021  -0.00057  -0.00092  -0.00086   1.91287
   A88        1.91703  -0.00001   0.00133   0.00093   0.00286   1.91989
   A89        1.85803  -0.00002   0.00003  -0.00079  -0.00102   1.85701
   A90        2.30294  -0.00047  -0.00112  -0.00138  -0.00486   2.29808
   A91        2.15291   0.00038   0.00098   0.00197   0.00515   2.15806
   A92        1.82734   0.00010   0.00015  -0.00057  -0.00039   1.82695
   A93        1.91583   0.00011   0.00012   0.00167   0.00216   1.91800
   A94        2.25187  -0.00024  -0.00044  -0.00274  -0.00337   2.24849
   A95        2.11548   0.00014   0.00032   0.00106   0.00118   2.11666
   A96        1.89934   0.00000  -0.00018   0.00011  -0.00033   1.89901
   A97        2.18951   0.00016  -0.00014   0.00018   0.00022   2.18973
   A98        2.19396  -0.00015  -0.00010  -0.00055  -0.00049   2.19347
   A99        1.91368   0.00002  -0.00029   0.00004  -0.00105   1.91263
   A100       2.19107  -0.00010  -0.00017  -0.00062  -0.00039   2.19068
   A101       2.17776   0.00009   0.00037   0.00039   0.00123   2.17899
   A102       1.86850  -0.00022   0.00013  -0.00131  -0.00060   1.86790
   A103       2.22033   0.00017   0.00540   0.01597   0.01688   2.23721
   A104       2.18652   0.00006  -0.00461  -0.01619  -0.01688   2.16965
   A105       1.76272  -0.00064  -0.00845  -0.00568  -0.01071   1.75201
   A106       1.51331  -0.00060  -0.00467   0.00431   0.00284   1.51615
   A107       1.56169  -0.00030  -0.00198  -0.00592  -0.00475   1.55694
   A108       2.93631   0.00099   0.00909   0.01144   0.01827   2.95458
   A109       1.58819   0.00021   0.00940  -0.00584   0.00189   1.59007
   A110       1.67132   0.00043   0.00250   0.00549   0.01056   1.68188
   A111       1.58872   0.00131   0.01167   0.01917   0.03011   1.61884
   A112       1.56897  -0.00031  -0.00522  -0.00552  -0.01163   1.55735
   A113       2.93183   0.00043  -0.00121   0.01040   0.00642   2.93825
   A114       3.01490  -0.00186  -0.01576  -0.02215  -0.03754   2.97735
   A115       1.53245   0.00089  -0.00101  -0.00146  -0.00755   1.52490
   A116       1.49432  -0.00029   0.00266   0.00982   0.00868   1.50300
   A117       1.65457  -0.00021   0.00677  -0.00036   0.00519   1.65976
   A118       1.54074  -0.00131  -0.01502  -0.03527  -0.05002   1.49073
   A119       1.36506   0.00074   0.00469   0.01830   0.02237   1.38742
   A120       2.14854  -0.00053  -0.02281  -0.01641  -0.04199   2.10655
   A121       2.35050  -0.00147   0.01541  -0.02761  -0.01476   2.33574
   A122       1.74212   0.00187   0.00299   0.02386   0.02969   1.77181
   A123       2.11103   0.00021  -0.00810  -0.04227  -0.04953   2.06150
   A124       2.88990  -0.00031   0.00571   0.02307   0.02343   2.91333
   A125       2.13518  -0.00050  -0.00275  -0.00617  -0.00942   2.12576
   A126       2.10399   0.00051   0.00127   0.00390   0.00543   2.10942
   A127       2.04359  -0.00001   0.00147   0.00221   0.00398   2.04757
   A128       2.40920  -0.00007   0.00184  -0.01265  -0.01266   2.39654
   A129       2.14850  -0.00004  -0.00187  -0.00648  -0.00874   2.13975
   A130       2.06801   0.00001   0.00086   0.00345   0.00477   2.07278
   A131       2.06565   0.00003   0.00058   0.00294   0.00396   2.06961
   A132       1.96903   0.00039   0.00260   0.00275   0.00483   1.97386
   A133       1.90750  -0.00021  -0.00143   0.00046  -0.00104   1.90646
   A134       1.90140  -0.00017  -0.00014   0.00005   0.00027   1.90166
   A135       1.83524   0.00017  -0.00041  -0.00544  -0.00578   1.82946
   A136       1.94860  -0.00029  -0.00045   0.00194   0.00169   1.95029
   A137       1.89993   0.00011  -0.00031   0.00000  -0.00037   1.89957
   A138       2.10212  -0.00009   0.00002   0.00045  -0.00056   2.10156
   A139       2.01829   0.00033  -0.00101  -0.00169  -0.00234   2.01595
   A140       2.16197  -0.00026   0.00075   0.00049   0.00163   2.16361
   A141       1.87863   0.00107   0.01911   0.04603   0.06370   1.94232
   A142       2.06412  -0.00016  -0.00029  -0.00057  -0.00100   2.06312
   A143       2.16189   0.00024   0.00384   0.00529   0.00900   2.17088
   A144       2.02943  -0.00010   0.00011  -0.00089  -0.00090   2.02853
   A145       1.91770  -0.00013   0.00056   0.00377   0.00433   1.92203
   A146       1.89965  -0.00013  -0.00040  -0.00076  -0.00116   1.89849
   A147       1.91230  -0.00015  -0.00130  -0.01336  -0.01467   1.89763
   A148       1.91228   0.00002  -0.00016   0.00089   0.00073   1.91302
   A149       1.91075   0.00014   0.00058   0.00474   0.00533   1.91608
   A150       1.91109   0.00025   0.00069   0.00469   0.00535   1.91644
   A151       1.90276   0.00003  -0.00085   0.00035  -0.00049   1.90226
   A152       1.90569  -0.00010  -0.00010  -0.00020  -0.00030   1.90539
   A153       1.97617   0.00010   0.00064  -0.00058   0.00006   1.97623
   A154       1.87496   0.00008   0.00006   0.00019   0.00025   1.87521
   A155       1.89423  -0.00001   0.00011  -0.00013  -0.00002   1.89421
   A156       1.90736  -0.00009   0.00011   0.00041   0.00051   1.90788
    D1        3.12216   0.00043  -0.00539  -0.00914  -0.01459   3.10758
    D2        1.03094  -0.00012  -0.00153  -0.01361  -0.01500   1.01594
    D3       -0.99514  -0.00011  -0.00132  -0.01384  -0.01524  -1.01038
    D4        1.03596   0.00036  -0.00568  -0.01058  -0.01631   1.01965
    D5       -1.05526  -0.00019  -0.00182  -0.01505  -0.01672  -1.07199
    D6       -3.08135  -0.00018  -0.00161  -0.01527  -0.01696  -3.09830
    D7       -1.07125   0.00023  -0.00844  -0.01190  -0.02041  -1.09166
    D8        3.12072  -0.00031  -0.00459  -0.01637  -0.02083   3.09989
    D9        1.09463  -0.00030  -0.00438  -0.01660  -0.02106   1.07357
   D10       -2.01147  -0.00021   0.01561  -0.09611  -0.08019  -2.09165
   D11        1.09144   0.00040   0.01701  -0.07815  -0.06087   1.03057
   D12        0.09741  -0.00009   0.01021  -0.09215  -0.08201   0.01540
   D13       -3.08287   0.00052   0.01161  -0.07420  -0.06269   3.13763
   D14        2.11705  -0.00017   0.01032  -0.09060  -0.08003   2.03702
   D15       -1.06323   0.00044   0.01172  -0.07265  -0.06071  -1.12394
   D16        3.12614  -0.00015   0.01213   0.00857   0.02183  -3.13521
   D17       -0.03367   0.00041   0.01034   0.03127   0.04176   0.00809
   D18        0.01791  -0.00066   0.01079  -0.00688   0.00517   0.02307
   D19        3.14127  -0.00010   0.00899   0.01582   0.02510  -3.11681
   D20       -3.12957   0.00010  -0.00953  -0.00020  -0.01086  -3.14043
   D21        0.00948  -0.00003  -0.00557  -0.00326  -0.00911   0.00037
   D22       -0.01794   0.00061  -0.00875   0.01366   0.00405  -0.01389
   D23        3.12111   0.00048  -0.00479   0.01060   0.00580   3.12691
   D24       -0.01125   0.00048  -0.00883  -0.00252  -0.01262  -0.02387
   D25        3.11405   0.00045   0.00814   0.02770   0.03578  -3.13336
   D26       -3.13578  -0.00009  -0.00701  -0.02390  -0.03128   3.11613
   D27       -0.01048  -0.00011   0.00997   0.00632   0.01712   0.00664
   D28        0.01177  -0.00033   0.00356  -0.01614  -0.01237  -0.00060
   D29        3.12464   0.00014   0.00099   0.00645   0.00859   3.13322
   D30       -3.12729  -0.00020  -0.00039  -0.01310  -0.01411  -3.14140
   D31       -0.01443   0.00027  -0.00297   0.00949   0.00685  -0.00758
   D32       -0.00044  -0.00009   0.00314   0.01139   0.01517   0.01473
   D33       -3.12511  -0.00009  -0.01547  -0.02062  -0.03310   3.12498
   D34       -3.11243  -0.00060   0.00589  -0.01186  -0.00642  -3.11885
   D35        0.04609  -0.00060  -0.01272  -0.04386  -0.05468  -0.00859
   D36        1.81167   0.00023   0.03100   0.00007   0.03157   1.84324
   D37       -2.80938   0.00058   0.03327   0.00671   0.04325  -2.76613
   D38        0.22438  -0.00106   0.01928  -0.01834   0.00176   0.22613
   D39       -1.72197  -0.00031  -0.03293  -0.00746  -0.03931  -1.76128
   D40       -1.31620   0.00026   0.03471   0.01698   0.05190  -1.26430
   D41       -1.34993   0.00023   0.05275   0.03763   0.08958  -1.26036
   D42        0.31221   0.00058   0.05502   0.04427   0.10126   0.41346
   D43       -2.93722  -0.00105   0.04103   0.01922   0.05976  -2.87746
   D44        1.39961  -0.00030  -0.01117   0.03010   0.01870   1.41831
   D45        1.80538   0.00027   0.05647   0.05455   0.10991   1.91529
   D46        1.06551   0.00003  -0.00983   0.00196  -0.00793   1.05758
   D47       -3.09095   0.00000  -0.00939   0.00071  -0.00827  -3.09922
   D48       -1.04165  -0.00004  -0.01082   0.00269  -0.00851  -1.05016
   D49       -1.04429   0.00025  -0.00892   0.00354  -0.00542  -1.04971
   D50        1.08243   0.00023  -0.00847   0.00229  -0.00576   1.07668
   D51        3.13173   0.00018  -0.00990   0.00426  -0.00599   3.12574
   D52       -3.12788   0.00001  -0.00727   0.00524  -0.00208  -3.12996
   D53       -1.00116  -0.00002  -0.00683   0.00400  -0.00241  -1.00357
   D54        1.04814  -0.00006  -0.00825   0.00597  -0.00265   1.04549
   D55       -1.02707  -0.00028  -0.00930  -0.01734  -0.02655  -1.05362
   D56        1.09542  -0.00028  -0.00903  -0.01641  -0.02517   1.07025
   D57       -3.10912  -0.00017  -0.00837  -0.01673  -0.02487  -3.13399
   D58        3.11597   0.00009  -0.00927  -0.01288  -0.02258   3.09339
   D59       -1.04472   0.00009  -0.00900  -0.01195  -0.02120  -1.06592
   D60        1.03392   0.00020  -0.00833  -0.01228  -0.02089   1.01303
   D61        1.08782   0.00012  -0.00769  -0.01443  -0.02182   1.06600
   D62       -3.07288   0.00012  -0.00741  -0.01350  -0.02044  -3.09332
   D63       -0.99423   0.00023  -0.00675  -0.01382  -0.02013  -1.01437
   D64       -0.90762   0.00024   0.01328  -0.02366  -0.00923  -0.91685
   D65        2.17803   0.00022   0.01025  -0.00287   0.00788   2.18591
   D66       -3.05400   0.00023   0.01250  -0.02179  -0.00865  -3.06265
   D67        0.03164   0.00021   0.00947  -0.00099   0.00846   0.04011
   D68        1.17482   0.00039   0.01460  -0.02340  -0.00815   1.16667
   D69       -2.02272   0.00037   0.01156  -0.00260   0.00896  -2.01375
   D70        2.84151   0.00080   0.00092   0.01374   0.01087   2.85238
   D71       -0.24114   0.00080   0.00414  -0.00824  -0.00718  -0.24832
   D72       -2.83311  -0.00111   0.00057  -0.02294  -0.01868  -2.85179
   D73        0.25216  -0.00120  -0.00280  -0.00241  -0.00202   0.25014
   D74        0.01523   0.00112  -0.00133   0.03769   0.03602   0.05125
   D75        0.17006   0.00107  -0.00137   0.02719   0.02486   0.19493
   D76       -1.02835  -0.00021   0.00022  -0.00456  -0.00403  -1.03238
   D77        1.09194   0.00011  -0.00077  -0.00386  -0.00495   1.08699
   D78        3.11186   0.00011  -0.00040  -0.00456  -0.00496   3.10689
   D79       -3.12367  -0.00029   0.00019  -0.00350  -0.00300  -3.12667
   D80       -1.00339   0.00003  -0.00080  -0.00281  -0.00392  -1.00731
   D81        1.01653   0.00003  -0.00043  -0.00351  -0.00393   1.01260
   D82        1.07519  -0.00018   0.00099  -0.00143  -0.00013   1.07507
   D83       -3.08770   0.00015   0.00000  -0.00074  -0.00105  -3.08876
   D84       -1.06778   0.00015   0.00037  -0.00144  -0.00107  -1.06885
   D85       -0.50170   0.00011   0.07340   0.13352   0.20602  -0.29569
   D86        2.62137   0.00023   0.06336   0.14590   0.20766   2.82903
   D87       -2.62553   0.00026   0.07493   0.13419   0.20927  -2.41627
   D88        0.49754   0.00039   0.06489   0.14657   0.21091   0.70845
   D89        1.63206   0.00012   0.07454   0.13372   0.20801   1.84007
   D90       -1.52804   0.00025   0.06451   0.14610   0.20965  -1.31839
   D91        3.11349   0.00058  -0.00412   0.01288   0.00690   3.12039
   D92        0.01834   0.00018  -0.00436   0.01091   0.00631   0.02464
   D93       -0.01206   0.00047   0.00456   0.00220   0.00554  -0.00652
   D94       -3.10722   0.00008   0.00432   0.00022   0.00495  -3.10227
   D95       -3.11752  -0.00042   0.00245  -0.01015  -0.00612  -3.12363
   D96       -0.00846  -0.00019   0.00682  -0.00609   0.00135  -0.00712
   D97        0.00996  -0.00032  -0.00520  -0.00066  -0.00481   0.00515
   D98        3.11901  -0.00009  -0.00083   0.00340   0.00265   3.12166
   D99        0.00984  -0.00046  -0.00225  -0.00295  -0.00427   0.00557
   D100      -2.86573  -0.00049  -0.01127  -0.03472  -0.04376  -2.90948
   D101       3.10901  -0.00009  -0.00209  -0.00115  -0.00380   3.10521
   D102       0.23344  -0.00013  -0.01110  -0.03292  -0.04329   0.19016
   D103      -0.00427   0.00005   0.00405  -0.00116   0.00238  -0.00190
   D104       3.10548   0.00015   0.00506   0.00377   0.00805   3.11353
   D105      -3.11326  -0.00017  -0.00036  -0.00522  -0.00510  -3.11836
   D106      -0.00350  -0.00008   0.00065  -0.00029   0.00057  -0.00293
   D107      -0.00329   0.00024  -0.00112   0.00247   0.00111  -0.00219
   D108       2.87104   0.00017   0.00674   0.03314   0.03908   2.91012
   D109      -3.11312   0.00016  -0.00209  -0.00239  -0.00448  -3.11760
   D110      -0.23879   0.00008   0.00577   0.02828   0.03349  -0.20530
   D111      -0.39411  -0.00011  -0.02909  -0.04302  -0.07359  -0.46770
   D112      -1.92567   0.00049  -0.02389  -0.04795  -0.07739  -2.00306
   D113       1.17089  -0.00017  -0.02899  -0.04543  -0.07309   1.09780
   D114       2.82545  -0.00038  -0.02230  -0.04589  -0.06842   2.75702
   D115       2.68154  -0.00041  -0.04834  -0.12764  -0.17704   2.50450
   D116       3.06308   0.00000  -0.03892  -0.07941  -0.11894   2.94414
   D117       1.53152   0.00059  -0.03372  -0.08434  -0.12274   1.40878
   D118      -1.65510  -0.00006  -0.03882  -0.08181  -0.11844  -1.77355
   D119      -0.00055  -0.00027  -0.03212  -0.08228  -0.11378  -0.11432
   D120      -0.14445  -0.00030  -0.05817  -0.16402  -0.22239  -0.36685
   D121      -1.05405  -0.00004   0.00006  -0.00621  -0.00645  -1.06050
   D122       3.10448  -0.00019   0.00219  -0.00449  -0.00199   3.10249
   D123       1.07647   0.00002   0.00191  -0.00465  -0.00275   1.07371
   D124       1.05332   0.00002   0.00036  -0.00489  -0.00482   1.04850
   D125      -1.07134  -0.00014   0.00250  -0.00317  -0.00036  -1.07170
   D126      -3.09935   0.00008   0.00222  -0.00333  -0.00112  -3.10047
   D127      -3.13914   0.00008  -0.00048  -0.00558  -0.00636   3.13768
   D128       1.01938  -0.00008   0.00165  -0.00387  -0.00190   1.01748
   D129      -1.00862   0.00014   0.00137  -0.00403  -0.00267  -1.01129
   D130       0.23716  -0.00022  -0.03587  -0.04314  -0.07807   0.15909
   D131      -2.90621  -0.00023  -0.03119  -0.02891  -0.05854  -2.96475
   D132       2.35807   0.00010  -0.03821  -0.04416  -0.08249   2.27559
   D133      -0.78529   0.00009  -0.03353  -0.02994  -0.06296  -0.84825
   D134      -1.88912  -0.00005  -0.03772  -0.04512  -0.08256  -1.97168
   D135       1.25070  -0.00006  -0.03305  -0.03089  -0.06303   1.18767
   D136      -3.13137  -0.00035   0.00817   0.01705   0.02728  -3.10409
   D137       0.00592   0.00007   0.00764   0.01488   0.02287   0.02879
   D138       0.01175  -0.00034   0.00411   0.00476   0.01047   0.02222
   D139      -3.13414   0.00008   0.00359   0.00259   0.00606  -3.12808
   D140       3.13163   0.00034  -0.00774  -0.01512  -0.02476   3.10688
   D141       0.01841  -0.00014  -0.00186  -0.00529  -0.00776   0.01065
   D142      -0.01132   0.00034  -0.00418  -0.00418  -0.00968  -0.02100
   D143      -3.12455  -0.00014   0.00171   0.00565   0.00731  -3.11724
   D144      -0.00793   0.00022  -0.00254  -0.00363  -0.00747  -0.01540
   D145       3.00418   0.00032   0.00536  -0.01775  -0.01400   2.99018
   D146       3.13756  -0.00016  -0.00207  -0.00164  -0.00343   3.13413
   D147      -0.13351  -0.00006   0.00583  -0.01577  -0.00996  -0.14347
   D148       0.00691  -0.00022   0.00280   0.00211   0.00548   0.01238
   D149      -3.09671  -0.00051   0.00196   0.00764   0.01085  -3.08586
   D150       3.12004   0.00027  -0.00315  -0.00773  -0.01155   3.10849
   D151       0.01642  -0.00002  -0.00399  -0.00220  -0.00617   0.01025
   D152       0.00054   0.00000  -0.00018   0.00088   0.00112   0.00166
   D153      -3.01475  -0.00011  -0.00968   0.01166   0.00422  -3.01054
   D154       3.10452   0.00028   0.00065  -0.00462  -0.00426   3.10026
   D155       0.08922   0.00017  -0.00886   0.00616  -0.00116   0.08806
   D156      -1.45300   0.00035   0.01308  -0.03132  -0.01918  -1.47217
   D157       0.30513  -0.00037   0.00393  -0.03685  -0.03007   0.27505
   D158      -2.47228  -0.00043  -0.02142  -0.12462  -0.14285  -2.61512
   D159       1.87022  -0.00062  -0.00149  -0.04276  -0.04304   1.82718
   D160      -3.04567   0.00007   0.00319  -0.02453  -0.02036  -3.06604
   D161       1.53680   0.00045   0.02335  -0.04622  -0.02500   1.51180
   D162      -2.98826  -0.00027   0.01420  -0.05176  -0.03590  -3.02416
   D163       0.51752  -0.00032  -0.01115  -0.13952  -0.14867   0.36885
   D164      -1.42317  -0.00051   0.00879  -0.05767  -0.04886  -1.47203
   D165      -0.05587   0.00018   0.01347  -0.03943  -0.02619  -0.08206
   D166       1.92244  -0.00019  -0.01670   0.01714   0.00259   1.92503
   D167      -0.84483  -0.00004  -0.00661   0.09953   0.09791  -0.74692
   D168       0.15984   0.00046  -0.00808   0.02302   0.01362   0.17346
   D169      -2.60743   0.00062   0.00200   0.10542   0.10895  -2.49849
   D170       2.93911   0.00052   0.01730   0.11038   0.12582   3.06492
   D171       0.17183   0.00068   0.02738   0.19277   0.22115   0.39298
   D172      -1.41063   0.00067  -0.00402   0.02696   0.02252  -1.38810
   D173       2.10528   0.00083   0.00606   0.10936   0.11785   2.22313
   D174      -2.77228   0.00004  -0.00712   0.01181   0.00537  -2.76691
   D175       0.74363   0.00020   0.00296   0.09420   0.10070   0.84433
   D176       0.39901   0.00000   0.04213  -0.04359  -0.00197   0.39705
   D177      -3.12705  -0.00057  -0.02133  -0.05141  -0.07231   3.08383
   D178       1.48468  -0.00101  -0.02400  -0.05713  -0.08348   1.40120
   D179      -1.53841   0.00072  -0.01017  -0.03264  -0.04311  -1.58153
   D180      -0.01596  -0.00051  -0.02679  -0.06702  -0.09314  -0.10910
   D181       1.88158  -0.00023   0.02498   0.04536   0.07058   1.95216
   D182      -1.19527   0.00008   0.04382   0.12849   0.17247  -1.02281
   D183      -2.88980  -0.00085   0.01920   0.05035   0.07349  -2.81632
   D184       0.32042   0.00010   0.02736   0.05173   0.07640   0.39682
   D185      -1.34230   0.00007   0.01732   0.04551   0.06259  -1.27971
   D186      -2.72588  -0.00048   0.00295   0.03191   0.03896  -2.68692
   D187       0.14867  -0.00107  -0.00278  -0.03407  -0.03370   0.11498
   D188       2.43731   0.00021  -0.01040  -0.07812  -0.09409   2.34322
   D189      -0.38820   0.00056   0.00170  -0.00468  -0.00175  -0.38996
   D190       0.82040  -0.00058   0.01991   0.05881   0.07721   0.89761
   D191      -2.35345  -0.00018   0.02150   0.05655   0.07680  -2.27665
   D192       0.03139   0.00031   0.00125  -0.01031  -0.00942   0.02197
   D193      -3.06066   0.00019  -0.00097  -0.00832  -0.00932  -3.06999
   D194      -3.07900  -0.00009  -0.00027  -0.00816  -0.00906  -3.08806
   D195       0.11213  -0.00021  -0.00248  -0.00617  -0.00897   0.10317
   D196      -1.12020  -0.00019   0.00145   0.00112   0.00246  -1.11774
   D197       0.92340  -0.00013   0.00099   0.00144   0.00231   0.92571
   D198       3.05262  -0.00026   0.00149   0.00142   0.00279   3.05542
   D199       1.99077   0.00018   0.00289  -0.00117   0.00183   1.99260
   D200      -2.24881   0.00024   0.00242  -0.00086   0.00168  -2.24713
   D201      -0.11959   0.00011   0.00292  -0.00088   0.00216  -0.11742
   D202      -1.35246  -0.00001   0.00121  -0.01112  -0.00955  -1.36200
   D203       0.68252   0.00030   0.00135  -0.01592  -0.01449   0.66804
   D204       2.75648   0.00022   0.00006  -0.01562  -0.01538   2.74110
   D205       1.73966   0.00011   0.00344  -0.01309  -0.00962   1.73004
   D206      -2.50854   0.00042   0.00358  -0.01789  -0.01456  -2.52310
   D207      -0.43459   0.00034   0.00229  -0.01759  -0.01545  -0.45005
   D208       0.54594   0.00071   0.00884   0.04603   0.05449   0.60043
   D209      -2.63682   0.00003   0.00323   0.02656   0.02934  -2.60749
   D210      -1.53151   0.00064   0.00938   0.04742   0.05679  -1.47472
   D211       1.56891  -0.00004   0.00377   0.02794   0.03164   1.60055
   D212       2.69414   0.00056   0.01026   0.04963   0.05978   2.75392
   D213      -0.48862  -0.00013   0.00465   0.03016   0.03462  -0.45399
   D214       1.13123  -0.00060  -0.01015  -0.04328  -0.05439   1.07684
   D215      -1.96566   0.00013  -0.00403  -0.02208  -0.02691  -1.99257
   D216      -0.12547   0.00073   0.03319   0.08050   0.11376  -0.01171
   D217      -3.00640   0.00086   0.01563   0.06298   0.07870  -2.92770
   D218       2.97337   0.00003   0.02736   0.06027   0.08754   3.06091
   D219       0.09244   0.00016   0.00980   0.04275   0.05248   0.14493
   D220      -2.38049   0.00021   0.03301   0.07759   0.11062  -2.26988
   D221      -0.28652   0.00008   0.03293   0.08048   0.11341  -0.17311
   D222       1.80275   0.00021   0.03276   0.07777   0.11056   1.91332
   D223       1.01704   0.00035   0.01588   0.06037   0.07624   1.09327
   D224       3.11101   0.00021   0.01580   0.06326   0.07903  -3.09314
   D225      -1.08290   0.00035   0.01564   0.06055   0.07618  -1.00672
         Item               Value     Threshold  Converged?
 Maximum Force            0.006716     0.000450     NO 
 RMS     Force            0.000829     0.000300     NO 
 Maximum Displacement     0.690121     0.001800     NO 
 RMS     Displacement     0.128175     0.001200     NO 
 Predicted change in Energy=-1.164018D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.782987    2.857424    3.529065
      2          6           0       -3.216368    1.422391    3.606320
      3          6           0       -1.949121    1.232738    2.824349
      4          6           0       -1.642986    0.390458    1.766303
      5          7           0       -0.775667    1.965507    3.056507
      6          6           0        0.185702    1.545391    2.170173
      7          7           0       -0.305826    0.579234    1.378621
      8          6           0       -5.087026    1.202275    0.175869
      9          6           0       -5.861741    0.217805   -0.728230
     10          6           0       -5.381066   -1.251687   -0.600922
     11          6           0       -3.911279   -1.374246   -0.990979
     12          8           0       -3.501243   -0.917684   -2.104818
     13          8           0       -3.086457   -1.933090   -0.099129
     14          6           0       -1.961979    4.263667   -3.077868
     15          6           0       -0.585139    3.967154   -3.712062
     16          6           0        0.127772    2.810479   -3.061020
     17          6           0       -0.046492    2.159544   -1.848088
     18          7           0        1.192004    2.133063   -3.677102
     19          6           0        1.615374    1.119208   -2.851228
     20          7           0        0.879093    1.110571   -1.732768
     21          6           0        5.021335    3.709730    1.318074
     22          6           0        5.309292    2.367162    2.021915
     23          6           0        4.307030    1.312465    1.644007
     24          6           0        3.309833    1.291616    0.681819
     25          7           0        4.207081    0.067661    2.287180
     26          6           0        3.164017   -0.637869    1.729271
     27          7           0        2.603993    0.086063    0.753889
     28         30           0        0.803705   -0.458210   -0.272767
     29          1           0       -4.722649    2.924958    4.088604
     30          1           0       -3.983447    3.138930    2.493784
     31          1           0       -3.095915    3.593442    3.957432
     32          1           0       -3.954087    0.727166    3.207178
     33          1           0       -3.065276    1.147075    4.654910
     34          1           0       -2.291109   -0.320041    1.274391
     35          1           0       -0.653941    2.684188    3.757587
     36          1           0        1.181469    1.954226    2.131055
     37          1           0       -4.018591    1.213498   -0.070849
     38          1           0       -5.197601    0.926591    1.232919
     39          1           0       -5.473468    2.224172    0.056573
     40          1           0       -6.933712    0.259639   -0.488140
     41          1           0       -5.749547    0.523074   -1.776074
     42          1           0       -5.515825   -1.628515    0.418882
     43          1           0       -5.975715   -1.879260   -1.278966
     44          1           0       -2.621502    3.391117   -3.145042
     45          1           0       -2.441781    5.100769   -3.597098
     46          1           0       -1.865486    4.540637   -2.021257
     47          1           0       -0.721144    3.747443   -4.781291
     48          1           0        0.039293    4.872010   -3.660466
     49          1           0       -0.783877    2.345167   -1.083981
     50          1           0        1.569813    2.343492   -4.592213
     51          1           0        2.402711    0.421232   -3.080774
     52          1           0        5.068866    3.605356    0.227454
     53          1           0        4.028567    4.094226    1.583557
     54          1           0        5.761674    4.460910    1.612549
     55          1           0        5.292840    2.518423    3.111951
     56          1           0        6.325114    2.028091    1.770745
     57          1           0        3.051019    2.048869   -0.039041
     58          1           0        4.780771   -0.240756    3.061937
     59          1           0        2.819153   -1.606650    2.052979
     60          8           0       -0.954573   -1.160005   -0.975214
     61          1           0       -1.324576   -0.827578   -1.820735
     62          1           0       -1.877104   -1.605203   -0.483314
     63          6           0        2.606575   -2.857541   -1.557646
     64          8           0        2.060052   -1.712055   -1.598929
     65          7           0        1.903867   -3.975955   -1.229652
     66          6           0        0.472093   -3.947467   -0.928761
     67          6           0        0.163326   -3.432960    0.487657
     68          8           0        0.888589   -2.524084    1.018254
     69          7           0       -0.943728   -3.945076    1.063043
     70          1           0       -0.024665   -3.235150   -1.600849
     71          1           0        0.053132   -4.944576   -1.098341
     72          1           0        2.398305   -4.855981   -1.149417
     73          1           0       -1.494254   -4.612516    0.533584
     74          6           0       -1.565155   -3.414828    2.285617
     75          1           0       -1.743430   -4.225987    3.000166
     76          1           0       -0.894303   -2.676963    2.729058
     77          1           0       -2.515154   -2.939888    2.019524
     78          6           0        4.069332   -3.034876   -1.916044
     79          1           0        4.211861   -2.776072   -2.971387
     80          1           0        4.671448   -2.339133   -1.323458
     81          1           0        4.432275   -4.054462   -1.756002
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0964487      0.0729245      0.0661550
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4914.8574303069 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33710 LenP2D=  122274.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.39D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999943    0.002587    0.006837   -0.007744 Ang=   1.22 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97251010     A.U. after   12 cycles
            NFock= 12  Conv=0.70D-08     -V/T= 1.9786
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33710 LenP2D=  122274.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000732458   -0.002496316   -0.000970211
      3        6           0.001055302   -0.000415969   -0.001119792
      4        6          -0.001359631    0.001345310    0.000858854
      5        7          -0.000274609    0.000070848    0.001537778
      6        6           0.000522897    0.001925892   -0.000688530
      7        7          -0.001002027   -0.004712845   -0.002243015
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000147771   -0.000065898   -0.001238432
     10        6          -0.000554415   -0.000491997    0.001172646
     11        6           0.003052140    0.001401854   -0.002843376
     12        8          -0.000582930   -0.002015051   -0.000623776
     13        8          -0.000453462   -0.001285857    0.002956939
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000082321    0.000219870   -0.000038778
     16        6           0.000659410    0.000083762    0.000756122
     17        6           0.001269029    0.000163014   -0.000653370
     18        7          -0.001476897   -0.000243305   -0.000276490
     19        6           0.000975426   -0.000735017    0.000230620
     20        7           0.000178232    0.000151635    0.000512278
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000234670   -0.000149303    0.000012847
     23        6          -0.001636173    0.000883874   -0.000187860
     24        6           0.001719474   -0.000904986   -0.000446476
     25        7           0.001436250    0.000241005    0.001644114
     26        6          -0.000006046   -0.001080728    0.001166505
     27        7          -0.001769987    0.004389868   -0.002322445
     28       30           0.004345230   -0.000101865    0.005922501
     29        1           0.000397880    0.000153134    0.000192861
     30        1           0.001115570   -0.001397071   -0.002332312
     31        1          -0.001166177   -0.002269048    0.001548822
     32        1           0.001285207    0.003203375   -0.001627261
     33        1          -0.001595134    0.001281699    0.003038440
     34        1          -0.001684690   -0.000277747    0.000501006
     35        1           0.000578785    0.000262771    0.000366940
     36        1          -0.000445482    0.000611519    0.000030087
     37        1          -0.000128928    0.000123342   -0.000300633
     38        1          -0.000553886    0.000255460    0.000677646
     39        1          -0.000245283    0.000215662   -0.000325005
     40        1          -0.000033390   -0.000235642    0.000281820
     41        1          -0.000010240    0.000111023   -0.000008586
     42        1           0.000196658    0.000050855    0.000385588
     43        1          -0.000185417    0.000038802   -0.000033119
     44        1           0.000329556    0.000029231   -0.000108184
     45        1           0.000210518    0.000216650   -0.000061207
     46        1          -0.000351463   -0.000059390    0.000441287
     47        1           0.000375391    0.000101049   -0.000074533
     48        1          -0.000473807    0.000155121    0.000192603
     49        1          -0.000611653   -0.000132098   -0.000424793
     50        1           0.000128387   -0.000109373   -0.000100063
     51        1          -0.000101945    0.000376653   -0.000517700
     52        1          -0.000149756    0.000016382   -0.000086061
     53        1          -0.000260633    0.000236556   -0.000026442
     54        1          -0.000285986   -0.000259640    0.000100786
     55        1          -0.000227287    0.000017523   -0.000127275
     56        1           0.000058440   -0.000516450   -0.000133694
     57        1           0.000047095   -0.000004398    0.000073182
     58        1          -0.000340605    0.000189093   -0.000241085
     59        1          -0.000542203    0.000115734   -0.000637720
     60        8          -0.002399499    0.004772523   -0.001481910
     61        1           0.000782489   -0.000436310   -0.000996503
     62        1          -0.002579451   -0.002202273   -0.000975862
     63        6           0.000283052   -0.000741757   -0.001269629
     64        8          -0.000794373   -0.001805643   -0.000933612
     65        7          -0.000713220    0.000537962    0.001307355
     66        6           0.000815114    0.000104427   -0.000246033
     67        6          -0.001401103   -0.000836066    0.001070828
     68        8           0.002456194    0.000431480   -0.002542396
     69        7          -0.001041345    0.000488647   -0.000068152
     70        1          -0.000306674    0.000081660    0.000071489
     71        1          -0.000141671    0.000062432    0.000160011
     72        1          -0.000164234    0.000202359   -0.000479353
     73        1           0.000638910   -0.000160441   -0.000678683
     74        6           0.000859138    0.001102751    0.001647447
     75        1          -0.000842884   -0.000053613    0.000407481
     76        1          -0.000038411    0.000046268   -0.000011661
     77        1           0.000054353   -0.000859112   -0.000116977
     78        6           0.000395276    0.000039771   -0.000039238
     79        1          -0.000065671   -0.000110568   -0.000286971
     80        1          -0.000088170    0.000021987    0.000223792
     81        1          -0.000286582    0.000250813    0.000074869
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005922501 RMS     0.001162442

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.003752330 RMS     0.000702847
 Search for a local minimum.
 Step number  22 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   21   22
 DE= -1.67D-03 DEPred=-1.16D-03 R= 1.44D+00
 TightC=F SS=  1.41D+00  RLast= 9.88D-01 DXNew= 5.0454D+00 2.9636D+00
 Trust test= 1.44D+00 RLast= 9.88D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
 ITU=  1  0
     Eigenvalues ---    0.00107   0.00164   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00234   0.00371   0.00487   0.00517   0.00528
     Eigenvalues ---    0.00536   0.00645   0.00692   0.00728   0.00739
     Eigenvalues ---    0.00773   0.00816   0.00835   0.00973   0.01047
     Eigenvalues ---    0.01182   0.01267   0.01344   0.01383   0.01438
     Eigenvalues ---    0.01445   0.01537   0.01633   0.01675   0.01719
     Eigenvalues ---    0.01829   0.01846   0.01869   0.01877   0.01905
     Eigenvalues ---    0.01950   0.02011   0.02065   0.02191   0.02201
     Eigenvalues ---    0.02256   0.02293   0.02301   0.02386   0.02566
     Eigenvalues ---    0.02756   0.03000   0.03327   0.03610   0.03861
     Eigenvalues ---    0.03992   0.04112   0.04160   0.04307   0.04409
     Eigenvalues ---    0.04633   0.04773   0.04997   0.05272   0.05338
     Eigenvalues ---    0.05367   0.05385   0.05396   0.05406   0.05461
     Eigenvalues ---    0.05473   0.05504   0.05522   0.05543   0.05590
     Eigenvalues ---    0.05868   0.06034   0.06894   0.07044   0.07332
     Eigenvalues ---    0.07489   0.07539   0.07692   0.07964   0.08314
     Eigenvalues ---    0.08415   0.09079   0.09109   0.09282   0.09452
     Eigenvalues ---    0.09610   0.09788   0.09949   0.10394   0.11027
     Eigenvalues ---    0.11533   0.12333   0.12746   0.12876   0.12929
     Eigenvalues ---    0.13068   0.13854   0.14078   0.15167   0.15701
     Eigenvalues ---    0.15850   0.15884   0.15952   0.15960   0.15972
     Eigenvalues ---    0.15978   0.15984   0.15988   0.15992   0.15995
     Eigenvalues ---    0.15997   0.15999   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16001   0.16004   0.16005   0.16007   0.16009
     Eigenvalues ---    0.16018   0.16035   0.16041   0.16071   0.16096
     Eigenvalues ---    0.16177   0.16216   0.16249   0.16402   0.17256
     Eigenvalues ---    0.17549   0.18241   0.20543   0.20885   0.21184
     Eigenvalues ---    0.21675   0.22095   0.22140   0.22384   0.22525
     Eigenvalues ---    0.22796   0.22980   0.23092   0.23457   0.23762
     Eigenvalues ---    0.23857   0.24433   0.24681   0.24829   0.25007
     Eigenvalues ---    0.25158   0.25627   0.27077   0.27535   0.27702
     Eigenvalues ---    0.28078   0.28185   0.28341   0.29507   0.30261
     Eigenvalues ---    0.30689   0.30861   0.31482   0.31518   0.31767
     Eigenvalues ---    0.33358   0.33608   0.33620   0.33650   0.33663
     Eigenvalues ---    0.33757   0.33800   0.33857   0.33859   0.33911
     Eigenvalues ---    0.33926   0.33942   0.33980   0.33985   0.33989
     Eigenvalues ---    0.34024   0.34041   0.34065   0.34081   0.34088
     Eigenvalues ---    0.34127   0.34157   0.34175   0.34177   0.34190
     Eigenvalues ---    0.34233   0.34298   0.34329   0.34615   0.35427
     Eigenvalues ---    0.35501   0.35754   0.35845   0.36221   0.36243
     Eigenvalues ---    0.36344   0.36499   0.36738   0.39114   0.39346
     Eigenvalues ---    0.39908   0.42298   0.42580   0.42736   0.44019
     Eigenvalues ---    0.45274   0.45400   0.45462   0.45507   0.45582
     Eigenvalues ---    0.45599   0.45641   0.46268   0.48805   0.49180
     Eigenvalues ---    0.49574   0.49803   0.49862   0.52257   0.54536
     Eigenvalues ---    0.54890   0.55004   0.56257   0.66673   0.73057
     Eigenvalues ---    0.761621000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    22   21   20   19   18
 RFO step:  Lambda=-5.28761507D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.00080    0.06763    0.25689   -2.24305    1.91773
 Iteration  1 RMS(Cart)=  0.10004699 RMS(Int)=  0.00371222
 Iteration  2 RMS(Cart)=  0.00563821 RMS(Int)=  0.00160921
 Iteration  3 RMS(Cart)=  0.00006731 RMS(Int)=  0.00160912
 New curvilinear step failed, DQL= 2.57D-06 SP=-6.02D-02.
 ITry= 1 IFail=1 DXMaxC= 5.64D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.09111892 RMS(Int)=  0.00326216
 Iteration  2 RMS(Cart)=  0.00482853 RMS(Int)=  0.00160919
 Iteration  3 RMS(Cart)=  0.00004050 RMS(Int)=  0.00160917
 New curvilinear step failed, DQL= 7.39D-05 SP=-1.17D-03.
 ITry= 2 IFail=1 DXMaxC= 5.13D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.08227956 RMS(Int)=  0.00287470
 Iteration  2 RMS(Cart)=  0.00412832 RMS(Int)=  0.00160745
 Iteration  3 RMS(Cart)=  0.00001109 RMS(Int)=  0.00160745
 New curvilinear step failed, DQL= 2.01D-04 SP=-1.06D-04.
 ITry= 3 IFail=1 DXMaxC= 4.62D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.07368949 RMS(Int)=  0.00255124
 Iteration  2 RMS(Cart)=  0.00352808 RMS(Int)=  0.00160365
 New curvilinear step failed, DQL= 2.67D-04 SP=-3.35D-03.
 ITry= 4 IFail=1 DXMaxC= 4.12D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.06544998 RMS(Int)=  0.00228867
 Iteration  2 RMS(Cart)=  0.00302191 RMS(Int)=  0.00159753
 New curvilinear step failed, DQL= 2.81D-04 SP=-7.80D-03.
 ITry= 5 IFail=1 DXMaxC= 3.61D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05771345 RMS(Int)=  0.00208190
 Iteration  2 RMS(Cart)=  0.00260142 RMS(Int)=  0.00158882
 New curvilinear step failed, DQL= 3.03D-04 SP=-9.91D-03.
 ITry= 6 IFail=1 DXMaxC= 3.13D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.05071219 RMS(Int)=  0.00192387
 Iteration  2 RMS(Cart)=  0.00224897 RMS(Int)=  0.00157735
 New curvilinear step failed, DQL= 3.24D-04 SP=-1.07D-02.
 ITry= 7 IFail=1 DXMaxC= 2.91D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04478439 RMS(Int)=  0.00180620
 Iteration  2 RMS(Cart)=  0.00194324 RMS(Int)=  0.00156293
 New curvilinear step failed, DQL= 3.25D-04 SP=-1.10D-02.
 ITry= 8 IFail=1 DXMaxC= 2.70D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04036925 RMS(Int)=  0.00171985
 Iteration  2 RMS(Cart)=  0.00167540 RMS(Int)=  0.00154545
 New curvilinear step failed, DQL= 2.77D-04 SP=-1.24D-02.
 ITry= 9 IFail=1 DXMaxC= 2.49D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.03793382 RMS(Int)=  0.00165625
 Iteration  2 RMS(Cart)=  0.00147069 RMS(Int)=  0.00152479
 New curvilinear step failed, DQL= 1.51D-04 SP=-2.00D-02.
 ITry=10 IFail=1 DXMaxC= 2.28D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.02000955 RMS(Int)=  0.02144195 XScale=  5.02091766
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.02002273 RMS(Int)=  0.01616777 XScale=  2.51545939
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.02008036 RMS(Int)=  0.01095867 XScale=  1.67895063
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.02023979 RMS(Int)=  0.00589523 XScale=  1.25936787
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.02075447 RMS(Int)=  0.00194641 XScale=  1.00494048
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00213023 RMS(Int)=  0.00149852 XScale=  0.99993544
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00004687 RMS(Int)=  0.00149775 XScale=  1.00024091
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00004721 RMS(Int)=  0.00149719 XScale=  1.00054871
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00004767 RMS(Int)=  0.00149684 XScale=  1.00085915
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.00004841 RMS(Int)=  0.00149668 XScale=  1.00117256
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.00005006 RMS(Int)=  0.00149670 XScale=  1.00148866
 RedQX1 iteration     2 Try  6 RMS(Cart)=  0.00000630 RMS(Int)=  0.00149670 XScale=  1.00148452
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00000017 RMS(Int)=  0.00149670 XScale=  1.00148305
 RedQX1 iteration     3 Try  2 RMS(Cart)=  0.00000017 RMS(Int)=  0.00149670 XScale=  1.00148158
 RedQX1 iteration     3 Try  3 RMS(Cart)=  0.00000017 RMS(Int)=  0.00149670 XScale=  1.00148008
 RedQX1 iteration     3 Try  4 RMS(Cart)=  0.00000018 RMS(Int)=  0.00149670 XScale=  1.00147856
 RedQX1 iteration     3 Try  5 RMS(Cart)=  0.00000018 RMS(Int)=  0.00149670 XScale=  1.00147699
 RedQX1 iteration     3 Try  6 RMS(Cart)=  0.00000003 RMS(Int)=  0.00149670 XScale=  1.00147698
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00017980 RMS(Int)=  0.00025062 XScale=  5.16769576
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00017973 RMS(Int)=  0.00019489 XScale=  2.58406245
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00017965 RMS(Int)=  0.00014227 XScale=  1.72283555
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00017956 RMS(Int)=  0.00009786 XScale=  1.29219301
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00017953 RMS(Int)=  0.00007742 XScale=  1.03372873
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000679 RMS(Int)=  0.00007740 XScale=  1.03365386
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48470  -0.00201  -0.00004   0.00000   0.00007   8.48477
    Y1       -0.92766  -0.00090   0.00003   0.00000  -0.00001  -0.92767
    Z1        7.47513  -0.00104  -0.00003   0.00000   0.00005   7.47518
    X8       10.19794  -0.00109   0.00003   0.00000  -0.00004  10.19790
    Y8        1.20636  -0.00033  -0.00005   0.00000   0.00004   1.20640
    Z8        0.50956  -0.00048   0.00003   0.00000  -0.00004   0.50952
   X14        7.21042   0.00020  -0.00002   0.00000   0.00000   7.21043
   Y14       -7.64148   0.00047   0.00003   0.00000  -0.00002  -7.64151
   Z14       -3.84242   0.00053  -0.00002   0.00000   0.00002  -3.84241
   X21       -6.13889  -0.00052   0.00003   0.00000  -0.00004  -6.13892
   Y21       -9.38868   0.00038  -0.00001   0.00000  -0.00001  -9.38868
   Z21        4.09460  -0.00039   0.00002   0.00000  -0.00003   4.09457
    R1        2.91921   0.00354   0.00721   0.00193   0.00564   2.92485
    R2        2.07062   0.00046   0.00139   0.00038   0.00177   2.07238
    R3        2.06252   0.00292   0.00945   0.00127   0.01072   2.07324
    R4        2.06775   0.00298   0.01406   0.00022   0.01428   2.08204
    R5        2.83671   0.00131   0.00550   0.00098   0.00400   2.84071
    R6        2.05874   0.00375   0.01455   0.00157   0.01612   2.07486
    R7        2.06851   0.00362   0.01326   0.00100   0.01426   2.08277
    R8        2.62026   0.00100  -0.00088   0.00268  -0.00104   2.61922
    R9        2.65090  -0.00017   0.00264  -0.00198   0.00126   2.65217
   R10        2.65500  -0.00010  -0.00204  -0.00058  -0.00479   2.65021
   R11        2.04130  -0.00112   0.00037   0.00181   0.00218   2.04348
   R12        2.59541   0.00142   0.00361   0.00029   0.00412   2.59953
   R13        1.91118   0.00023   0.00038  -0.00010   0.00027   1.91145
   R14        2.53647  -0.00085  -0.00102   0.00105  -0.00043   2.53604
   R15        2.03550  -0.00009   0.00072  -0.00153  -0.00082   2.03468
   R16        4.24008  -0.00052   0.02747  -0.02106   0.00338   4.24346
   R17        2.91946  -0.00022   0.00739  -0.00284   0.00826   2.92773
   R18        2.07229   0.00012  -0.00096   0.00120   0.00024   2.07253
   R19        2.07490   0.00075   0.00157   0.00046   0.00203   2.07693
   R20        2.07684  -0.00036  -0.00257   0.00116  -0.00141   2.07544
   R21        2.93161  -0.00046   0.00249  -0.00356   0.00301   2.93462
   R22        2.07742  -0.00006   0.00033  -0.00010   0.00024   2.07766
   R23        2.07333  -0.00005   0.00063  -0.00072  -0.00009   2.07324
   R24        2.88296   0.00014  -0.00158   0.00221   0.00068   2.88364
   R25        2.07023   0.00033   0.00109   0.00068   0.00177   2.07200
   R26        2.07629  -0.00002   0.00088  -0.00046   0.00042   2.07671
   R27        2.40316   0.00144   0.00079   0.00292   0.00352   2.40668
   R28        2.52689   0.00276   0.00528  -0.00143   0.00624   2.53313
   R29        4.15168  -0.00003  -0.01904   0.08447   0.06342   4.21511
   R30        2.47665   0.00066  -0.00921   0.03400   0.02509   2.50174
   R31        2.91889  -0.00019  -0.00034  -0.00073  -0.00160   2.91728
   R32        2.07080   0.00015  -0.00114   0.00071  -0.00042   2.07038
   R33        2.07057   0.00003   0.00153  -0.00096   0.00057   2.07113
   R34        2.07220   0.00047   0.00185   0.00045   0.00230   2.07450
   R35        2.84716  -0.00010  -0.00038   0.00148  -0.00017   2.84699
   R36        2.07872   0.00012   0.00005   0.00041   0.00046   2.07918
   R37        2.07985   0.00002  -0.00010   0.00047   0.00037   2.08022
   R38        2.62209  -0.00016   0.00027   0.00051   0.00076   2.62284
   R39        2.65306   0.00069   0.00021   0.00170   0.00158   2.65464
   R40        2.65259   0.00050   0.00076   0.00320   0.00303   2.65562
   R41        2.03710  -0.00073  -0.00097  -0.00178  -0.00276   2.03434
   R42        2.59740  -0.00038  -0.00139  -0.00076  -0.00271   2.59469
   R43        1.91269   0.00011   0.00018   0.00001   0.00019   1.91287
   R44        2.53050   0.00036   0.00026   0.00039   0.00062   2.53111
   R45        2.03509   0.00038   0.00091  -0.00003   0.00088   2.03596
   R46        4.05229   0.00079   0.00504   0.01472   0.01863   4.07092
   R47        2.91582   0.00015   0.00169  -0.00101   0.00139   2.91721
   R48        2.07234   0.00008  -0.00002   0.00043   0.00041   2.07274
   R49        2.07346  -0.00024  -0.00039  -0.00009  -0.00048   2.07298
   R50        2.06931   0.00037   0.00081   0.00043   0.00124   2.07055
   R51        2.84071   0.00094   0.00153   0.00053   0.00135   2.84206
   R52        2.07984  -0.00012   0.00001   0.00001   0.00002   2.07986
   R53        2.07866   0.00004   0.00023  -0.00021   0.00002   2.07868
   R54        2.61892   0.00127  -0.00027   0.00143  -0.00026   2.61866
   R55        2.65451   0.00018   0.00077  -0.00060   0.00069   2.65520
   R56        2.64343   0.00076   0.00029   0.00168   0.00072   2.64416
   R57        2.03535  -0.00001   0.00001   0.00018   0.00019   2.03553
   R58        2.60276  -0.00003  -0.00003  -0.00064   0.00005   2.60281
   R59        1.91273   0.00013   0.00019   0.00019   0.00038   1.91311
   R60        2.52763   0.00034   0.00085   0.00040   0.00120   2.52883
   R61        2.03727   0.00010   0.00009  -0.00010  -0.00001   2.03727
   R62        4.04917  -0.00071  -0.01152   0.00904  -0.00373   4.04544
   R63        3.81588  -0.00020  -0.00814   0.00640  -0.00412   3.81176
   R64        4.18703   0.00129   0.00325   0.00628   0.00959   4.19662
   R65        4.60635  -0.00010  -0.00022  -0.05762  -0.05810   4.54825
   R66        1.85378   0.00170   0.00126   0.00068   0.00080   1.85457
   R67        2.14734  -0.00313   0.00391  -0.02069  -0.01718   2.13016
   R68        2.39968   0.00035   0.00089   0.00060   0.00171   2.40139
   R69        2.57185   0.00108   0.00228   0.00226   0.00469   2.57654
   R70        2.86563  -0.00001   0.00042  -0.00102  -0.00060   2.86503
   R71        2.76528   0.00086   0.00192   0.00240   0.00425   2.76954
   R72        1.91353   0.00032   0.00106   0.00009   0.00114   1.91468
   R73        2.90692   0.00003   0.00174  -0.00090   0.00092   2.90784
   R74        2.07515  -0.00029   0.00008  -0.00105  -0.00097   2.07418
   R75        2.06881  -0.00001   0.00022   0.00015   0.00037   2.06918
   R76        2.41530  -0.00236  -0.00130  -0.00152  -0.00282   2.41248
   R77        2.54861   0.00055   0.00134  -0.00022   0.00112   2.54973
   R78        1.91682   0.00056   0.00046   0.00028   0.00074   1.91756
   R79        2.77862   0.00174   0.00244   0.00375   0.00619   2.78480
   R80        2.07039   0.00026   0.00017   0.00116   0.00133   2.07171
   R81        2.06242  -0.00003   0.00000  -0.00039  -0.00040   2.06203
   R82        2.06912   0.00019   0.00047   0.00044   0.00090   2.07002
   R83        2.07099   0.00030   0.00114   0.00032   0.00146   2.07245
   R84        2.06816   0.00017   0.00034   0.00013   0.00046   2.06862
   R85        2.06741   0.00037   0.00130   0.00012   0.00142   2.06883
    A1        1.92439   0.00001  -0.00103   0.00055  -0.00048   1.92391
    A2        1.93307   0.00040   0.00347   0.00092   0.00438   1.93745
    A3        1.95516  -0.00007  -0.00118   0.00027  -0.00092   1.95424
    A4        1.88702  -0.00017  -0.00021   0.00054   0.00033   1.88735
    A5        1.87246   0.00004  -0.00047  -0.00139  -0.00186   1.87060
    A6        1.88933  -0.00023  -0.00066  -0.00096  -0.00164   1.88769
    A7        1.98336   0.00005   0.00229  -0.00003  -0.00014   1.98323
    A8        1.90298   0.00020  -0.00420   0.00806   0.00432   1.90731
    A9        1.90942   0.00033   0.00246  -0.00418  -0.00085   1.90857
   A10        1.87567   0.00008   0.00259   0.00498   0.00826   1.88393
   A11        1.92914  -0.00055  -0.00286  -0.00646  -0.00861   1.92053
   A12        1.85869  -0.00012  -0.00053  -0.00208  -0.00290   1.85579
   A13        2.29245   0.00193   0.00313   0.00773   0.00873   2.30118
   A14        2.15793  -0.00120  -0.00214  -0.00745  -0.00783   2.15010
   A15        1.83269  -0.00072  -0.00132  -0.00035  -0.00078   1.83191
   A16        1.91672   0.00108   0.00191   0.00126   0.00291   1.91963
   A17        2.23263   0.00045   0.00157   0.00568   0.00732   2.23995
   A18        2.13384  -0.00153  -0.00337  -0.00694  -0.01025   2.12359
   A19        1.89542  -0.00033  -0.00057  -0.00080  -0.00191   1.89351
   A20        2.19766  -0.00050  -0.00186  -0.00315  -0.00477   2.19288
   A21        2.19011   0.00083   0.00243   0.00396   0.00663   2.19674
   A22        1.92242   0.00087  -0.00098   0.00236  -0.00005   1.92237
   A23        2.15848  -0.00012   0.00242  -0.00222   0.00098   2.15946
   A24        2.20226  -0.00075  -0.00162  -0.00007  -0.00091   2.20135
   A25        1.85721  -0.00087   0.00084  -0.00269  -0.00009   1.85712
   A26        2.22887  -0.00108   0.00512   0.01080   0.01216   2.24103
   A27        2.19662   0.00196  -0.00914  -0.00982  -0.01395   2.18267
   A28        1.94275  -0.00061  -0.00154   0.00054  -0.00099   1.94176
   A29        1.93146   0.00055  -0.00179   0.00109  -0.00069   1.93077
   A30        1.93122  -0.00019   0.00063  -0.00019   0.00044   1.93166
   A31        1.89366  -0.00010   0.00002  -0.00277  -0.00273   1.89093
   A32        1.88457   0.00023   0.00110  -0.00063   0.00048   1.88505
   A33        1.87816   0.00013   0.00170   0.00191   0.00361   1.88177
   A34        1.98254  -0.00102   0.00263  -0.01050  -0.00215   1.98040
   A35        1.91445  -0.00007  -0.00324  -0.00170  -0.00647   1.90798
   A36        1.90745   0.00050   0.00088   0.00550   0.00460   1.91204
   A37        1.89680   0.00049  -0.00121   0.00425   0.00128   1.89807
   A38        1.88625   0.00026   0.00085  -0.00041  -0.00127   1.88498
   A39        1.87309  -0.00012  -0.00002   0.00362   0.00447   1.87756
   A40        1.93224   0.00088  -0.00128  -0.00441  -0.00617   1.92607
   A41        1.94346  -0.00049   0.00052  -0.00311  -0.00200   1.94146
   A42        1.89939  -0.00006   0.00420   0.00128   0.00519   1.90457
   A43        1.90592  -0.00002  -0.00132   0.00462   0.00329   1.90920
   A44        1.89415  -0.00049  -0.00051   0.00025   0.00007   1.89422
   A45        1.88748   0.00015  -0.00168   0.00155  -0.00020   1.88729
   A46        2.10103   0.00181  -0.00333   0.00017  -0.00571   2.09531
   A47        2.04578  -0.00132   0.00030  -0.00022   0.00111   2.04689
   A48        2.13569  -0.00051   0.00236  -0.00022   0.00374   2.13944
   A49        1.79355  -0.00079  -0.00444   0.00371  -0.00149   1.79207
   A50        1.84328   0.00151   0.00047   0.00591   0.00713   1.85041
   A51        1.93741   0.00031   0.00193   0.00047   0.00241   1.93982
   A52        1.92029   0.00032   0.00071   0.00107   0.00178   1.92208
   A53        1.94515  -0.00053  -0.00243  -0.00077  -0.00320   1.94195
   A54        1.89202  -0.00036  -0.00063  -0.00184  -0.00246   1.88956
   A55        1.88930   0.00012   0.00025   0.00134   0.00158   1.89088
   A56        1.87778   0.00013   0.00014  -0.00033  -0.00019   1.87758
   A57        1.97332   0.00048  -0.00120   0.00925   0.00572   1.97903
   A58        1.90417  -0.00032  -0.00085  -0.00241  -0.00356   1.90060
   A59        1.90568   0.00006   0.00120  -0.00197   0.00087   1.90655
   A60        1.90200   0.00017   0.00274  -0.00077   0.00270   1.90470
   A61        1.92032  -0.00060  -0.00219  -0.00498  -0.00648   1.91385
   A62        1.85451   0.00019   0.00039   0.00037   0.00045   1.85497
   A63        2.31646   0.00022   0.00007   0.00915   0.00859   2.32506
   A64        2.14063  -0.00026  -0.00130  -0.00749  -0.00883   2.13180
   A65        1.82600   0.00004   0.00116  -0.00159   0.00028   1.82628
   A66        1.91726   0.00017  -0.00080   0.00128  -0.00037   1.91689
   A67        2.24561   0.00009  -0.00077   0.00270   0.00232   2.24793
   A68        2.11940  -0.00025   0.00166  -0.00372  -0.00167   2.11773
   A69        1.90258  -0.00026  -0.00128   0.00110  -0.00059   1.90199
   A70        2.18878  -0.00002   0.00013  -0.00145  -0.00111   2.18767
   A71        2.19153   0.00028   0.00118   0.00038   0.00173   2.19326
   A72        1.91480   0.00050   0.00166   0.00096   0.00247   1.91728
   A73        2.18363  -0.00036  -0.00225  -0.00059  -0.00284   2.18080
   A74        2.18443  -0.00014   0.00072  -0.00067   0.00010   2.18453
   A75        1.86411  -0.00045  -0.00076  -0.00172  -0.00178   1.86233
   A76        2.18886   0.00052  -0.00023   0.00628   0.00553   2.19439
   A77        2.20524  -0.00008   0.00011  -0.00018  -0.00040   2.20484
   A78        1.94202  -0.00010  -0.00061   0.00048  -0.00012   1.94189
   A79        1.94271  -0.00030  -0.00034  -0.00037  -0.00071   1.94200
   A80        1.92628  -0.00005  -0.00054  -0.00035  -0.00088   1.92540
   A81        1.88936   0.00021   0.00088   0.00042   0.00130   1.89066
   A82        1.87909   0.00003  -0.00005  -0.00061  -0.00065   1.87844
   A83        1.88207   0.00022   0.00071   0.00042   0.00113   1.88320
   A84        1.95129   0.00076   0.00002   0.00233   0.00024   1.95153
   A85        1.90647  -0.00026   0.00037  -0.00170  -0.00172   1.90475
   A86        1.91389  -0.00047  -0.00118  -0.00004   0.00036   1.91425
   A87        1.91287  -0.00024   0.00053  -0.00179  -0.00058   1.91229
   A88        1.91989   0.00006   0.00054   0.00234   0.00351   1.92340
   A89        1.85701   0.00011  -0.00032  -0.00136  -0.00196   1.85504
   A90        2.29808  -0.00021  -0.00198  -0.00006  -0.00442   2.29365
   A91        2.15806   0.00021   0.00174  -0.00007   0.00379   2.16185
   A92        1.82695   0.00000   0.00023  -0.00007   0.00030   1.82726
   A93        1.91800  -0.00022   0.00009   0.00040   0.00079   1.91879
   A94        2.24849   0.00010  -0.00027  -0.00106  -0.00148   2.24702
   A95        2.11666   0.00013   0.00019   0.00069   0.00072   2.11738
   A96        1.89901   0.00000  -0.00029  -0.00034  -0.00084   1.89817
   A97        2.18973   0.00018   0.00027   0.00125   0.00194   2.19167
   A98        2.19347  -0.00016  -0.00032  -0.00083  -0.00078   2.19269
   A99        1.91263   0.00049   0.00013   0.00195   0.00124   1.91387
   A100       2.19068  -0.00021  -0.00031  -0.00069  -0.00055   2.19013
   A101       2.17899  -0.00028   0.00030  -0.00116  -0.00030   2.17869
   A102       1.86790  -0.00026  -0.00019  -0.00198  -0.00146   1.86644
   A103       2.23721  -0.00143  -0.00460   0.01165   0.00242   2.23964
   A104       2.16965   0.00165   0.00544  -0.01202  -0.00263   2.16701
   A105       1.75201  -0.00034  -0.00976  -0.00088  -0.00672   1.74529
   A106       1.51615  -0.00076  -0.00729  -0.00192  -0.00583   1.51032
   A107       1.55694   0.00084  -0.00309   0.01421   0.01365   1.57059
   A108       2.95458   0.00082   0.00843   0.00753   0.01383   2.96840
   A109       1.59007   0.00043   0.01388  -0.00979   0.00212   1.59219
   A110       1.68188   0.00115   0.00195   0.01167   0.01704   1.69892
   A111       1.61884  -0.00113   0.00785  -0.00076   0.00389   1.62272
   A112       1.55735  -0.00040  -0.00389  -0.00487  -0.01011   1.54723
   A113       2.93825  -0.00010  -0.00419   0.00952   0.00346   2.94172
   A114       2.97735  -0.00001  -0.01398  -0.00703  -0.01832   2.95903
   A115       1.52490   0.00101   0.00177   0.00608   0.00304   1.52794
   A116       1.50300  -0.00099  -0.00107  -0.00600  -0.01045   1.49255
   A117       1.65976  -0.00098   0.00878  -0.01943  -0.01137   1.64839
   A118       1.49073   0.00097  -0.00558  -0.00833  -0.01248   1.47824
   A119       1.38742   0.00029  -0.00024   0.01576   0.01533   1.40276
   A120       2.10655  -0.00038  -0.01491   0.00040  -0.01498   2.09157
   A121       2.33574  -0.00048   0.01917  -0.04347  -0.02735   2.30839
   A122       1.77181   0.00062  -0.00311   0.01525   0.01718   1.78899
   A123       2.06150   0.00092   0.01119  -0.02792  -0.01792   2.04358
   A124       2.91333  -0.00159  -0.00498   0.01563   0.00198   2.91530
   A125       2.12576   0.00096  -0.00125  -0.00211  -0.00305   2.12271
   A126       2.10942  -0.00015   0.00106   0.00213   0.00307   2.11249
   A127       2.04757  -0.00079   0.00034  -0.00014   0.00011   2.04768
   A128       2.39654  -0.00091   0.00618  -0.01441  -0.00832   2.38822
   A129       2.13975   0.00110  -0.00128   0.00139   0.00033   2.14009
   A130       2.07278  -0.00057   0.00048  -0.00028   0.00042   2.07321
   A131       2.06961  -0.00053   0.00058  -0.00084  -0.00005   2.06956
   A132       1.97386  -0.00029   0.00202  -0.00040   0.00117   1.97503
   A133       1.90646   0.00036  -0.00336   0.00358   0.00029   1.90675
   A134       1.90166  -0.00030   0.00019  -0.00201  -0.00161   1.90005
   A135       1.82946  -0.00016   0.00311  -0.00170   0.00148   1.83094
   A136       1.95029   0.00035  -0.00233  -0.00067  -0.00283   1.94746
   A137       1.89957   0.00008   0.00032   0.00148   0.00175   1.90131
   A138       2.10156  -0.00023   0.00047  -0.00233  -0.00244   2.09913
   A139       2.01595   0.00189  -0.00005   0.00506   0.00530   2.02125
   A140       2.16361  -0.00166  -0.00052  -0.00298  -0.00318   2.16043
   A141       1.94232   0.00306   0.00475   0.03625   0.03986   1.98218
   A142       2.06312   0.00017  -0.00154   0.00155   0.00020   2.06332
   A143       2.17088  -0.00082   0.00006   0.00052   0.00078   2.17166
   A144       2.02853   0.00066  -0.00002   0.00302   0.00320   2.03173
   A145       1.92203   0.00000  -0.00124   0.00388   0.00264   1.92467
   A146       1.89849  -0.00026  -0.00046  -0.00385  -0.00431   1.89418
   A147       1.89763  -0.00007   0.00280  -0.00938  -0.00660   1.89103
   A148       1.91302  -0.00026  -0.00053  -0.00228  -0.00280   1.91022
   A149       1.91608   0.00076  -0.00034   0.01201   0.01166   1.92774
   A150       1.91644  -0.00018  -0.00024  -0.00058  -0.00083   1.91561
   A151       1.90226   0.00016  -0.00047   0.00135   0.00089   1.90315
   A152       1.90539  -0.00010  -0.00025  -0.00051  -0.00075   1.90463
   A153       1.97623   0.00000   0.00053  -0.00062  -0.00008   1.97615
   A154       1.87521   0.00007   0.00044   0.00083   0.00127   1.87648
   A155       1.89421  -0.00003   0.00040  -0.00062  -0.00021   1.89400
   A156       1.90788  -0.00009  -0.00067  -0.00036  -0.00103   1.90685
    D1        3.10758   0.00026  -0.00028   0.00082   0.00045   3.10803
    D2        1.01594  -0.00002  -0.00211  -0.01115  -0.01304   1.00290
    D3       -1.01038  -0.00017  -0.00053  -0.01086  -0.01152  -1.02190
    D4        1.01965   0.00021  -0.00160  -0.00079  -0.00247   1.01718
    D5       -1.07199  -0.00007  -0.00342  -0.01276  -0.01596  -1.08795
    D6       -3.09830  -0.00022  -0.00185  -0.01247  -0.01444  -3.11275
    D7       -1.09166   0.00027  -0.00232  -0.00039  -0.00280  -1.09446
    D8        3.09989  -0.00002  -0.00415  -0.01236  -0.01629   3.08360
    D9        1.07357  -0.00017  -0.00257  -0.01207  -0.01478   1.05880
   D10       -2.09165  -0.00001   0.05718  -0.06346  -0.00591  -2.09756
   D11        1.03057   0.00036   0.07845  -0.06886   0.01007   1.04064
   D12        0.01540   0.00033   0.05531  -0.04987   0.00527   0.02068
   D13        3.13763   0.00070   0.07659  -0.05526   0.02125  -3.12431
   D14        2.03702  -0.00006   0.05454  -0.05294   0.00189   2.03891
   D15       -1.12394   0.00032   0.07581  -0.05834   0.01787  -1.10607
   D16       -3.13521  -0.00081   0.00551   0.00515   0.01165  -3.12356
   D17        0.00809  -0.00018   0.01509   0.00237   0.01699   0.02507
   D18        0.02307  -0.00112  -0.01303   0.00988  -0.00210   0.02097
   D19       -3.11681  -0.00049  -0.00345   0.00710   0.00323  -3.11358
   D20       -3.14043   0.00025  -0.00928  -0.00586  -0.01622   3.12654
   D21        0.00037   0.00010  -0.00845   0.00367  -0.00537  -0.00499
   D22       -0.01389   0.00057   0.00678  -0.00995  -0.00378  -0.01767
   D23        3.12691   0.00042   0.00761  -0.00042   0.00707   3.13398
   D24       -0.02387   0.00127   0.01450  -0.00610   0.00734  -0.01653
   D25       -3.13336   0.00087  -0.00134   0.05084   0.04704  -3.08632
   D26        3.11613   0.00069   0.00571  -0.00349   0.00244   3.11857
   D27        0.00664   0.00029  -0.01013   0.05345   0.04214   0.04878
   D28       -0.00060   0.00022   0.00210   0.00660   0.00871   0.00812
   D29        3.13322  -0.00002   0.00167   0.01649   0.01857  -3.13139
   D30       -3.14140   0.00037   0.00127  -0.00288  -0.00217   3.13962
   D31       -0.00758   0.00013   0.00084   0.00701   0.00769   0.00011
   D32        0.01473  -0.00091  -0.00998  -0.00037  -0.00978   0.00495
   D33        3.12498  -0.00059   0.00760  -0.05546  -0.04718   3.07780
   D34       -3.11885  -0.00067  -0.00945  -0.01056  -0.01994  -3.13879
   D35       -0.00859  -0.00035   0.00812  -0.06565  -0.05734  -0.06594
   D36        1.84324  -0.00009   0.01721   0.05441   0.07082   1.91406
   D37       -2.76613   0.00095   0.01862   0.06597   0.08739  -2.67874
   D38        0.22613   0.00090   0.00951   0.05258   0.06443   0.29057
   D39       -1.76128  -0.00014  -0.05199   0.06685   0.01583  -1.74545
   D40       -1.26430  -0.00007   0.01572   0.06046   0.07665  -1.18765
   D41       -1.26036  -0.00050  -0.00253   0.12157   0.11700  -1.14336
   D42        0.41346   0.00054  -0.00112   0.13313   0.13356   0.54703
   D43       -2.87746   0.00049  -0.01023   0.11974   0.11061  -2.76685
   D44        1.41831  -0.00055  -0.07173   0.13401   0.06201   1.48032
   D45        1.91529  -0.00048  -0.00403   0.12762   0.12283   2.03812
   D46        1.05758   0.00012   0.00957  -0.00068   0.00881   1.06639
   D47       -3.09922  -0.00001   0.00747  -0.00371   0.00426  -3.09496
   D48       -1.05016   0.00011   0.00610   0.00291   0.00858  -1.04158
   D49       -1.04971   0.00028   0.01174   0.00172   0.01339  -1.03632
   D50        1.07668   0.00015   0.00965  -0.00131   0.00883   1.08551
   D51        3.12574   0.00026   0.00827   0.00531   0.01316   3.13889
   D52       -3.12996  -0.00012   0.01036  -0.00124   0.00905  -3.12091
   D53       -1.00357  -0.00024   0.00827  -0.00427   0.00449  -0.99908
   D54        1.04549  -0.00013   0.00689   0.00235   0.00882   1.05430
   D55       -1.05362  -0.00036   0.00114  -0.01577  -0.01441  -1.06803
   D56        1.07025  -0.00011  -0.00103  -0.01506  -0.01584   1.05441
   D57       -3.13399  -0.00026  -0.00009  -0.01423  -0.01400   3.13520
   D58        3.09339   0.00006   0.00439  -0.00958  -0.00560   3.08779
   D59       -1.06592   0.00031   0.00222  -0.00888  -0.00703  -1.07295
   D60        1.01303   0.00016   0.00315  -0.00804  -0.00519   1.00784
   D61        1.06600  -0.00020   0.00460  -0.01590  -0.01087   1.05512
   D62       -3.09332   0.00005   0.00243  -0.01520  -0.01230  -3.10562
   D63       -1.01437  -0.00010   0.00337  -0.01436  -0.01046  -1.02483
   D64       -0.91685   0.00019   0.02694  -0.03729  -0.00921  -0.92606
   D65        2.18591  -0.00024   0.01593  -0.04468  -0.02853   2.15739
   D66       -3.06265   0.00023   0.02795  -0.03360  -0.00485  -3.06750
   D67        0.04011  -0.00019   0.01694  -0.04099  -0.02416   0.01595
   D68        1.16667   0.00034   0.03100  -0.03820  -0.00650   1.16017
   D69       -2.01375  -0.00008   0.01999  -0.04558  -0.02582  -2.03957
   D70        2.85238   0.00033  -0.00881   0.01828   0.00412   2.85650
   D71       -0.24832   0.00079   0.00286   0.02606   0.02457  -0.22375
   D72       -2.85179  -0.00055   0.00316  -0.03833  -0.02987  -2.88166
   D73        0.25014  -0.00093  -0.00811  -0.04587  -0.04994   0.20020
   D74        0.05125   0.00039   0.01216   0.03562   0.04697   0.09822
   D75        0.19493   0.00055   0.00290   0.05613   0.05769   0.25261
   D76       -1.03238  -0.00026  -0.00289  -0.00521  -0.00768  -1.04005
   D77        1.08699   0.00005  -0.00081  -0.00175  -0.00296   1.08402
   D78        3.10689   0.00014  -0.00015  -0.00373  -0.00391   3.10298
   D79       -3.12667  -0.00022  -0.00385  -0.00391  -0.00732  -3.13399
   D80       -1.00731   0.00009  -0.00176  -0.00045  -0.00261  -1.00991
   D81        1.01260   0.00017  -0.00110  -0.00243  -0.00356   1.00904
   D82        1.07507  -0.00026  -0.00293  -0.00370  -0.00620   1.06887
   D83       -3.08876   0.00005  -0.00084  -0.00025  -0.00149  -3.09024
   D84       -1.06885   0.00014  -0.00018  -0.00222  -0.00244  -1.07129
   D85       -0.29569   0.00014   0.02521   0.06667   0.09062  -0.20507
   D86        2.82903   0.00027   0.02553   0.07288   0.09628   2.92531
   D87       -2.41627   0.00010   0.02514   0.06416   0.08942  -2.32685
   D88        0.70845   0.00023   0.02546   0.07036   0.09507   0.80353
   D89        1.84007   0.00011   0.02437   0.06695   0.09097   1.93104
   D90       -1.31839   0.00024   0.02469   0.07316   0.09663  -1.22177
   D91        3.12039   0.00031   0.00558   0.00975   0.01273   3.13312
   D92        0.02464   0.00002   0.00239   0.00320   0.00520   0.02985
   D93       -0.00652   0.00019   0.00528   0.00441   0.00786   0.00134
   D94       -3.10227  -0.00009   0.00209  -0.00213   0.00034  -3.10193
   D95       -3.12363  -0.00014  -0.00171  -0.01273  -0.01218  -3.13581
   D96       -0.00712  -0.00018  -0.00001  -0.01136  -0.01056  -0.01768
   D97        0.00515  -0.00004  -0.00146  -0.00790  -0.00782  -0.00267
   D98        3.12166  -0.00008   0.00023  -0.00653  -0.00620   3.11547
   D99        0.00557  -0.00028  -0.00723   0.00072  -0.00508   0.00049
   D100      -2.90948  -0.00020  -0.00438  -0.01862  -0.02035  -2.92983
   D101       3.10521  -0.00001  -0.00437   0.00689   0.00191   3.10711
   D102       0.19016   0.00007  -0.00152  -0.01244  -0.01336   0.17679
   D103      -0.00190  -0.00013  -0.00304   0.00877   0.00502   0.00312
   D104       3.11353  -0.00016   0.00068  -0.00338  -0.00400   3.10953
   D105      -3.11836  -0.00009  -0.00475   0.00743   0.00344  -3.11492
   D106      -0.00293  -0.00011  -0.00102  -0.00472  -0.00558  -0.00851
   D107      -0.00219   0.00025   0.00620  -0.00579  -0.00001  -0.00220
   D108       2.91012   0.00027   0.00338   0.01486   0.01636   2.92648
   D109      -3.11760   0.00028   0.00256   0.00637   0.00908  -3.10852
   D110      -0.20530   0.00030  -0.00026   0.02702   0.02546  -0.17984
   D111      -0.46770  -0.00022  -0.03272   0.00421  -0.03015  -0.49785
   D112      -2.00306   0.00038  -0.02455   0.00417  -0.02642  -2.02947
   D113       1.09780   0.00042  -0.03455   0.01849  -0.01590   1.08190
   D114       2.75702  -0.00057  -0.02585  -0.00118  -0.02784   2.72918
   D115       2.50450  -0.00021  -0.02736  -0.03412  -0.06292   2.44158
   D116       2.94414  -0.00010  -0.02925  -0.01892  -0.04842   2.89571
   D117       1.40878   0.00050  -0.02108  -0.01896  -0.04469   1.36409
   D118      -1.77355   0.00054  -0.03108  -0.00464  -0.03418  -1.80772
   D119      -0.11432  -0.00045  -0.02238  -0.02431  -0.04612  -0.16044
   D120      -0.36685  -0.00009  -0.02389  -0.05725  -0.08119  -0.44804
   D121      -1.06050  -0.00010  -0.00080  -0.00461  -0.00584  -1.06633
   D122       3.10249  -0.00012  -0.00175  -0.00272  -0.00409   3.09840
   D123       1.07371   0.00015  -0.00091  -0.00009  -0.00096   1.07276
   D124       1.04850  -0.00010  -0.00033  -0.00399  -0.00475   1.04375
   D125      -1.07170  -0.00013  -0.00128  -0.00210  -0.00300  -1.07470
   D126      -3.10047   0.00015  -0.00043   0.00053   0.00013  -3.10034
   D127       3.13768  -0.00005  -0.00001  -0.00393  -0.00437   3.13332
   D128       1.01748  -0.00007  -0.00096  -0.00204  -0.00262   1.01487
   D129      -1.01129   0.00021  -0.00012   0.00059   0.00052  -1.01078
   D130       0.15909   0.00015  -0.01062   0.01236   0.00313   0.16221
   D131      -2.96475   0.00038  -0.01034   0.02994   0.02178  -2.94297
   D132       2.27559   0.00017  -0.00976   0.01052   0.00071   2.27630
   D133      -0.84825   0.00040  -0.00948   0.02811   0.01937  -0.82888
   D134      -1.97168   0.00020  -0.00952   0.00918   0.00003  -1.97165
   D135       1.18767   0.00043  -0.00924   0.02676   0.01869   1.20635
   D136      -3.10409  -0.00014  -0.00510   0.01652   0.01405  -3.09004
   D137       0.02879   0.00001  -0.00145   0.02148   0.02047   0.04926
   D138       0.02222  -0.00034  -0.00537   0.00139  -0.00192   0.02030
   D139      -3.12808  -0.00019  -0.00173   0.00635   0.00450  -3.12359
   D140       3.10688   0.00020   0.00353  -0.01529  -0.01428   3.09260
   D141       0.01065  -0.00029  -0.00467  -0.01704  -0.02251  -0.01187
   D142      -0.02100   0.00038   0.00370  -0.00171   0.00024  -0.02077
   D143      -3.11724  -0.00011  -0.00450  -0.00346  -0.00800  -3.12523
   D144      -0.01540   0.00018   0.00514  -0.00054   0.00296  -0.01244
   D145       2.99018   0.00005   0.01244  -0.02061  -0.01011   2.98006
   D146       3.13413   0.00004   0.00183  -0.00504  -0.00288   3.13125
   D147      -0.14347  -0.00009   0.00913  -0.02512  -0.01596  -0.15943
   D148       0.01238  -0.00028  -0.00064   0.00147   0.00162   0.01401
   D149      -3.08586  -0.00048  -0.00982  -0.00106  -0.00920  -3.09506
   D150       3.10849   0.00022   0.00753   0.00329   0.00995   3.11844
   D151       0.01025   0.00002  -0.00165   0.00076  -0.00088   0.00938
   D152       0.00166   0.00007  -0.00269  -0.00057  -0.00278  -0.00112
   D153      -3.01054   0.00048  -0.01009   0.01625   0.00912  -3.00141
   D154       3.10026   0.00027   0.00640   0.00195   0.00795   3.10821
   D155       0.08806   0.00068  -0.00099   0.01877   0.01986   0.10792
   D156      -1.47217   0.00081   0.02175  -0.02045   0.00046  -1.47171
   D157       0.27505   0.00035   0.01100  -0.02195  -0.00761   0.26744
   D158      -2.61512   0.00014   0.02689  -0.12310  -0.09204  -2.70716
   D159       1.82718   0.00000   0.00723  -0.02674  -0.01824   1.80893
   D160      -3.06604   0.00026   0.00681  -0.01109  -0.00272  -3.06876
   D161       1.51180   0.00047   0.03039  -0.04256  -0.01450   1.49730
   D162      -3.02416   0.00001   0.01964  -0.04405  -0.02257  -3.04672
   D163       0.36885  -0.00020   0.03553  -0.14521  -0.10700   0.26186
   D164      -1.47203  -0.00034   0.01587  -0.04884  -0.03320  -1.50524
   D165      -0.08206  -0.00008   0.01545  -0.03320  -0.01768  -0.09974
   D166       1.92503  -0.00026  -0.02958   0.02848   0.00088   1.92591
   D167      -0.74692   0.00039  -0.05006   0.11319   0.06989  -0.67703
   D168       0.17346   0.00003  -0.01964   0.02870   0.00693   0.18039
   D169      -2.49849   0.00068  -0.04011   0.11341   0.07593  -2.42255
   D170       3.06492   0.00029  -0.03520   0.12965   0.09123  -3.12703
   D171       0.39298   0.00094  -0.05568   0.21436   0.16023   0.55321
   D172      -1.38810   0.00058  -0.01667   0.03459   0.01733  -1.37078
   D173       2.22313   0.00123  -0.03715   0.11929   0.08633   2.30946
   D174      -2.76691   0.00009  -0.01559   0.01765   0.00194  -2.76497
   D175       0.84433   0.00074  -0.03607   0.10235   0.07094   0.91527
   D176       0.39705   0.00005   0.06401  -0.02260   0.04100   0.43804
   D177       3.08383  -0.00003  -0.00486  -0.01052  -0.01363   3.07020
   D178       1.40120  -0.00118  -0.00692  -0.02233  -0.03109   1.37010
   D179      -1.58153  -0.00119   0.00251  -0.01154  -0.01040  -1.59193
   D180      -0.10910   0.00002  -0.00539  -0.01456  -0.01944  -0.12855
   D181       1.95216  -0.00025   0.01300   0.02028   0.03291   1.98507
   D182      -1.02281  -0.00024   0.00763   0.05796   0.06538  -0.95743
   D183      -2.81632  -0.00106   0.00395   0.01889   0.02664  -2.78967
   D184       0.39682  -0.00108   0.01638   0.00540   0.01965   0.41647
   D185      -1.27971   0.00014   0.00610   0.02521   0.03054  -1.24917
   D186      -2.68692   0.00046  -0.02898   0.02762   0.00426  -2.68266
   D187       0.11498  -0.00020  -0.01338  -0.04721  -0.05545   0.05953
   D188       2.34322  -0.00034   0.02551  -0.07132  -0.05191   2.29131
   D189      -0.38996   0.00037   0.00987   0.00215   0.01293  -0.37703
   D190       0.89761  -0.00154  -0.00750   0.01244   0.00423   0.90183
   D191      -2.27665  -0.00092   0.00220   0.00806   0.00961  -2.26705
   D192       0.02197   0.00043   0.01620  -0.01419   0.00178   0.02375
   D193      -3.06999   0.00048   0.00100  -0.02071  -0.01977  -3.08975
   D194      -3.08806  -0.00018   0.00684  -0.01001  -0.00347  -3.09153
   D195       0.10317  -0.00013  -0.00836  -0.01652  -0.02501   0.07816
   D196      -1.11774  -0.00033  -0.00367   0.00081  -0.00294  -1.12069
   D197       0.92571  -0.00021  -0.00354   0.00229  -0.00134   0.92437
   D198       3.05542  -0.00040  -0.00421   0.00105  -0.00325   3.05217
   D199       1.99260   0.00030   0.00548  -0.00341   0.00215   1.99475
   D200      -2.24713   0.00041   0.00561  -0.00193   0.00376  -2.24337
   D201      -0.11742   0.00022   0.00494  -0.00318   0.00185  -0.11558
   D202      -1.36200   0.00048  -0.00499  -0.01141  -0.01620  -1.37820
   D203       0.66804   0.00033  -0.00209  -0.01144  -0.01347   0.65457
   D204       2.74110   0.00046  -0.00354  -0.00874  -0.01214   2.72896
   D205       1.73004   0.00043   0.01021  -0.00489   0.00531   1.73535
   D206      -2.52310   0.00028   0.01311  -0.00492   0.00804  -2.51506
   D207      -0.45005   0.00041   0.01165  -0.00222   0.00938  -0.44067
   D208       0.60043   0.00059  -0.00349   0.05696   0.05339   0.65381
   D209      -2.60749   0.00056  -0.00422   0.05278   0.04840  -2.55909
   D210      -1.47472   0.00041  -0.00252   0.05390   0.05146  -1.42326
   D211       1.60055   0.00038  -0.00325   0.04973   0.04647   1.64702
   D212       2.75392   0.00024  -0.00349   0.05348   0.04995   2.80387
   D213      -0.45399   0.00021  -0.00422   0.04930   0.04496  -0.40903
   D214       1.07684  -0.00124   0.00222  -0.05479  -0.05300   1.02384
   D215      -1.99257  -0.00135   0.00299  -0.05057  -0.04793  -2.04050
   D216      -0.01171  -0.00075   0.00118   0.02464   0.02583   0.01411
   D217      -2.92770  -0.00089   0.00473  -0.00319   0.00165  -2.92605
   D218       3.06091  -0.00071   0.00045   0.02035   0.02069   3.08160
   D219       0.14493  -0.00085   0.00401  -0.00749  -0.00349   0.14144
   D220      -2.26988   0.00050   0.00853   0.05296   0.06152  -2.20835
   D221      -0.17311   0.00002   0.00688   0.05013   0.05702  -0.11609
   D222       1.91332  -0.00039   0.00800   0.04172   0.04975   1.96306
   D223       1.09327   0.00041   0.01231   0.02579   0.03808   1.13136
   D224      -3.09314  -0.00006   0.01065   0.02296   0.03358  -3.05956
   D225      -1.00672  -0.00047   0.01177   0.01455   0.02631  -0.98041
         Item               Value     Threshold  Converged?
 Maximum Force            0.003752     0.000450     NO 
 RMS     Force            0.000699     0.000300     NO 
 Maximum Displacement     0.566527     0.001800     NO 
 RMS     Displacement     0.101276     0.001200     NO 
 Predicted change in Energy=-1.006483D-03
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.856651    2.713644    3.559222
      2          6           0       -3.172631    1.332644    3.702484
      3          6           0       -1.934974    1.183209    2.862484
      4          6           0       -1.604926    0.293504    1.852246
      5          7           0       -0.813342    2.016829    2.991848
      6          6           0        0.144299    1.601884    2.095713
      7          7           0       -0.306229    0.552625    1.390669
      8          6           0       -5.127039    1.154456    0.147581
      9          6           0       -5.878974    0.136849   -0.746487
     10          6           0       -5.377658   -1.323246   -0.577937
     11          6           0       -3.905975   -1.427487   -0.967579
     12          8           0       -3.514500   -0.999294   -2.101312
     13          8           0       -3.060447   -1.916068   -0.049293
     14          6           0       -2.023156    4.355869   -2.989583
     15          6           0       -0.679093    4.019447   -3.670396
     16          6           0        0.044125    2.864426   -3.028052
     17          6           0       -0.136695    2.173349   -1.838045
     18          7           0        1.143838    2.238716   -3.638384
     19          6           0        1.586170    1.222793   -2.827510
     20          7           0        0.826919    1.156607   -1.726069
     21          6           0        4.946906    3.737270    1.418756
     22          6           0        5.258994    2.382873    2.090533
     23          6           0        4.281211    1.316665    1.679418
     24          6           0        3.294152    1.303784    0.706893
     25          7           0        4.182912    0.061714    2.303642
     26          6           0        3.150155   -0.641555    1.724061
     27          7           0        2.596103    0.091938    0.751542
     28         30           0        0.803092   -0.446193   -0.286900
     29          1           0       -4.768758    2.749965    4.167004
     30          1           0       -4.133544    2.909052    2.515769
     31          1           0       -3.205089    3.533775    3.900893
     32          1           0       -3.879038    0.545771    3.406917
     33          1           0       -2.933343    1.151842    4.763047
     34          1           0       -2.209681   -0.498052    1.431468
     35          1           0       -0.722833    2.786538    3.641835
     36          1           0        1.110063    2.067053    1.994655
     37          1           0       -4.057281    1.180474   -0.092774
     38          1           0       -5.236713    0.892150    1.209235
     39          1           0       -5.531072    2.166114    0.007897
     40          1           0       -6.952731    0.171081   -0.512680
     41          1           0       -5.760392    0.416472   -1.800717
     42          1           0       -5.506497   -1.670791    0.453968
     43          1           0       -5.960759   -1.982358   -1.236157
     44          1           0       -2.705333    3.498999   -3.016822
     45          1           0       -2.505873    5.195648   -3.502384
     46          1           0       -1.876561    4.647490   -1.941448
     47          1           0       -0.864872    3.784662   -4.729129
     48          1           0       -0.034280    4.911578   -3.660657
     49          1           0       -0.894927    2.311343   -1.086413
     50          1           0        1.531280    2.484984   -4.540541
     51          1           0        2.400393    0.556930   -3.060806
     52          1           0        5.009058    3.663041    0.326189
     53          1           0        3.942939    4.090972    1.683893
     54          1           0        5.667649    4.496916    1.741237
     55          1           0        5.230562    2.507353    3.183713
     56          1           0        6.284939    2.073737    1.841844
     57          1           0        3.041484    2.069457   -0.007370
     58          1           0        4.754309   -0.258470    3.075578
     59          1           0        2.813412   -1.620543    2.024785
     60          8           0       -0.933721   -1.192730   -0.990356
     61          1           0       -1.304866   -0.854179   -1.833432
     62          1           0       -1.844134   -1.610258   -0.473185
     63          6           0        2.656091   -2.763576   -1.650504
     64          8           0        2.073077   -1.634583   -1.667705
     65          7           0        1.989304   -3.907603   -1.325571
     66          6           0        0.559533   -3.924461   -1.004036
     67          6           0        0.256225   -3.457252    0.430366
     68          8           0        0.927814   -2.505468    0.952726
     69          7           0       -0.794145   -4.052852    1.032427
     70          1           0        0.034757   -3.209524   -1.650735
     71          1           0        0.166175   -4.928870   -1.192113
     72          1           0        2.506369   -4.777798   -1.281051
     73          1           0       -1.300843   -4.765982    0.518251
     74          6           0       -1.413626   -3.582493    2.284092
     75          1           0       -1.456379   -4.397230    3.016387
     76          1           0       -0.810430   -2.765854    2.683996
     77          1           0       -2.421777   -3.220425    2.055054
     78          6           0        4.119027   -2.893689   -2.026641
     79          1           0        4.243288   -2.618257   -3.080887
     80          1           0        4.706776   -2.188454   -1.430412
     81          1           0        4.513566   -3.904690   -1.882561
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0956453      0.0728766      0.0659982
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4906.1819205617 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33680 LenP2D=  122017.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.42D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999923   -0.008469   -0.001868   -0.008910 Ang=  -1.42 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97325346     A.U. after   12 cycles
            NFock= 12  Conv=0.72D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33680 LenP2D=  122017.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000035095    0.001479326   -0.000113834
      3        6           0.001525289   -0.000147690   -0.000006971
      4        6          -0.000257379    0.003972206   -0.000634173
      5        7          -0.001639627    0.000960551    0.000561204
      6        6           0.001721579    0.001140323    0.000678402
      7        7          -0.001918254   -0.005703909   -0.001929571
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000314871   -0.000100605    0.000804966
     10        6          -0.000666192   -0.000348615    0.001728041
     11        6           0.000306264   -0.000905101   -0.000067276
     12        8          -0.001756424   -0.000008475    0.000494351
     13        8           0.000641313   -0.000770557   -0.000253186
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000651393    0.000230586   -0.000160392
     16        6           0.000669813    0.000590764   -0.000044835
     17        6          -0.000168247   -0.000773367   -0.001144430
     18        7          -0.000759481   -0.000864915    0.000476613
     19        6          -0.000088609    0.000731140   -0.000267297
     20        7           0.000378915    0.000204812    0.000512275
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000057007   -0.000029343    0.000204228
     23        6          -0.001243173    0.000459604    0.000458283
     24        6           0.001235661   -0.000587690   -0.000930252
     25        7           0.001666695   -0.000306966    0.001169074
     26        6          -0.000352697   -0.001181319    0.000255793
     27        7          -0.002347450    0.003783414   -0.001594271
     28       30           0.003915759    0.000018648    0.006044692
     29        1           0.000006260   -0.000081150   -0.000135386
     30        1          -0.000550799    0.000287104    0.000857882
     31        1           0.000413556    0.001422960   -0.001084283
     32        1          -0.000985283   -0.001320344    0.000432308
     33        1           0.000374363   -0.000303138   -0.000896377
     34        1           0.000268204   -0.001074259    0.000590546
     35        1           0.000074092   -0.000060977    0.000036760
     36        1          -0.000225862   -0.000107230   -0.000076310
     37        1          -0.000372843    0.000259763   -0.000295673
     38        1          -0.000383749   -0.000046056    0.000237960
     39        1           0.000221899   -0.000010379   -0.000228812
     40        1          -0.000015520   -0.000112493   -0.000216214
     41        1           0.000175302   -0.000114730    0.000279873
     42        1           0.000032223   -0.000306685   -0.000140844
     43        1           0.000164098   -0.000376443    0.000012694
     44        1           0.000207002    0.000270394   -0.000126833
     45        1          -0.000104307    0.000291046   -0.000119909
     46        1          -0.000054595    0.000183419   -0.000234692
     47        1          -0.000055395    0.000185402   -0.000074603
     48        1          -0.000153478    0.000063016    0.000170172
     49        1           0.000275406   -0.000057431    0.000337083
     50        1          -0.000046104   -0.000095198    0.000069515
     51        1           0.000059070    0.000327782   -0.000107917
     52        1          -0.000033949    0.000035278    0.000053188
     53        1          -0.000118150    0.000128028    0.000003159
     54        1          -0.000047329    0.000058032   -0.000061525
     55        1          -0.000135364    0.000154564   -0.000133122
     56        1           0.000123208   -0.000432197   -0.000357583
     57        1           0.000226055    0.000047546    0.000184524
     58        1           0.000008691    0.000018556   -0.000127833
     59        1          -0.000260329   -0.000094576   -0.000386175
     60        8          -0.002411890    0.002384170   -0.001892122
     61        1           0.001126531    0.001228992   -0.000446948
     62        1          -0.000056569   -0.001702256   -0.001058844
     63        6           0.002137083    0.000503224   -0.000550162
     64        8          -0.002373341   -0.001287083   -0.001112910
     65        7          -0.000680688   -0.000603616    0.001234964
     66        6          -0.000300276    0.001099554   -0.000038486
     67        6          -0.000439805   -0.001307113   -0.000306703
     68        8           0.001536376    0.000376112   -0.001501790
     69        7          -0.001080152    0.001372629    0.000269527
     70        1           0.000027626   -0.000027569    0.000315665
     71        1          -0.000115672   -0.000101283   -0.000124845
     72        1           0.000121240   -0.000126844   -0.000063917
     73        1           0.000447987   -0.000313188   -0.000326181
     74        6           0.000035016    0.000415366   -0.000852329
     75        1           0.000135754   -0.000324088   -0.000155231
     76        1           0.000253721   -0.000175447    0.000136139
     77        1           0.000195834   -0.000802868    0.001006916
     78        6           0.000091705    0.000110786   -0.000628609
     79        1          -0.000120246    0.000055779    0.000188815
     80        1          -0.000017421    0.000040279    0.000058118
     81        1           0.000123505   -0.000079932    0.000105745
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.006044692 RMS     0.000984637

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002807072 RMS     0.000562789
 Search for a local minimum.
 Step number  23 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   22   23
 DE= -7.43D-04 DEPred=-1.01D-03 R= 7.39D-01
 TightC=F SS=  1.41D+00  RLast= 5.84D-01 DXNew= 5.0454D+00 1.7524D+00
 Trust test= 7.39D-01 RLast= 5.84D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0  1  0
     Eigenvalues ---    0.00123   0.00160   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00237   0.00376   0.00463   0.00510   0.00528
     Eigenvalues ---    0.00570   0.00638   0.00694   0.00737   0.00744
     Eigenvalues ---    0.00765   0.00811   0.00831   0.00979   0.00998
     Eigenvalues ---    0.01182   0.01276   0.01332   0.01385   0.01430
     Eigenvalues ---    0.01450   0.01540   0.01635   0.01669   0.01729
     Eigenvalues ---    0.01809   0.01847   0.01860   0.01872   0.01908
     Eigenvalues ---    0.01962   0.02035   0.02074   0.02159   0.02204
     Eigenvalues ---    0.02252   0.02295   0.02307   0.02421   0.02545
     Eigenvalues ---    0.02766   0.03040   0.03347   0.03653   0.03842
     Eigenvalues ---    0.03985   0.04064   0.04147   0.04320   0.04426
     Eigenvalues ---    0.04658   0.04761   0.05009   0.05289   0.05325
     Eigenvalues ---    0.05371   0.05380   0.05398   0.05411   0.05458
     Eigenvalues ---    0.05473   0.05498   0.05515   0.05536   0.05582
     Eigenvalues ---    0.05942   0.06069   0.06893   0.07021   0.07262
     Eigenvalues ---    0.07485   0.07498   0.07734   0.07811   0.08372
     Eigenvalues ---    0.08380   0.09017   0.09075   0.09277   0.09500
     Eigenvalues ---    0.09622   0.09958   0.10026   0.10483   0.10920
     Eigenvalues ---    0.11601   0.12348   0.12706   0.12880   0.12901
     Eigenvalues ---    0.13177   0.13788   0.14151   0.14811   0.15560
     Eigenvalues ---    0.15880   0.15891   0.15949   0.15957   0.15984
     Eigenvalues ---    0.15987   0.15989   0.15993   0.15995   0.15997
     Eigenvalues ---    0.15999   0.15999   0.15999   0.16000   0.16001
     Eigenvalues ---    0.16002   0.16004   0.16005   0.16009   0.16013
     Eigenvalues ---    0.16016   0.16035   0.16059   0.16072   0.16099
     Eigenvalues ---    0.16153   0.16204   0.16217   0.16296   0.17130
     Eigenvalues ---    0.17916   0.18412   0.20650   0.20818   0.21361
     Eigenvalues ---    0.21763   0.22109   0.22227   0.22471   0.22505
     Eigenvalues ---    0.22786   0.22988   0.23112   0.23475   0.23749
     Eigenvalues ---    0.23853   0.24436   0.24575   0.24763   0.24987
     Eigenvalues ---    0.25170   0.25477   0.27044   0.27324   0.27680
     Eigenvalues ---    0.28048   0.28194   0.28350   0.29308   0.30330
     Eigenvalues ---    0.30531   0.30706   0.31507   0.31529   0.31734
     Eigenvalues ---    0.33467   0.33608   0.33620   0.33650   0.33662
     Eigenvalues ---    0.33757   0.33801   0.33841   0.33861   0.33911
     Eigenvalues ---    0.33933   0.33936   0.33984   0.33986   0.34007
     Eigenvalues ---    0.34023   0.34039   0.34070   0.34081   0.34087
     Eigenvalues ---    0.34127   0.34157   0.34176   0.34180   0.34188
     Eigenvalues ---    0.34243   0.34297   0.34322   0.34615   0.35422
     Eigenvalues ---    0.35552   0.35754   0.36059   0.36234   0.36337
     Eigenvalues ---    0.36426   0.36507   0.37224   0.39135   0.39298
     Eigenvalues ---    0.41086   0.42316   0.42560   0.42814   0.43839
     Eigenvalues ---    0.45280   0.45375   0.45466   0.45527   0.45584
     Eigenvalues ---    0.45607   0.45643   0.46260   0.48793   0.49151
     Eigenvalues ---    0.49597   0.49815   0.49882   0.52256   0.54517
     Eigenvalues ---    0.54891   0.55069   0.56299   0.66707   0.73068
     Eigenvalues ---    0.761071000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    23   22   21   20   19
 RFO step:  Lambda=-3.35409705D-04.
 DidBck=T Rises=F RFO-DIIS coefs:    0.78920    0.24128   -0.68862    0.64964    0.00850
 Iteration  1 RMS(Cart)=  0.04348585 RMS(Int)=  0.00098318
 Iteration  2 RMS(Cart)=  0.00118283 RMS(Int)=  0.00060377
 New curvilinear step failed, DQL= 1.26D-05 SP=-1.32D-01.
 ITry= 1 IFail=1 DXMaxC= 2.25D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04283166 RMS(Int)=  0.00098225
 Iteration  2 RMS(Cart)=  0.00118105 RMS(Int)=  0.00059494
 New curvilinear step failed, DQL= 1.25D-05 SP=-1.38D-01.
 ITry= 2 IFail=1 DXMaxC= 2.30D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04248168 RMS(Int)=  0.00098556
 Iteration  2 RMS(Cart)=  0.00119614 RMS(Int)=  0.00058628
 New curvilinear step failed, DQL= 1.29D-05 SP=-1.38D-01.
 ITry= 3 IFail=1 DXMaxC= 2.35D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04244014 RMS(Int)=  0.00099283
 Iteration  2 RMS(Cart)=  0.00122861 RMS(Int)=  0.00057772
 New curvilinear step failed, DQL= 1.38D-05 SP=-1.34D-01.
 ITry= 4 IFail=1 DXMaxC= 2.39D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04270436 RMS(Int)=  0.00100403
 Iteration  2 RMS(Cart)=  0.00128031 RMS(Int)=  0.00056917
 New curvilinear step failed, DQL= 1.52D-05 SP=-1.28D-01.
 ITry= 5 IFail=1 DXMaxC= 2.44D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04326558 RMS(Int)=  0.00101936
 Iteration  2 RMS(Cart)=  0.00135349 RMS(Int)=  0.00056060
 New curvilinear step failed, DQL= 1.72D-05 SP=-1.22D-01.
 ITry= 6 IFail=1 DXMaxC= 2.49D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04411010 RMS(Int)=  0.00103925
 Iteration  2 RMS(Cart)=  0.00145048 RMS(Int)=  0.00055196
 New curvilinear step failed, DQL= 1.98D-05 SP=-1.13D-01.
 ITry= 7 IFail=1 DXMaxC= 2.54D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04522031 RMS(Int)=  0.00106431
 Iteration  2 RMS(Cart)=  0.00157324 RMS(Int)=  0.00054327
 New curvilinear step failed, DQL= 2.30D-05 SP=-1.07D-01.
 ITry= 8 IFail=1 DXMaxC= 2.59D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04657592 RMS(Int)=  0.00109525
 Iteration  2 RMS(Cart)=  0.00172336 RMS(Int)=  0.00053453
 New curvilinear step failed, DQL= 2.68D-05 SP=-9.98D-02.
 ITry= 9 IFail=1 DXMaxC= 2.64D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.04815498 RMS(Int)=  0.00113283
 Iteration  2 RMS(Cart)=  0.00190136 RMS(Int)=  0.00052579
 New curvilinear step failed, DQL= 3.13D-05 SP=-9.19D-02.
 ITry=10 IFail=1 DXMaxC= 2.69D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00875270 RMS(Int)=  0.01020381 XScale=  5.00168006
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00875126 RMS(Int)=  0.00765885 XScale=  2.49906552
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00874600 RMS(Int)=  0.00512170 XScale=  1.66511720
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00873439 RMS(Int)=  0.00261839 XScale=  1.24855118
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00870835 RMS(Int)=  0.00064720 XScale=  0.99935734
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00041857 RMS(Int)=  0.00058323 XScale=  1.00056671
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00000480 RMS(Int)=  0.00058321 XScale=  1.00066761
 RedQX1 iteration     2 Try  2 RMS(Cart)=  0.00000479 RMS(Int)=  0.00058319 XScale=  1.00076832
 RedQX1 iteration     2 Try  3 RMS(Cart)=  0.00000478 RMS(Int)=  0.00058318 XScale=  1.00086872
 RedQX1 iteration     2 Try  4 RMS(Cart)=  0.00000476 RMS(Int)=  0.00058318 XScale=  1.00096858
 RedQX1 iteration     2 Try  5 RMS(Cart)=  0.00000474 RMS(Int)=  0.00058318 XScale=  1.00106716
 RedQX1 iteration     2 Try  6 RMS(Cart)=  0.00000034 RMS(Int)=  0.00058318 XScale=  1.00106545
 RedQX1 iteration     3 Try  1 RMS(Cart)=  0.00000000 RMS(Int)=  0.00058318 XScale=  1.00106537
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00003107 RMS(Int)=  0.00004343 XScale=  5.15160104
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00003104 RMS(Int)=  0.00003366 XScale=  2.57581200
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00003100 RMS(Int)=  0.00002439 XScale=  1.71720531
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00003094 RMS(Int)=  0.00001648 XScale=  1.28788614
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00003082 RMS(Int)=  0.00001279 XScale=  1.03025768
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000047 RMS(Int)=  0.00001279 XScale=  1.03020928
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48477  -0.00081  -0.00006   0.00000  -0.00030   8.48447
    Y1       -0.92767   0.00230   0.00002   0.00000   0.00006  -0.92761
    Z1        7.47518  -0.00140  -0.00004   0.00000  -0.00020   7.47499
    X8       10.19790  -0.00083   0.00004   0.00000   0.00018  10.19808
    Y8        1.20640  -0.00152  -0.00005   0.00000  -0.00019   1.20620
    Z8        0.50952   0.00138   0.00004   0.00000   0.00017   0.50969
   X14        7.21043   0.00041  -0.00001   0.00000  -0.00005   7.21038
   Y14       -7.64151   0.00036   0.00003   0.00000   0.00012  -7.64139
   Z14       -3.84241  -0.00059  -0.00002   0.00000  -0.00008  -3.84249
   X21       -6.13892   0.00025   0.00003   0.00000   0.00016  -6.13876
   Y21       -9.38868   0.00057   0.00000   0.00000   0.00001  -9.38867
   Z21        4.09457  -0.00043   0.00002   0.00000   0.00012   4.09468
    R1        2.92485   0.00106   0.00197   0.00667   0.00946   2.93431
    R2        2.07238  -0.00010   0.00009   0.00014   0.00023   2.07261
    R3        2.07324  -0.00104  -0.00015   0.00190   0.00176   2.07499
    R4        2.08204  -0.00181  -0.00084   0.00049  -0.00035   2.08168
    R5        2.84071   0.00008   0.00055   0.00155   0.00280   2.84351
    R6        2.07486  -0.00164   0.00025   0.00060   0.00085   2.07572
    R7        2.08277  -0.00102  -0.00034   0.00320   0.00285   2.08562
    R8        2.61922   0.00131   0.00047   0.00168   0.00245   2.62167
    R9        2.65217  -0.00004   0.00059   0.00035   0.00136   2.65352
   R10        2.65021   0.00248   0.00083   0.00460   0.00553   2.65573
   R11        2.04348  -0.00108  -0.00159  -0.00162  -0.00320   2.04028
   R12        2.59953  -0.00056   0.00012  -0.00041   0.00017   2.59971
   R13        1.91145   0.00007   0.00017   0.00017   0.00035   1.91180
   R14        2.53604  -0.00049  -0.00111  -0.00033  -0.00157   2.53447
   R15        2.03468   0.00023   0.00024   0.00049   0.00073   2.03541
   R16        4.24346  -0.00033  -0.01203   0.00705  -0.00439   4.23908
   R17        2.92773  -0.00238  -0.00122  -0.00559  -0.00721   2.92051
   R18        2.07253   0.00028   0.00007   0.00095   0.00102   2.07355
   R19        2.07693   0.00021   0.00039   0.00021   0.00060   2.07753
   R20        2.07544   0.00014   0.00017   0.00047   0.00064   2.07608
   R21        2.93462  -0.00106  -0.00002  -0.00382  -0.00464   2.92998
   R22        2.07766  -0.00010  -0.00015  -0.00005  -0.00019   2.07747
   R23        2.07324  -0.00018  -0.00022  -0.00023  -0.00045   2.07278
   R24        2.88364   0.00003  -0.00129   0.00068  -0.00085   2.88278
   R25        2.07200  -0.00028  -0.00035   0.00006  -0.00029   2.07171
   R26        2.07671  -0.00018  -0.00010  -0.00017  -0.00027   2.07644
   R27        2.40668  -0.00023  -0.00038   0.00058   0.00071   2.40739
   R28        2.53313  -0.00135   0.00402  -0.00102   0.00270   2.53583
   R29        4.21511  -0.00076  -0.05864   0.05021  -0.00812   4.20698
   R30        2.50174  -0.00080  -0.01957   0.01608  -0.00398   2.49777
   R31        2.91728  -0.00018   0.00106  -0.00048   0.00084   2.91812
   R32        2.07038   0.00034   0.00010   0.00083   0.00093   2.07131
   R33        2.07113  -0.00023  -0.00009  -0.00026  -0.00036   2.07078
   R34        2.07450  -0.00024  -0.00020  -0.00016  -0.00036   2.07414
   R35        2.84699  -0.00048   0.00015  -0.00084  -0.00046   2.84652
   R36        2.07918   0.00007  -0.00038   0.00037   0.00000   2.07917
   R37        2.08022   0.00002  -0.00037   0.00020  -0.00017   2.08006
   R38        2.62284  -0.00102   0.00012  -0.00230  -0.00238   2.62047
   R39        2.65464   0.00058  -0.00060   0.00185   0.00147   2.65610
   R40        2.65562  -0.00019  -0.00054   0.00078   0.00026   2.65588
   R41        2.03434   0.00040   0.00000   0.00042   0.00041   2.03475
   R42        2.59469   0.00040   0.00015   0.00079   0.00122   2.59591
   R43        1.91287   0.00001  -0.00002   0.00008   0.00006   1.91293
   R44        2.53111  -0.00008   0.00023   0.00014   0.00033   2.53145
   R45        2.03596   0.00007   0.00026   0.00032   0.00057   2.03654
   R46        4.07092  -0.00058   0.00570   0.00049   0.00631   4.07723
   R47        2.91721  -0.00004   0.00040  -0.00038  -0.00015   2.91706
   R48        2.07274  -0.00006   0.00007   0.00003   0.00009   2.07284
   R49        2.07298  -0.00010  -0.00013  -0.00026  -0.00039   2.07259
   R50        2.07055  -0.00006   0.00005   0.00029   0.00035   2.07089
   R51        2.84206   0.00075   0.00033   0.00258   0.00315   2.84522
   R52        2.07986  -0.00011  -0.00037  -0.00011  -0.00048   2.07937
   R53        2.07868   0.00003   0.00020  -0.00005   0.00016   2.07883
   R54        2.61866   0.00132   0.00025   0.00264   0.00329   2.62194
   R55        2.65520  -0.00043   0.00012  -0.00057  -0.00059   2.65460
   R56        2.64416   0.00095   0.00058   0.00248   0.00345   2.64761
   R57        2.03553  -0.00001  -0.00020   0.00006  -0.00014   2.03539
   R58        2.60281  -0.00014  -0.00027  -0.00096  -0.00142   2.60139
   R59        1.91311  -0.00009  -0.00002  -0.00005  -0.00007   1.91304
   R60        2.52883  -0.00048  -0.00028   0.00013  -0.00013   2.52870
   R61        2.03727  -0.00011   0.00006  -0.00015  -0.00008   2.03718
   R62        4.04544   0.00001  -0.00632   0.00267  -0.00326   4.04218
   R63        3.81176  -0.00038  -0.01059   0.00474  -0.00574   3.80602
   R64        4.19662   0.00148   0.01227   0.01488   0.02709   4.22371
   R65        4.54825  -0.00101   0.04669  -0.03897   0.00785   4.55611
   R66        1.85457   0.00004   0.00134  -0.00005   0.00103   1.85560
   R67        2.13016  -0.00241   0.00886  -0.01657  -0.00809   2.12207
   R68        2.40139  -0.00067   0.00005  -0.00041  -0.00050   2.40088
   R69        2.57654  -0.00025   0.00007   0.00083   0.00093   2.57747
   R70        2.86503  -0.00004  -0.00004  -0.00033  -0.00037   2.86466
   R71        2.76954  -0.00011   0.00001   0.00118   0.00138   2.77092
   R72        1.91468  -0.00016  -0.00008   0.00014   0.00006   1.91473
   R73        2.90784  -0.00064   0.00073  -0.00164  -0.00099   2.90685
   R74        2.07418  -0.00010  -0.00039  -0.00025  -0.00064   2.07354
   R75        2.06918  -0.00005  -0.00024   0.00002  -0.00022   2.06896
   R76        2.41248  -0.00100  -0.00059  -0.00151  -0.00224   2.41024
   R77        2.54973   0.00015   0.00157   0.00075   0.00232   2.55204
   R78        1.91756   0.00011   0.00093  -0.00003   0.00090   1.91846
   R79        2.78480   0.00036  -0.00050   0.00392   0.00342   2.78823
   R80        2.07171  -0.00038  -0.00039  -0.00044  -0.00083   2.07088
   R81        2.06203   0.00014   0.00021  -0.00002   0.00019   2.06222
   R82        2.07002   0.00008   0.00015   0.00028   0.00043   2.07045
   R83        2.07245  -0.00020  -0.00013   0.00022   0.00010   2.07255
   R84        2.06862   0.00002   0.00005   0.00006   0.00010   2.06872
   R85        2.06883  -0.00015  -0.00001   0.00017   0.00016   2.06899
    A1        1.92391   0.00025   0.00046   0.00024   0.00070   1.92461
    A2        1.93745  -0.00024  -0.00246   0.00140  -0.00105   1.93640
    A3        1.95424  -0.00016  -0.00128  -0.00003  -0.00130   1.95294
    A4        1.88735   0.00003   0.00107  -0.00064   0.00044   1.88779
    A5        1.87060   0.00010   0.00238   0.00019   0.00257   1.87318
    A6        1.88769   0.00004   0.00001  -0.00125  -0.00122   1.88647
    A7        1.98323   0.00072   0.00169   0.00213   0.00463   1.98786
    A8        1.90731   0.00041   0.00033   0.00222   0.00219   1.90949
    A9        1.90857  -0.00057  -0.00180   0.00074  -0.00118   1.90739
   A10        1.88393  -0.00059   0.00120  -0.00386  -0.00291   1.88102
   A11        1.92053  -0.00012  -0.00163  -0.00054  -0.00245   1.91808
   A12        1.85579   0.00011   0.00020  -0.00090  -0.00059   1.85520
   A13        2.30118   0.00113   0.00113   0.00484   0.00551   2.30668
   A14        2.15010  -0.00088  -0.00023  -0.00417  -0.00405   2.14604
   A15        1.83191  -0.00024  -0.00066  -0.00068  -0.00145   1.83045
   A16        1.91963  -0.00046   0.00042  -0.00009   0.00049   1.92012
   A17        2.23995  -0.00017   0.00226  -0.00223  -0.00012   2.23982
   A18        2.12359   0.00063  -0.00258   0.00234  -0.00041   2.12317
   A19        1.89351   0.00048   0.00000   0.00054   0.00082   1.89433
   A20        2.19288  -0.00027  -0.00074  -0.00169  -0.00254   2.19034
   A21        2.19674  -0.00021   0.00073   0.00116   0.00178   2.19852
   A22        1.92237   0.00081   0.00074   0.00171   0.00214   1.92452
   A23        2.15946  -0.00029   0.00070  -0.00023   0.00057   2.16003
   A24        2.20135  -0.00052  -0.00138  -0.00150  -0.00280   2.19855
   A25        1.85712  -0.00058  -0.00056  -0.00188  -0.00191   1.85520
   A26        2.24103  -0.00101  -0.02019   0.00661  -0.01257   2.22846
   A27        2.18267   0.00163   0.01980  -0.00613   0.01558   2.19825
   A28        1.94176  -0.00066  -0.00176  -0.00106  -0.00282   1.93894
   A29        1.93077   0.00053   0.00183   0.00109   0.00292   1.93369
   A30        1.93166  -0.00031  -0.00045   0.00003  -0.00042   1.93124
   A31        1.89093  -0.00007   0.00022  -0.00211  -0.00189   1.88903
   A32        1.88505   0.00043  -0.00064   0.00063   0.00000   1.88504
   A33        1.88177   0.00011   0.00082   0.00145   0.00227   1.88403
   A34        1.98040  -0.00088  -0.00053  -0.00645  -0.00838   1.97202
   A35        1.90798   0.00048   0.00013   0.00039   0.00094   1.90892
   A36        1.91204  -0.00008  -0.00056   0.00201   0.00185   1.91389
   A37        1.89807   0.00024  -0.00068   0.00290   0.00264   1.90071
   A38        1.88498   0.00049   0.00175   0.00155   0.00372   1.88870
   A39        1.87756  -0.00023  -0.00007  -0.00010  -0.00039   1.87716
   A40        1.92607   0.00097   0.00139   0.00284   0.00362   1.92970
   A41        1.94146  -0.00007  -0.00033  -0.00172  -0.00213   1.93933
   A42        1.90457  -0.00075  -0.00049  -0.00135  -0.00143   1.90314
   A43        1.90920  -0.00043  -0.00180   0.00143  -0.00018   1.90902
   A44        1.89422  -0.00002   0.00120  -0.00233  -0.00095   1.89327
   A45        1.88729   0.00029   0.00006   0.00104   0.00102   1.88831
   A46        2.09531   0.00211   0.00490   0.00668   0.01200   2.10732
   A47        2.04689  -0.00161  -0.00287  -0.00457  -0.00805   2.03884
   A48        2.13944  -0.00048  -0.00210  -0.00170  -0.00359   2.13585
   A49        1.79207  -0.00009   0.00030   0.00168   0.00245   1.79451
   A50        1.85041   0.00048  -0.00122   0.00063  -0.00111   1.84929
   A51        1.93982   0.00003  -0.00011   0.00046   0.00034   1.94016
   A52        1.92208  -0.00001   0.00048   0.00058   0.00106   1.92314
   A53        1.94195  -0.00002  -0.00045  -0.00125  -0.00170   1.94026
   A54        1.88956  -0.00012   0.00038  -0.00223  -0.00185   1.88771
   A55        1.89088  -0.00003  -0.00057   0.00011  -0.00046   1.89043
   A56        1.87758   0.00014   0.00028   0.00235   0.00264   1.88022
   A57        1.97903  -0.00087  -0.00092  -0.00196  -0.00260   1.97643
   A58        1.90060   0.00024   0.00091   0.00170   0.00272   1.90332
   A59        1.90655   0.00036  -0.00065  -0.00017  -0.00110   1.90544
   A60        1.90470   0.00020   0.00129   0.00142   0.00263   1.90732
   A61        1.91385   0.00014  -0.00067  -0.00297  -0.00373   1.91012
   A62        1.85497  -0.00002   0.00011   0.00230   0.00245   1.85742
   A63        2.32506  -0.00113  -0.00279  -0.00113  -0.00411   2.32095
   A64        2.13180   0.00108   0.00270   0.00147   0.00448   2.13629
   A65        1.82628   0.00006   0.00015  -0.00034  -0.00033   1.82595
   A66        1.91689   0.00026   0.00014   0.00110   0.00143   1.91833
   A67        2.24793  -0.00024  -0.00004  -0.00069  -0.00082   2.24711
   A68        2.11773  -0.00004  -0.00007  -0.00050  -0.00067   2.11706
   A69        1.90199  -0.00022  -0.00025  -0.00014  -0.00030   1.90170
   A70        2.18767   0.00010  -0.00029  -0.00043  -0.00076   2.18691
   A71        2.19326   0.00010   0.00041   0.00049   0.00087   2.19413
   A72        1.91728  -0.00026   0.00016  -0.00030  -0.00027   1.91700
   A73        2.18080   0.00027  -0.00009  -0.00005  -0.00007   2.18073
   A74        2.18453   0.00000   0.00004   0.00004   0.00015   2.18468
   A75        1.86233   0.00016  -0.00026  -0.00032  -0.00054   1.86179
   A76        2.19439  -0.00017   0.00089   0.00058   0.00131   2.19570
   A77        2.20484  -0.00006  -0.00426   0.00095  -0.00242   2.20242
   A78        1.94189  -0.00002  -0.00046   0.00003  -0.00043   1.94146
   A79        1.94200  -0.00018   0.00023  -0.00121  -0.00098   1.94102
   A80        1.92540  -0.00002  -0.00022   0.00010  -0.00012   1.92527
   A81        1.89066   0.00010  -0.00002   0.00055   0.00053   1.89119
   A82        1.87844   0.00002  -0.00037  -0.00023  -0.00060   1.87784
   A83        1.88320   0.00012   0.00086   0.00083   0.00169   1.88489
   A84        1.95153   0.00129   0.00123   0.00596   0.00786   1.95939
   A85        1.90475  -0.00030   0.00165  -0.00046   0.00129   1.90604
   A86        1.91425  -0.00063  -0.00240  -0.00430  -0.00717   1.90708
   A87        1.91229  -0.00045   0.00113  -0.00152  -0.00060   1.91169
   A88        1.92340  -0.00023  -0.00178   0.00031  -0.00166   1.92174
   A89        1.85504   0.00027   0.00011  -0.00033  -0.00014   1.85490
   A90        2.29365   0.00097   0.00064   0.00270   0.00408   2.29773
   A91        2.16185  -0.00058  -0.00052  -0.00216  -0.00319   2.15866
   A92        1.82726  -0.00040  -0.00008  -0.00058  -0.00073   1.82652
   A93        1.91879  -0.00019  -0.00017  -0.00019  -0.00042   1.91837
   A94        2.24702   0.00015   0.00051  -0.00023   0.00030   2.24731
   A95        2.11738   0.00004  -0.00035   0.00044   0.00011   2.11749
   A96        1.89817   0.00047   0.00015   0.00102   0.00120   1.89937
   A97        2.19167  -0.00019  -0.00005   0.00043   0.00027   2.19194
   A98        2.19269  -0.00027   0.00003  -0.00077  -0.00083   2.19186
   A99        1.91387   0.00036   0.00016   0.00115   0.00153   1.91541
   A100       2.19013  -0.00012   0.00006  -0.00029  -0.00034   2.18980
   A101       2.17869  -0.00024  -0.00011  -0.00080  -0.00104   2.17765
   A102       1.86644  -0.00023  -0.00002  -0.00108  -0.00133   1.86511
   A103       2.23964  -0.00173  -0.00950   0.00140  -0.00681   2.23282
   A104       2.16701   0.00192   0.00926  -0.00161   0.00654   2.17355
   A105       1.74529   0.00043   0.00354  -0.00433  -0.00205   1.74324
   A106       1.51032  -0.00061   0.00124  -0.00233  -0.00313   1.50719
   A107       1.57059   0.00050  -0.00300   0.01298   0.00746   1.57805
   A108       2.96840   0.00008  -0.00660   0.00697   0.00199   2.97039
   A109       1.59219   0.00002  -0.00091  -0.00156  -0.00183   1.59037
   A110       1.69892   0.00037  -0.00479   0.00405  -0.00093   1.69799
   A111       1.62272   0.00002  -0.00743   0.00176  -0.00535   1.61738
   A112       1.54723  -0.00049   0.00491  -0.00313   0.00159   1.54882
   A113       2.94172  -0.00046  -0.00222   0.00417   0.00333   2.94505
   A114       2.95903  -0.00038   0.01047  -0.00390   0.00667   2.96570
   A115       1.52794   0.00064   0.00166   0.00369   0.00662   1.53455
   A116       1.49255  -0.00014  -0.00132   0.00412   0.00362   1.49617
   A117       1.64839  -0.00057   0.00125  -0.01404  -0.01000   1.63839
   A118       1.47824  -0.00022   0.01423  -0.01236   0.00172   1.47996
   A119       1.40276   0.00005  -0.00811   0.00967   0.00230   1.40505
   A120       2.09157   0.00238   0.01703   0.00693   0.02595   2.11752
   A121       2.30839  -0.00281   0.00173  -0.03368  -0.02986   2.27853
   A122       1.78899   0.00010  -0.00843   0.00661  -0.00147   1.78753
   A123       2.04358  -0.00057   0.01976  -0.01929  -0.00107   2.04250
   A124       2.91530   0.00050  -0.00981   0.01509   0.00588   2.92118
   A125       2.12271   0.00095   0.00261   0.00110   0.00413   2.12684
   A126       2.11249  -0.00020  -0.00117   0.00100  -0.00040   2.11209
   A127       2.04768  -0.00075  -0.00134  -0.00192  -0.00352   2.04416
   A128       2.38822  -0.00090   0.00395  -0.00757  -0.00267   2.38555
   A129       2.14009   0.00006   0.00084   0.00180   0.00332   2.14341
   A130       2.07321  -0.00006  -0.00057  -0.00053  -0.00155   2.07165
   A131       2.06956   0.00001  -0.00010  -0.00092  -0.00147   2.06809
   A132       1.97503  -0.00028  -0.00156   0.00082  -0.00025   1.97478
   A133       1.90675  -0.00010  -0.00102  -0.00025  -0.00124   1.90551
   A134       1.90005   0.00023   0.00067  -0.00013   0.00025   1.90030
   A135       1.83094  -0.00021   0.00230  -0.00267  -0.00035   1.83059
   A136       1.94746   0.00031  -0.00057   0.00100   0.00016   1.94762
   A137       1.90131   0.00003   0.00023   0.00117   0.00145   1.90276
   A138       2.09913   0.00036   0.00084   0.00125   0.00274   2.10187
   A139       2.02125   0.00082  -0.00005   0.00369   0.00342   2.02467
   A140       2.16043  -0.00119  -0.00055  -0.00603  -0.00685   2.15358
   A141       1.98218   0.00071  -0.02470   0.02405   0.00018   1.98237
   A142       2.06332   0.00064  -0.00091   0.00044  -0.00014   2.06318
   A143       2.17166  -0.00170  -0.00423  -0.00481  -0.00871   2.16295
   A144       2.03173   0.00096  -0.00083   0.00289   0.00238   2.03411
   A145       1.92467  -0.00007  -0.00201   0.00089  -0.00115   1.92352
   A146       1.89418  -0.00010   0.00099  -0.00382  -0.00281   1.89137
   A147       1.89103   0.00145   0.00457   0.00542   0.00999   1.90102
   A148       1.91022  -0.00008   0.00038  -0.00255  -0.00217   1.90805
   A149       1.92774  -0.00024  -0.00323   0.00688   0.00361   1.93135
   A150       1.91561  -0.00097  -0.00065  -0.00700  -0.00760   1.90801
   A151       1.90315   0.00023   0.00040   0.00164   0.00204   1.90518
   A152       1.90463  -0.00006   0.00008  -0.00074  -0.00066   1.90398
   A153       1.97615  -0.00013  -0.00031  -0.00077  -0.00108   1.97507
   A154       1.87648  -0.00003   0.00000   0.00046   0.00046   1.87694
   A155       1.89400   0.00000   0.00023   0.00007   0.00030   1.89430
   A156       1.90685  -0.00001  -0.00039  -0.00058  -0.00097   1.90588
    D1        3.10803  -0.00001   0.00546  -0.00172   0.00368   3.11171
    D2        1.00290  -0.00003   0.00257   0.00022   0.00275   1.00565
    D3       -1.02190  -0.00008   0.00315  -0.00036   0.00289  -1.01901
    D4        1.01718  -0.00005   0.00540  -0.00198   0.00336   1.02054
    D5       -1.08795  -0.00007   0.00251  -0.00005   0.00242  -1.08553
    D6       -3.11275  -0.00012   0.00309  -0.00062   0.00256  -3.11018
    D7       -1.09446   0.00018   0.00794  -0.00134   0.00655  -1.08791
    D8        3.08360   0.00016   0.00505   0.00059   0.00561   3.08921
    D9        1.05880   0.00011   0.00563   0.00002   0.00575   1.06455
   D10       -2.09756  -0.00073   0.02227  -0.02859  -0.00617  -2.10373
   D11        1.04064  -0.00042   0.03413  -0.03331   0.00118   1.04182
   D12        0.02068  -0.00015   0.02462  -0.02715  -0.00248   0.01820
   D13       -3.12431   0.00015   0.03648  -0.03187   0.00487  -3.11944
   D14        2.03891  -0.00041   0.02469  -0.03068  -0.00610   2.03282
   D15       -1.10607  -0.00011   0.03654  -0.03539   0.00125  -1.10482
   D16       -3.12356  -0.00019  -0.01203   0.01392   0.00149  -3.12207
   D17        0.02507   0.00006  -0.00289   0.01024   0.00693   0.03200
   D18        0.02097  -0.00045  -0.02225   0.01801  -0.00489   0.01608
   D19       -3.11358  -0.00020  -0.01310   0.01433   0.00056  -3.11302
   D20        3.12654   0.00043   0.00719  -0.00501   0.00260   3.12914
   D21       -0.00499  -0.00007   0.00096  -0.00663  -0.00581  -0.01080
   D22       -0.01767   0.00066   0.01639  -0.00864   0.00825  -0.00942
   D23        3.13398   0.00017   0.01016  -0.01026  -0.00016   3.13382
   D24       -0.01653   0.00006   0.01988  -0.02083  -0.00035  -0.01688
   D25       -3.08632  -0.00061  -0.01852   0.00069  -0.02006  -3.10638
   D26        3.11857  -0.00018   0.01128  -0.01746  -0.00536   3.11321
   D27        0.04878  -0.00085  -0.02713   0.00406  -0.02508   0.02371
   D28        0.00812  -0.00067  -0.00457  -0.00415  -0.00894  -0.00082
   D29       -3.13139  -0.00013  -0.00368   0.00767   0.00283  -3.12856
   D30        3.13962  -0.00017   0.00166  -0.00255  -0.00051   3.13911
   D31        0.00011   0.00036   0.00255   0.00927   0.01125   0.01136
   D32        0.00495   0.00038  -0.00915   0.01507   0.00569   0.01064
   D33        3.07780   0.00089   0.03193  -0.00487   0.02351   3.10131
   D34       -3.13879  -0.00017  -0.01010   0.00289  -0.00639   3.13801
   D35       -0.06594   0.00034   0.03098  -0.01705   0.01143  -0.05451
   D36        1.91406  -0.00002  -0.03605  -0.00072  -0.03717   1.87689
   D37       -2.67874   0.00024  -0.04085   0.00317  -0.03856  -2.71730
   D38        0.29057  -0.00013  -0.02792  -0.00476  -0.03302   0.25754
   D39       -1.74545   0.00012  -0.00478  -0.01686  -0.02161  -1.76706
   D40       -1.18765   0.00008  -0.04209   0.00733  -0.03489  -1.22254
   D41       -1.14336  -0.00069  -0.08395   0.02421  -0.05958  -1.20294
   D42        0.54703  -0.00044  -0.08875   0.02809  -0.06096   0.48606
   D43       -2.76685  -0.00080  -0.07583   0.02017  -0.05543  -2.82228
   D44        1.48032  -0.00056  -0.05269   0.00806  -0.04401   1.43630
   D45        2.03812  -0.00060  -0.09000   0.03225  -0.05730   1.98082
   D46        1.06639  -0.00003   0.01645  -0.01889  -0.00244   1.06394
   D47       -3.09496   0.00002   0.01531  -0.01926  -0.00405  -3.09901
   D48       -1.04158  -0.00001   0.01497  -0.01799  -0.00290  -1.04448
   D49       -1.03632   0.00013   0.01614  -0.01626  -0.00013  -1.03645
   D50        1.08551   0.00019   0.01499  -0.01662  -0.00174   1.08377
   D51        3.13889   0.00015   0.01466  -0.01535  -0.00059   3.13831
   D52       -3.12091  -0.00014   0.01421  -0.01879  -0.00459  -3.12550
   D53       -0.99908  -0.00008   0.01306  -0.01915  -0.00619  -1.00527
   D54        1.05430  -0.00012   0.01273  -0.01788  -0.00504   1.04926
   D55       -1.06803   0.00029   0.01355  -0.01557  -0.00192  -1.06995
   D56        1.05441   0.00036   0.01197  -0.01298  -0.00110   1.05330
   D57        3.13520   0.00019   0.01154  -0.01360  -0.00206   3.13314
   D58        3.08779   0.00009   0.01422  -0.01385   0.00059   3.08838
   D59       -1.07295   0.00016   0.01265  -0.01126   0.00140  -1.07155
   D60        1.00784  -0.00001   0.01222  -0.01188   0.00045   1.00829
   D61        1.05512  -0.00004   0.01372  -0.01611  -0.00239   1.05274
   D62       -3.10562   0.00003   0.01215  -0.01351  -0.00157  -3.10720
   D63       -1.02483  -0.00014   0.01171  -0.01414  -0.00253  -1.02735
   D64       -0.92606   0.00032   0.00646  -0.01491  -0.00891  -0.93496
   D65        2.15739   0.00056   0.00603  -0.00745  -0.00182   2.15557
   D66       -3.06750   0.00006   0.00718  -0.01557  -0.00850  -3.07600
   D67        0.01595   0.00030   0.00675  -0.00812  -0.00141   0.01454
   D68        1.16017  -0.00003   0.00744  -0.01629  -0.00908   1.15109
   D69       -2.03957   0.00021   0.00701  -0.00884  -0.00199  -2.04156
   D70        2.85650  -0.00006  -0.00814   0.02158   0.01383   2.87033
   D71       -0.22375  -0.00028  -0.00767   0.01379   0.00645  -0.21730
   D72       -2.88166  -0.00001   0.00749  -0.02178  -0.01456  -2.89621
   D73        0.20020   0.00033   0.00739  -0.01383  -0.00678   0.19342
   D74        0.09822   0.00037   0.00150  -0.00370  -0.00256   0.09566
   D75        0.25261   0.00026  -0.00787   0.01752   0.01005   0.26266
   D76       -1.04005  -0.00005  -0.00092  -0.00993  -0.01094  -1.05099
   D77        1.08402  -0.00020   0.00077  -0.00821  -0.00737   1.07665
   D78        3.10298   0.00011   0.00105  -0.00462  -0.00355   3.09943
   D79       -3.13399   0.00009  -0.00164  -0.00782  -0.00954   3.13966
   D80       -1.00991  -0.00007   0.00005  -0.00609  -0.00598  -1.01589
   D81        1.00904   0.00024   0.00033  -0.00250  -0.00215   1.00689
   D82        1.06887  -0.00007  -0.00202  -0.01033  -0.01244   1.05643
   D83       -3.09024  -0.00023  -0.00033  -0.00860  -0.00887  -3.09912
   D84       -1.07129   0.00009  -0.00006  -0.00502  -0.00505  -1.07633
   D85       -0.20507  -0.00009  -0.07840   0.06299  -0.01516  -0.22022
   D86        2.92531  -0.00009  -0.06779   0.06172  -0.00563   2.91968
   D87       -2.32685   0.00005  -0.07987   0.06111  -0.01877  -2.34562
   D88        0.80353   0.00004  -0.06926   0.05984  -0.00925   0.79428
   D89        1.93104  -0.00012  -0.08037   0.05920  -0.02111   1.90993
   D90       -1.22177  -0.00013  -0.06976   0.05793  -0.01159  -1.23335
   D91        3.13312  -0.00059   0.00641  -0.00504   0.00194   3.13506
   D92        0.02985  -0.00012   0.00586  -0.00237   0.00356   0.03341
   D93        0.00134  -0.00059  -0.00278  -0.00394  -0.00640  -0.00506
   D94       -3.10193  -0.00012  -0.00334  -0.00127  -0.00478  -3.10671
   D95       -3.13581   0.00071  -0.00154   0.00269   0.00082  -3.13499
   D96       -0.01768   0.00013  -0.00554  -0.00056  -0.00620  -0.02388
   D97       -0.00267   0.00070   0.00654   0.00173   0.00799   0.00532
   D98        3.11547   0.00012   0.00254  -0.00153   0.00097   3.11644
   D99        0.00049   0.00028  -0.00203   0.00475   0.00249   0.00297
   D100      -2.92983   0.00060   0.01258  -0.00117   0.01065  -2.91919
   D101       3.10711  -0.00016  -0.00153   0.00231   0.00100   3.10811
   D102       0.17679   0.00016   0.01309  -0.00361   0.00916   0.18595
   D103       0.00312  -0.00056  -0.00818   0.00120  -0.00685  -0.00372
   D104       3.10953  -0.00056  -0.00428  -0.00797  -0.01210   3.09743
   D105      -3.11492   0.00003  -0.00415   0.00448   0.00024  -3.11468
   D106      -0.00851   0.00002  -0.00026  -0.00469  -0.00501  -0.01352
   D107      -0.00220   0.00017   0.00622  -0.00359   0.00270   0.00050
   D108       2.92648  -0.00017  -0.00733   0.00232  -0.00492   2.92156
   D109      -3.10852   0.00017   0.00233   0.00561   0.00797  -3.10055
   D110      -0.17984  -0.00018  -0.01122   0.01152   0.00035  -0.17948
   D111      -0.49785  -0.00058   0.01331  -0.00986   0.00370  -0.49416
   D112      -2.02947  -0.00007   0.01256  -0.00764   0.00730  -2.02217
   D113       1.08190  -0.00004   0.00890   0.00341   0.01023   1.09213
   D114       2.72918  -0.00064   0.01028  -0.01084   0.00040   2.72958
   D115       2.44158  -0.00060   0.04340  -0.05542  -0.01165   2.42993
   D116       2.89571  -0.00021   0.02981  -0.01677   0.01306   2.90877
   D117       1.36409   0.00030   0.02906  -0.01455   0.01667   1.38076
   D118      -1.80772   0.00032   0.02539  -0.00349   0.01960  -1.78812
   D119      -0.16044  -0.00027   0.02677  -0.01775   0.00976  -0.15068
   D120      -0.44804  -0.00023   0.05990  -0.06232  -0.00228  -0.45032
   D121      -1.06633  -0.00001   0.00042   0.00316   0.00371  -1.06262
   D122       3.09840  -0.00008  -0.00298   0.00151  -0.00158   3.09682
   D123       1.07276   0.00012  -0.00269   0.00458   0.00187   1.07463
   D124       1.04375  -0.00003   0.00024   0.00304   0.00341   1.04717
   D125      -1.07470  -0.00009  -0.00316   0.00140  -0.00188  -1.07658
   D126      -3.10034   0.00011  -0.00287   0.00446   0.00157  -3.09877
   D127       3.13332  -0.00001   0.00132   0.00336   0.00481   3.13813
   D128       1.01487  -0.00007  -0.00208   0.00172  -0.00048   1.01439
   D129      -1.01078   0.00013  -0.00179   0.00478   0.00297  -1.00780
   D130       0.16221   0.00014   0.03027   0.02138   0.05125   0.21346
   D131      -2.94297   0.00026   0.02179   0.02311   0.04424  -2.89873
   D132       2.27630   0.00029   0.03398   0.02367   0.05768   2.33398
   D133      -0.82888   0.00042   0.02550   0.02540   0.05067  -0.77821
   D134      -1.97165   0.00022   0.03373   0.02256   0.05619  -1.91546
   D135       1.20635   0.00034   0.02526   0.02429   0.04918   1.25554
   D136      -3.09004  -0.00017  -0.01557  -0.00900  -0.02536  -3.11540
   D137       0.04926  -0.00018  -0.01352  -0.00249  -0.01610   0.03316
   D138       0.02030  -0.00028  -0.00828  -0.01053  -0.01940   0.00090
   D139      -3.12359  -0.00030  -0.00623  -0.00402  -0.01014  -3.13372
   D140       3.09260   0.00035   0.01391   0.01327   0.02789   3.12049
   D141      -0.01187  -0.00004   0.00320  -0.00602  -0.00258  -0.01445
   D142      -0.02077   0.00042   0.00735   0.01454   0.02238   0.00161
   D143      -3.12523   0.00003  -0.00336  -0.00475  -0.00810  -3.13333
   D144      -0.01244   0.00003   0.00622   0.00260   0.00931  -0.00313
   D145       2.98006  -0.00007   0.00496  -0.00707  -0.00129   2.97878
   D146       3.13125   0.00004   0.00436  -0.00335   0.00085   3.13210
   D147      -0.15943  -0.00006   0.00310  -0.01301  -0.00974  -0.16917
   D148       0.01401  -0.00042  -0.00381  -0.01365  -0.01768  -0.00367
   D149      -3.09506  -0.00026  -0.00743  -0.01563  -0.02347  -3.11853
   D150       3.11844  -0.00002   0.00692   0.00568   0.01282   3.13127
   D151       0.00938   0.00014   0.00330   0.00371   0.00704   0.01641
   D152      -0.00112   0.00024  -0.00141   0.00682   0.00525   0.00413
   D153      -3.00141   0.00072   0.00173   0.01566   0.01679  -2.98462
   D154       3.10821   0.00009   0.00218   0.00879   0.01100   3.11921
   D155       0.10792   0.00057   0.00532   0.01763   0.02254   0.13046
   D156      -1.47171   0.00024   0.00064  -0.00881  -0.00763  -1.47935
   D157       0.26744   0.00059   0.00452  -0.01361  -0.01004   0.25741
   D158      -2.70716   0.00011   0.05955  -0.07882  -0.02062  -2.72778
   D159       1.80893   0.00016   0.00983  -0.01648  -0.00754   1.80139
   D160      -3.06876   0.00017   0.00156  -0.00717  -0.00581  -3.07457
   D161       1.49730  -0.00012  -0.00194  -0.01989  -0.02084   1.47646
   D162      -3.04672   0.00023   0.00194  -0.02470  -0.02325  -3.06997
   D163       0.26186  -0.00025   0.05697  -0.08990  -0.03383   0.22802
   D164      -1.50524  -0.00020   0.00725  -0.02756  -0.02075  -1.52599
   D165      -0.09974  -0.00019  -0.00102  -0.01826  -0.01902  -0.11876
   D166       1.92591   0.00014  -0.00276   0.00727   0.00280   1.92871
   D167      -0.67703   0.00073  -0.04105   0.05763   0.01512  -0.66192
   D168       0.18039  -0.00033  -0.00620   0.01090   0.00454   0.18494
   D169      -2.42255   0.00027  -0.04450   0.06126   0.01686  -2.40569
   D170      -3.12703   0.00016  -0.06101   0.07572   0.01508  -3.11196
   D171       0.55321   0.00076  -0.09931   0.12608   0.02739   0.58060
   D172      -1.37078   0.00020  -0.01062   0.01462   0.00382  -1.36696
   D173       2.30946   0.00079  -0.04892   0.06498   0.01613   2.32559
   D174      -2.76497   0.00011  -0.00354   0.00453   0.00028  -2.76468
   D175       0.91527   0.00070  -0.04184   0.05489   0.01260   0.92787
   D176       0.43804   0.00003  -0.00997   0.00579  -0.00429   0.43376
   D177       3.07020   0.00020   0.02095  -0.01051   0.01080   3.08100
   D178       1.37010  -0.00017   0.02593  -0.01459   0.01198   1.38209
   D179      -1.59193   0.00019   0.01386  -0.00871   0.00574  -1.58618
   D180      -0.12855   0.00008   0.02748  -0.01786   0.00947  -0.11907
   D181       1.98507   0.00014  -0.02355   0.02207  -0.00128   1.98379
   D182      -0.95743   0.00015  -0.05315   0.06707   0.01390  -0.94353
   D183      -2.78967  -0.00048  -0.02226   0.01997  -0.00418  -2.79386
   D184       0.41647  -0.00035  -0.02084   0.00916  -0.00898   0.40749
   D185      -1.24917   0.00019  -0.01960   0.02232   0.00177  -1.24740
   D186      -2.68266   0.00128  -0.02444   0.04465   0.01954  -2.66312
   D187       0.05953  -0.00022   0.00392  -0.00445  -0.00057   0.05897
   D188       2.29131  -0.00012   0.03916  -0.05053  -0.00931   2.28201
   D189      -0.37703  -0.00030   0.00286  -0.00867  -0.00691  -0.38394
   D190       0.90183  -0.00058  -0.02680  -0.00029  -0.02621   0.87562
   D191      -2.26705  -0.00043  -0.02226   0.00751  -0.01408  -2.28112
   D192       0.02375   0.00039   0.01037   0.01267   0.02314   0.04689
   D193      -3.08975   0.00014   0.00602  -0.00219   0.00370  -3.08605
   D194      -3.09153   0.00023   0.00599   0.00509   0.01141  -3.08012
   D195       0.07816  -0.00002   0.00163  -0.00976  -0.00803   0.07013
   D196      -1.12069  -0.00008  -0.00386  -0.00302  -0.00679  -1.12747
   D197       0.92437  -0.00001  -0.00358  -0.00196  -0.00545   0.91892
   D198       3.05217  -0.00016  -0.00423  -0.00375  -0.00789   3.04428
   D199       1.99475   0.00010   0.00049   0.00451   0.00491   1.99966
   D200      -2.24337   0.00016   0.00076   0.00557   0.00624  -2.23713
   D201      -0.11558   0.00002   0.00012   0.00377   0.00380  -0.11178
   D202      -1.37820   0.00013  -0.00208  -0.00995  -0.01245  -1.39066
   D203       0.65457  -0.00037  -0.00082  -0.01294  -0.01385   0.64071
   D204       2.72896  -0.00025  -0.00075  -0.01174  -0.01268   2.71628
   D205       1.73535   0.00038   0.00226   0.00488   0.00694   1.74230
   D206      -2.51506  -0.00012   0.00352   0.00189   0.00555  -2.50951
   D207      -0.44067   0.00000   0.00359   0.00309   0.00672  -0.43395
   D208       0.65381  -0.00042  -0.02267   0.01711  -0.00524   0.64857
   D209      -2.55909  -0.00066  -0.01618   0.00052  -0.01530  -2.57439
   D210      -1.42326  -0.00002  -0.02203   0.01867  -0.00337  -1.42664
   D211       1.64702  -0.00026  -0.01554   0.00208  -0.01343   1.63359
   D212       2.80387  -0.00009  -0.02337   0.01833  -0.00497   2.79890
   D213      -0.40903  -0.00033  -0.01688   0.00174  -0.01503  -0.42406
   D214       1.02384   0.00029   0.02304  -0.02123   0.00261   1.02646
   D215      -2.04050   0.00046   0.01602  -0.00370   0.01296  -2.02754
   D216       0.01411  -0.00041  -0.03939  -0.00106  -0.04054  -0.02642
   D217      -2.92605   0.00011  -0.01259   0.00751  -0.00518  -2.93124
   D218       3.08160  -0.00058  -0.03263  -0.01795  -0.05047   3.03114
   D219       0.14144  -0.00007  -0.00583  -0.00938  -0.01512   0.12632
   D220      -2.20835  -0.00021  -0.04119  -0.00431  -0.04551  -2.25387
   D221      -0.11609  -0.00041  -0.04132  -0.00925  -0.05057  -0.16667
   D222       1.96306  -0.00080  -0.03884  -0.01671  -0.05561   1.90746
   D223       1.13136   0.00032  -0.01485   0.00436  -0.01046   1.12090
   D224      -3.05956   0.00013  -0.01498  -0.00059  -0.01552  -3.07508
   D225      -0.98041  -0.00026  -0.01250  -0.00805  -0.02055  -1.00096
         Item               Value     Threshold  Converged?
 Maximum Force            0.002668     0.000450     NO 
 RMS     Force            0.000542     0.000300     NO 
 Maximum Displacement     0.224720     0.001800     NO 
 RMS     Displacement     0.043600     0.001200     NO 
 Predicted change in Energy=-5.934544D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.866070    2.763476    3.526194
      2          6           0       -3.226469    1.352480    3.631523
      3          6           0       -1.970483    1.190386    2.818870
      4          6           0       -1.633520    0.325376    1.787901
      5          7           0       -0.826711    1.981140    3.014376
      6          6           0        0.143762    1.572997    2.128845
      7          7           0       -0.311460    0.562042    1.374178
      8          6           0       -5.117527    1.164650    0.126106
      9          6           0       -5.872494    0.135690   -0.745525
     10          6           0       -5.353611   -1.313312   -0.558064
     11          6           0       -3.886110   -1.413480   -0.962495
     12          8           0       -3.498048   -1.016150   -2.108989
     13          8           0       -3.033305   -1.878128   -0.036464
     14          6           0       -1.995230    4.328347   -3.030898
     15          6           0       -0.647201    3.994159   -3.705958
     16          6           0        0.073123    2.841560   -3.056625
     17          6           0       -0.108850    2.167212   -1.858689
     18          7           0        1.173751    2.206633   -3.657501
     19          6           0        1.608130    1.194593   -2.836447
     20          7           0        0.848324    1.145656   -1.734272
     21          6           0        4.949472    3.760981    1.424047
     22          6           0        5.258363    2.399975    2.083645
     23          6           0        4.263856    1.338649    1.694486
     24          6           0        3.287273    1.306847    0.709422
     25          7           0        4.140726    0.105980    2.356833
     26          6           0        3.125382   -0.614464    1.769416
     27          7           0        2.588848    0.093742    0.768831
     28         30           0        0.808602   -0.451495   -0.284210
     29          1           0       -4.790532    2.806551    4.114784
     30          1           0       -4.112259    3.006089    2.483977
     31          1           0       -3.195457    3.548239    3.910775
     32          1           0       -3.947587    0.598347    3.288298
     33          1           0       -3.020225    1.123948    4.691386
     34          1           0       -2.247291   -0.429201    1.319305
     35          1           0       -0.735614    2.724321    3.694730
     36          1           0        1.127406    2.008649    2.076162
     37          1           0       -4.050252    1.189519   -0.127506
     38          1           0       -5.211900    0.916358    1.192917
     39          1           0       -5.525850    2.173443   -0.024090
     40          1           0       -6.943490    0.165126   -0.499212
     41          1           0       -5.769111    0.402588   -1.804393
     42          1           0       -5.467728   -1.642292    0.481470
     43          1           0       -5.938038   -1.988969   -1.197835
     44          1           0       -2.679814    3.473201   -3.069401
     45          1           0       -2.474108    5.172346   -3.539953
     46          1           0       -1.853073    4.609253   -1.979429
     47          1           0       -0.824707    3.760631   -4.766385
     48          1           0       -0.002644    4.886227   -3.687429
     49          1           0       -0.865821    2.318929   -1.108119
     50          1           0        1.562282    2.441447   -4.562276
     51          1           0        2.414041    0.516760   -3.065494
     52          1           0        4.984800    3.689462    0.330053
     53          1           0        3.957035    4.126555    1.714427
     54          1           0        5.689059    4.509077    1.731124
     55          1           0        5.259478    2.519743    3.177463
     56          1           0        6.275387    2.084962    1.806908
     57          1           0        3.047601    2.055458   -0.026950
     58          1           0        4.702400   -0.199856    3.141568
     59          1           0        2.790181   -1.590742    2.080338
     60          8           0       -0.914936   -1.196652   -1.012629
     61          1           0       -1.289759   -0.878579   -1.862658
     62          1           0       -1.822181   -1.590948   -0.481169
     63          6           0        2.657339   -2.799867   -1.629251
     64          8           0        2.089437   -1.663712   -1.657389
     65          7           0        1.983059   -3.933346   -1.281553
     66          6           0        0.549950   -3.941714   -0.971421
     67          6           0        0.236963   -3.456148    0.454217
     68          8           0        0.908845   -2.505194    0.974810
     69          7           0       -0.831474   -4.025631    1.052495
     70          1           0        0.034378   -3.231917   -1.630490
     71          1           0        0.154582   -4.946839   -1.150574
     72          1           0        2.494368   -4.806448   -1.227715
     73          1           0       -1.367812   -4.709161    0.527355
     74          6           0       -1.442909   -3.523185    2.297763
     75          1           0       -1.550593   -4.338257    3.022317
     76          1           0       -0.791348   -2.753319    2.714496
     77          1           0       -2.418605   -3.083841    2.062366
     78          6           0        4.118589   -2.952141   -2.002825
     79          1           0        4.248236   -2.695045   -3.061097
     80          1           0        4.713686   -2.244944   -1.416184
     81          1           0        4.501062   -3.965244   -1.841390
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0956296      0.0729418      0.0661236
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4908.3998265761 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33690 LenP2D=  122096.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.42D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999988    0.003800    0.002758    0.001186 Ang=   0.55 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97390553     A.U. after   11 cycles
            NFock= 11  Conv=0.66D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33690 LenP2D=  122096.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000595580    0.001152081    0.000256642
      3        6           0.000473129   -0.000596392   -0.000234798
      4        6           0.000030047    0.001407432    0.000475954
      5        7          -0.001029781    0.000416230   -0.000133564
      6        6           0.000200668    0.000905709    0.001823180
      7        7           0.000618537   -0.003907200   -0.001227727
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000045256    0.000221461    0.000669359
     10        6          -0.000101002    0.000041604    0.000036956
     11        6          -0.001213256   -0.000099707   -0.000162556
     12        8          -0.000158169    0.000676585    0.001560424
     13        8           0.002173801   -0.000155437   -0.001058966
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000371737    0.000019024    0.000195511
     16        6          -0.000200675   -0.000059785   -0.000152067
     17        6          -0.000080210    0.000590263   -0.000244366
     18        7          -0.000012381   -0.000290715    0.000006256
     19        6           0.000157711    0.000314579   -0.000237706
     20        7           0.000010275    0.000228768    0.000188163
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000096958    0.000251061    0.000241095
     23        6           0.001086847   -0.000332013    0.000887980
     24        6          -0.000643762   -0.000160820   -0.001059132
     25        7          -0.000497957   -0.000195676   -0.000631747
     26        6           0.000481604   -0.000339115    0.000385627
     27        7          -0.002561756    0.002100073   -0.001013575
     28       30           0.003504250   -0.000800889    0.005297646
     29        1          -0.000270572   -0.000017333   -0.000164190
     30        1          -0.000679146    0.000619536    0.001246289
     31        1           0.000495235    0.001385093   -0.000945163
     32        1          -0.000795116   -0.001657870    0.000858910
     33        1           0.000760242   -0.000754257   -0.001620335
     34        1           0.000056154    0.000483221    0.000654104
     35        1          -0.000210356   -0.000139381   -0.000193610
     36        1           0.000145701   -0.000249290    0.000044249
     37        1           0.000018946    0.000082985   -0.000018336
     38        1          -0.000018915   -0.000176231   -0.000161742
     39        1          -0.000108652    0.000093530    0.000129125
     40        1          -0.000039782    0.000074967   -0.000358807
     41        1           0.000113206   -0.000166329    0.000098165
     42        1          -0.000201074   -0.000209104   -0.000281630
     43        1           0.000035412   -0.000033010   -0.000021288
     44        1          -0.000029880    0.000075164   -0.000033787
     45        1          -0.000127900    0.000053016   -0.000009223
     46        1           0.000155509    0.000000124   -0.000168160
     47        1          -0.000039627    0.000145498    0.000057599
     48        1           0.000070872   -0.000162348   -0.000161593
     49        1           0.000128127   -0.000033647    0.000200274
     50        1          -0.000113192    0.000017983    0.000043164
     51        1           0.000073702    0.000054380    0.000130666
     52        1           0.000046705    0.000035310    0.000064599
     53        1           0.000046746   -0.000061884   -0.000069357
     54        1           0.000013662    0.000213637   -0.000047805
     55        1          -0.000064164    0.000067148   -0.000018688
     56        1          -0.000005018    0.000156753   -0.000257271
     57        1           0.000226569    0.000009014    0.000101229
     58        1          -0.000022586   -0.000039539   -0.000067430
     59        1           0.000051822   -0.000002092   -0.000006542
     60        8          -0.002152159    0.002054429   -0.002330313
     61        1           0.000238826    0.000739458    0.000043467
     62        1          -0.000460871   -0.001044437   -0.000912174
     63        6           0.001347170    0.000751860    0.000954140
     64        8          -0.001430605   -0.001037383   -0.000961029
     65        7           0.000131895   -0.000465596    0.000336943
     66        6          -0.000890587    0.000714475    0.000356161
     67        6           0.001842978   -0.000588734    0.000030006
     68        8          -0.000399947   -0.001339388   -0.001287732
     69        7           0.000103592    0.000930404    0.000235755
     70        1           0.000206405   -0.000123801    0.000162959
     71        1          -0.000124902   -0.000039865   -0.000089752
     72        1           0.000179992   -0.000170203   -0.000022667
     73        1          -0.000253060    0.000078797    0.000250479
     74        6          -0.000519848   -0.000216991   -0.000495871
     75        1           0.000286916    0.000006799   -0.000394897
     76        1          -0.000030608   -0.000223095    0.000098233
     77        1          -0.000185179    0.000082897   -0.000123951
     78        6          -0.000208619   -0.000024612   -0.000742356
     79        1          -0.000071892    0.000080724    0.000250095
     80        1          -0.000006490   -0.000003855   -0.000023084
     81        1           0.000086038   -0.000162668   -0.000001350
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005297646 RMS     0.000781864

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002026032 RMS     0.000345432
 Search for a local minimum.
 Step number  24 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   22   23   24
 DE= -6.52D-04 DEPred=-5.93D-04 R= 1.10D+00
 TightC=F SS=  1.41D+00  RLast= 2.78D-01 DXNew= 5.0454D+00 8.3531D-01
 Trust test= 1.10D+00 RLast= 2.78D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0  1  0
     Eigenvalues ---    0.00115   0.00154   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00236   0.00376   0.00414   0.00524   0.00528
     Eigenvalues ---    0.00577   0.00634   0.00680   0.00716   0.00736
     Eigenvalues ---    0.00766   0.00801   0.00843   0.00979   0.01008
     Eigenvalues ---    0.01174   0.01222   0.01288   0.01384   0.01434
     Eigenvalues ---    0.01461   0.01566   0.01644   0.01680   0.01733
     Eigenvalues ---    0.01813   0.01853   0.01872   0.01899   0.01920
     Eigenvalues ---    0.01972   0.02035   0.02072   0.02087   0.02228
     Eigenvalues ---    0.02257   0.02289   0.02306   0.02446   0.02557
     Eigenvalues ---    0.02722   0.03102   0.03431   0.03695   0.03847
     Eigenvalues ---    0.03958   0.04056   0.04141   0.04304   0.04434
     Eigenvalues ---    0.04652   0.04830   0.05092   0.05296   0.05322
     Eigenvalues ---    0.05378   0.05391   0.05401   0.05415   0.05465
     Eigenvalues ---    0.05486   0.05505   0.05526   0.05532   0.05575
     Eigenvalues ---    0.05972   0.06086   0.06906   0.07020   0.07334
     Eigenvalues ---    0.07478   0.07570   0.07732   0.07797   0.08303
     Eigenvalues ---    0.08425   0.09066   0.09227   0.09335   0.09475
     Eigenvalues ---    0.09678   0.09955   0.10118   0.10459   0.10975
     Eigenvalues ---    0.11529   0.12276   0.12630   0.12885   0.12957
     Eigenvalues ---    0.13085   0.13767   0.14097   0.14727   0.15362
     Eigenvalues ---    0.15813   0.15854   0.15947   0.15955   0.15982
     Eigenvalues ---    0.15990   0.15992   0.15993   0.15997   0.15998
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16000
     Eigenvalues ---    0.16003   0.16004   0.16005   0.16006   0.16011
     Eigenvalues ---    0.16032   0.16041   0.16060   0.16076   0.16110
     Eigenvalues ---    0.16163   0.16205   0.16237   0.16273   0.17043
     Eigenvalues ---    0.18072   0.18350   0.20725   0.20752   0.21256
     Eigenvalues ---    0.21571   0.22090   0.22236   0.22469   0.22609
     Eigenvalues ---    0.22793   0.22991   0.23114   0.23482   0.23741
     Eigenvalues ---    0.23978   0.24098   0.24527   0.24764   0.25048
     Eigenvalues ---    0.25173   0.25519   0.26744   0.27293   0.27733
     Eigenvalues ---    0.28155   0.28253   0.28348   0.29327   0.30266
     Eigenvalues ---    0.30699   0.30871   0.31500   0.31550   0.31765
     Eigenvalues ---    0.33602   0.33612   0.33628   0.33655   0.33663
     Eigenvalues ---    0.33774   0.33802   0.33827   0.33867   0.33915
     Eigenvalues ---    0.33932   0.33945   0.33985   0.33986   0.34009
     Eigenvalues ---    0.34030   0.34044   0.34071   0.34084   0.34090
     Eigenvalues ---    0.34129   0.34172   0.34178   0.34180   0.34194
     Eigenvalues ---    0.34263   0.34303   0.34373   0.34618   0.35435
     Eigenvalues ---    0.35535   0.35756   0.36074   0.36232   0.36340
     Eigenvalues ---    0.36499   0.36526   0.38889   0.39102   0.39443
     Eigenvalues ---    0.41173   0.42309   0.42630   0.42765   0.43772
     Eigenvalues ---    0.45279   0.45380   0.45470   0.45508   0.45584
     Eigenvalues ---    0.45602   0.45650   0.46252   0.48967   0.49277
     Eigenvalues ---    0.49674   0.49791   0.49957   0.52258   0.54535
     Eigenvalues ---    0.54891   0.55103   0.57310   0.67262   0.73245
     Eigenvalues ---    0.761511000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    24   23   22   21   20
 RFO step:  Lambda=-1.46676283D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    0.87651    0.25055   -0.11951   -0.40488    0.39733
 Iteration  1 RMS(Cart)=  0.03513413 RMS(Int)=  0.00070856
 Iteration  2 RMS(Cart)=  0.00139845 RMS(Int)=  0.00026044
 Iteration  3 RMS(Cart)=  0.00000504 RMS(Int)=  0.00026042
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00026042
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48447   0.00015   0.00002   0.00000   0.00000   8.48447
    Y1       -0.92761   0.00089   0.00000   0.00000   0.00000  -0.92761
    Z1        7.47499   0.00018   0.00001   0.00000   0.00000   7.47499
    X8       10.19808  -0.00001  -0.00001   0.00000   0.00000  10.19808
    Y8        1.20620   0.00016   0.00000   0.00000   0.00000   1.20620
    Z8        0.50969   0.00022   0.00000   0.00000   0.00000   0.50969
   X14        7.21038   0.00035   0.00000   0.00000   0.00000   7.21038
   Y14       -7.64139   0.00016   0.00000   0.00000   0.00000  -7.64139
   Z14       -3.84249  -0.00021   0.00000   0.00000   0.00000  -3.84249
   X21       -6.13876   0.00007  -0.00001   0.00000   0.00000  -6.13876
   Y21       -9.38867   0.00004   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00003  -0.00001   0.00000   0.00000   4.09468
    R1        2.93431  -0.00119   0.00153   0.00071   0.00280   2.93712
    R2        2.07261  -0.00030   0.00046  -0.00078  -0.00042   2.07219
    R3        2.07499  -0.00154   0.00236  -0.00292  -0.00078   2.07422
    R4        2.08168  -0.00174   0.00302  -0.00381  -0.00079   2.08089
    R5        2.84351  -0.00039   0.00097  -0.00012   0.00097   2.84448
    R6        2.07572  -0.00203   0.00399  -0.00513  -0.00113   2.07459
    R7        2.08562  -0.00193   0.00297  -0.00295   0.00002   2.08564
    R8        2.62167  -0.00034  -0.00023   0.00002  -0.00013   2.62154
    R9        2.65352   0.00008   0.00046   0.00085   0.00144   2.65496
   R10        2.65573   0.00099  -0.00128   0.00476   0.00346   2.65919
   R11        2.04028  -0.00001  -0.00009  -0.00084  -0.00093   2.03935
   R12        2.59971  -0.00096   0.00103  -0.00114  -0.00002   2.59968
   R13        1.91180  -0.00011   0.00013  -0.00014   0.00000   1.91180
   R14        2.53447   0.00058  -0.00057   0.00072   0.00007   2.53454
   R15        2.03541   0.00007  -0.00016   0.00065   0.00049   2.03590
   R16        4.23908   0.00081  -0.00603   0.01864   0.01273   4.25180
   R17        2.92051  -0.00006   0.00208  -0.00344  -0.00166   2.91886
   R18        2.07355  -0.00005   0.00000   0.00032   0.00027   2.07382
   R19        2.07753  -0.00022   0.00066  -0.00030   0.00026   2.07779
   R20        2.07608  -0.00013  -0.00031  -0.00055  -0.00056   2.07552
   R21        2.92998   0.00005   0.00125  -0.00205  -0.00111   2.92887
   R22        2.07747  -0.00009  -0.00001  -0.00016  -0.00018   2.07729
   R23        2.07278   0.00000  -0.00010  -0.00017  -0.00027   2.07251
   R24        2.88278  -0.00033  -0.00051   0.00049  -0.00010   2.88268
   R25        2.07171  -0.00033   0.00025  -0.00055  -0.00030   2.07142
   R26        2.07644   0.00001   0.00007  -0.00025  -0.00018   2.07626
   R27        2.40739  -0.00166   0.00055  -0.00242  -0.00163   2.40576
   R28        2.53583  -0.00190   0.00360  -0.00421  -0.00076   2.53508
   R29        4.20698  -0.00027  -0.01911   0.05770   0.03875   4.24573
   R30        2.49777   0.00082  -0.00515   0.01992   0.01455   2.51232
   R31        2.91812  -0.00031   0.00016  -0.00206  -0.00158   2.91654
   R32        2.07131   0.00007  -0.00014   0.00062   0.00056   2.07187
   R33        2.07078  -0.00012   0.00011  -0.00026  -0.00024   2.07053
   R34        2.07414  -0.00018   0.00048  -0.00043  -0.00010   2.07405
   R35        2.84652   0.00004   0.00013  -0.00157  -0.00133   2.84519
   R36        2.07917  -0.00006  -0.00011   0.00023   0.00012   2.07930
   R37        2.08006   0.00010  -0.00011   0.00049   0.00038   2.08044
   R38        2.62047   0.00021   0.00056  -0.00211  -0.00167   2.61880
   R39        2.65610   0.00003  -0.00013   0.00149   0.00148   2.65758
   R40        2.65588  -0.00026   0.00038  -0.00010   0.00027   2.65615
   R41        2.03475   0.00022  -0.00073   0.00097   0.00024   2.03499
   R42        2.59591   0.00000  -0.00071   0.00038  -0.00018   2.59573
   R43        1.91293  -0.00002   0.00003   0.00003   0.00006   1.91299
   R44        2.53145  -0.00014   0.00025   0.00012   0.00034   2.53179
   R45        2.03654  -0.00010   0.00030   0.00002   0.00032   2.03686
   R46        4.07723  -0.00066   0.00738  -0.01095  -0.00352   4.07371
   R47        2.91706  -0.00009   0.00057   0.00010   0.00048   2.91754
   R48        2.07284  -0.00007   0.00013  -0.00028  -0.00020   2.07264
   R49        2.07259   0.00002  -0.00015  -0.00020  -0.00013   2.07245
   R50        2.07089  -0.00020   0.00030  -0.00036  -0.00014   2.07076
   R51        2.84522  -0.00051   0.00016   0.00117   0.00140   2.84662
   R52        2.07937  -0.00001  -0.00016  -0.00005  -0.00021   2.07916
   R53        2.07883   0.00007   0.00011   0.00006   0.00017   2.07901
   R54        2.62194  -0.00006  -0.00026   0.00183   0.00172   2.62366
   R55        2.65460  -0.00024   0.00030  -0.00076  -0.00054   2.65406
   R56        2.64761   0.00004   0.00013   0.00184   0.00210   2.64971
   R57        2.03539   0.00006  -0.00006   0.00024   0.00018   2.03556
   R58        2.60139  -0.00019   0.00001  -0.00067  -0.00074   2.60065
   R59        1.91304  -0.00004   0.00009  -0.00012  -0.00003   1.91300
   R60        2.52870  -0.00042   0.00014  -0.00039  -0.00023   2.52847
   R61        2.03718   0.00000   0.00005  -0.00027  -0.00022   2.03696
   R62        4.04218  -0.00004  -0.00427   0.00533   0.00119   4.04338
   R63        3.80602   0.00112  -0.00661   0.01428   0.00771   3.81374
   R64        4.22371   0.00063   0.00653   0.01126   0.01785   4.24156
   R65        4.55611  -0.00119   0.01348  -0.06663  -0.05305   4.50306
   R66        1.85560  -0.00030   0.00092  -0.00126  -0.00044   1.85516
   R67        2.12207  -0.00060   0.00216  -0.01530  -0.01332   2.10874
   R68        2.40088  -0.00067   0.00051  -0.00136  -0.00090   2.39998
   R69        2.57747  -0.00060   0.00106   0.00032   0.00132   2.57878
   R70        2.86466   0.00035  -0.00011   0.00076   0.00065   2.86531
   R71        2.77092  -0.00056   0.00088   0.00086   0.00172   2.77264
   R72        1.91473  -0.00024   0.00023  -0.00034  -0.00011   1.91462
   R73        2.90685  -0.00071   0.00077  -0.00265  -0.00199   2.90486
   R74        2.07354   0.00015  -0.00039   0.00031  -0.00008   2.07346
   R75        2.06896  -0.00001  -0.00003  -0.00002  -0.00004   2.06891
   R76        2.41024   0.00048  -0.00078  -0.00077  -0.00158   2.40866
   R77        2.55204   0.00003   0.00094  -0.00047   0.00046   2.55251
   R78        1.91846  -0.00019   0.00064  -0.00073  -0.00009   1.91838
   R79        2.78823  -0.00103   0.00081   0.00073   0.00154   2.78977
   R80        2.07088  -0.00024   0.00020  -0.00079  -0.00059   2.07029
   R81        2.06222   0.00023   0.00001   0.00050   0.00051   2.06273
   R82        2.07045  -0.00018   0.00026  -0.00029  -0.00004   2.07042
   R83        2.07255  -0.00026   0.00027  -0.00052  -0.00025   2.07230
   R84        2.06872  -0.00001   0.00013   0.00001   0.00014   2.06887
   R85        2.06899  -0.00018   0.00032  -0.00032   0.00000   2.06899
    A1        1.92461  -0.00007   0.00007  -0.00006  -0.00012   1.92450
    A2        1.93640  -0.00023  -0.00027   0.00087   0.00053   1.93694
    A3        1.95294  -0.00010  -0.00083   0.00022  -0.00079   1.95215
    A4        1.88779   0.00015   0.00066  -0.00027   0.00059   1.88838
    A5        1.87318   0.00014   0.00069  -0.00015   0.00060   1.87378
    A6        1.88647   0.00014  -0.00026  -0.00067  -0.00078   1.88569
    A7        1.98786   0.00059   0.00040   0.00341   0.00381   1.99167
    A8        1.90949  -0.00024   0.00107  -0.00001   0.00094   1.91043
    A9        1.90739  -0.00025  -0.00116   0.00090  -0.00016   1.90723
   A10        1.88102  -0.00021   0.00310  -0.00530  -0.00223   1.87879
   A11        1.91808  -0.00006  -0.00282   0.00048  -0.00235   1.91573
   A12        1.85520   0.00014  -0.00053   0.00024  -0.00028   1.85492
   A13        2.30668  -0.00080   0.00220  -0.00118   0.00086   2.30754
   A14        2.14604   0.00056  -0.00160   0.00085  -0.00080   2.14525
   A15        1.83045   0.00024  -0.00043   0.00030  -0.00022   1.83024
   A16        1.92012  -0.00021   0.00095  -0.00075   0.00010   1.92022
   A17        2.23982  -0.00046   0.00313  -0.00540  -0.00232   2.23751
   A18        2.12317   0.00067  -0.00402   0.00605   0.00195   2.12513
   A19        1.89433   0.00013  -0.00058   0.00087   0.00035   1.89468
   A20        2.19034   0.00022  -0.00130   0.00042  -0.00091   2.18943
   A21        2.19852  -0.00035   0.00185  -0.00127   0.00055   2.19907
   A22        1.92452   0.00027   0.00027   0.00052   0.00062   1.92514
   A23        2.16003  -0.00031   0.00054  -0.00103  -0.00043   2.15960
   A24        2.19855   0.00005  -0.00076   0.00053  -0.00018   2.19837
   A25        1.85520  -0.00041  -0.00024  -0.00070  -0.00076   1.85444
   A26        2.22846  -0.00023  -0.00781   0.01184   0.00453   2.23299
   A27        2.19825   0.00066   0.00688  -0.01019  -0.00269   2.19556
   A28        1.93894  -0.00013  -0.00099  -0.00191  -0.00278   1.93615
   A29        1.93369   0.00010   0.00064   0.00068   0.00147   1.93516
   A30        1.93124   0.00017  -0.00011   0.00078   0.00060   1.93184
   A31        1.88903  -0.00003  -0.00032  -0.00235  -0.00257   1.88646
   A32        1.88504   0.00001  -0.00030   0.00215   0.00168   1.88672
   A33        1.88403  -0.00013   0.00110   0.00069   0.00166   1.88570
   A34        1.97202  -0.00007   0.00008  -0.00226  -0.00284   1.96918
   A35        1.90892   0.00034  -0.00158   0.00256   0.00117   1.91008
   A36        1.91389  -0.00024   0.00057  -0.00094  -0.00013   1.91376
   A37        1.90071  -0.00015  -0.00040   0.00151   0.00126   1.90198
   A38        1.88870   0.00021   0.00032   0.00117   0.00166   1.89036
   A39        1.87716  -0.00010   0.00111  -0.00207  -0.00105   1.87612
   A40        1.92970   0.00020  -0.00110   0.00568   0.00441   1.93411
   A41        1.93933   0.00001  -0.00044  -0.00125  -0.00176   1.93757
   A42        1.90314  -0.00003   0.00112  -0.00184  -0.00056   1.90258
   A43        1.90902  -0.00029  -0.00025  -0.00034  -0.00053   1.90849
   A44        1.89327   0.00005   0.00084  -0.00295  -0.00207   1.89120
   A45        1.88831   0.00006  -0.00010   0.00054   0.00041   1.88872
   A46        2.10732   0.00030   0.00021   0.00477   0.00525   2.11257
   A47        2.03884  -0.00032  -0.00058  -0.00339  -0.00418   2.03465
   A48        2.13585   0.00002   0.00006  -0.00125  -0.00122   2.13463
   A49        1.79451   0.00022  -0.00038   0.00154   0.00121   1.79572
   A50        1.84929   0.00044   0.00120   0.00274   0.00356   1.85285
   A51        1.94016  -0.00009   0.00047   0.00014   0.00046   1.94063
   A52        1.92314  -0.00012   0.00061  -0.00053   0.00003   1.92316
   A53        1.94026   0.00022  -0.00085   0.00063  -0.00024   1.94002
   A54        1.88771   0.00007  -0.00015  -0.00230  -0.00243   1.88528
   A55        1.89043  -0.00004   0.00009   0.00043   0.00057   1.89099
   A56        1.88022  -0.00005  -0.00018   0.00161   0.00160   1.88181
   A57        1.97643  -0.00011   0.00127  -0.00432  -0.00294   1.97349
   A58        1.90332   0.00009  -0.00066   0.00141   0.00081   1.90413
   A59        1.90544  -0.00003  -0.00007   0.00121   0.00099   1.90644
   A60        1.90732  -0.00012   0.00109  -0.00003   0.00103   1.90835
   A61        1.91012   0.00021  -0.00158   0.00021  -0.00140   1.90872
   A62        1.85742  -0.00003  -0.00012   0.00191   0.00180   1.85922
   A63        2.32095  -0.00015   0.00095  -0.00317  -0.00236   2.31859
   A64        2.13629   0.00009  -0.00109   0.00269   0.00177   2.13805
   A65        1.82595   0.00006   0.00019   0.00047   0.00059   1.82654
   A66        1.91833  -0.00012  -0.00016   0.00040   0.00033   1.91865
   A67        2.24711   0.00002   0.00067  -0.00158  -0.00096   2.24615
   A68        2.11706   0.00010  -0.00041   0.00122   0.00075   2.11782
   A69        1.90170  -0.00015  -0.00027  -0.00089  -0.00111   1.90059
   A70        2.18691   0.00018  -0.00036   0.00096   0.00059   2.18750
   A71        2.19413  -0.00003   0.00057  -0.00013   0.00042   2.19456
   A72        1.91700   0.00008   0.00075   0.00002   0.00067   1.91767
   A73        2.18073   0.00009  -0.00073   0.00017  -0.00051   2.18022
   A74        2.18468  -0.00016   0.00001  -0.00034  -0.00028   2.18440
   A75        1.86179   0.00013  -0.00054   0.00001  -0.00050   1.86129
   A76        2.19570   0.00011   0.00176  -0.00083   0.00076   2.19646
   A77        2.20242  -0.00026  -0.00244   0.00175  -0.00015   2.20227
   A78        1.94146   0.00000  -0.00026  -0.00008  -0.00025   1.94121
   A79        1.94102   0.00015   0.00007  -0.00044  -0.00043   1.94059
   A80        1.92527  -0.00016  -0.00033  -0.00056  -0.00079   1.92448
   A81        1.89119  -0.00008   0.00024   0.00022   0.00035   1.89154
   A82        1.87784   0.00007  -0.00031   0.00044   0.00022   1.87806
   A83        1.88489   0.00002   0.00060   0.00047   0.00098   1.88587
   A84        1.95939   0.00000  -0.00011   0.00473   0.00490   1.96429
   A85        1.90604   0.00007   0.00038   0.00016   0.00059   1.90662
   A86        1.90708   0.00008  -0.00050  -0.00296  -0.00367   1.90341
   A87        1.91169   0.00003   0.00060  -0.00073  -0.00020   1.91149
   A88        1.92174  -0.00021  -0.00001  -0.00194  -0.00201   1.91973
   A89        1.85490   0.00004  -0.00040   0.00051   0.00014   1.85504
   A90        2.29773   0.00051  -0.00114   0.00342   0.00255   2.30028
   A91        2.15866  -0.00055   0.00095  -0.00253  -0.00183   2.15683
   A92        1.82652   0.00005   0.00012  -0.00063  -0.00052   1.82600
   A93        1.91837  -0.00024   0.00013  -0.00030  -0.00020   1.91816
   A94        2.24731   0.00019  -0.00007   0.00003  -0.00003   2.24728
   A95        2.11749   0.00005  -0.00005   0.00030   0.00025   2.11774
   A96        1.89937   0.00007  -0.00027   0.00099   0.00074   1.90011
   A97        2.19194  -0.00007   0.00042  -0.00021   0.00015   2.19209
   A98        2.19186  -0.00001  -0.00006  -0.00076  -0.00088   2.19098
   A99        1.91541  -0.00007   0.00024   0.00049   0.00082   1.91623
   A100       2.18980   0.00008  -0.00006  -0.00001  -0.00018   2.18962
   A101       2.17765   0.00000  -0.00004  -0.00026  -0.00040   2.17725
   A102       1.86511   0.00019  -0.00022  -0.00053  -0.00084   1.86427
   A103       2.23282  -0.00063  -0.00429   0.00016  -0.00364   2.22918
   A104       2.17355   0.00044   0.00412  -0.00108   0.00248   2.17603
   A105       1.74324  -0.00007   0.00089  -0.00899  -0.00861   1.73463
   A106       1.50719  -0.00027  -0.00031  -0.00289  -0.00361   1.50358
   A107       1.57805   0.00037   0.00085   0.01510   0.01467   1.59273
   A108       2.97039   0.00042  -0.00100   0.01112   0.01057   2.98096
   A109       1.59037   0.00045   0.00002   0.00707   0.00726   1.59762
   A110       1.69799   0.00040   0.00138   0.00770   0.00918   1.70717
   A111       1.61738  -0.00026  -0.00318   0.00476   0.00171   1.61909
   A112       1.54882  -0.00031   0.00036  -0.00737  -0.00692   1.54190
   A113       2.94505  -0.00039  -0.00086  -0.00055  -0.00081   2.94424
   A114       2.96570  -0.00012   0.00136  -0.01030  -0.00944   2.95626
   A115       1.53455   0.00043   0.00103  -0.00291  -0.00101   1.53355
   A116       1.49617  -0.00024  -0.00393   0.00415   0.00051   1.49668
   A117       1.63839  -0.00049  -0.00108  -0.00847  -0.00890   1.62949
   A118       1.47996   0.00010   0.00571  -0.01901  -0.01348   1.46648
   A119       1.40505  -0.00007  -0.00148   0.01066   0.00943   1.41449
   A120       2.11752  -0.00022   0.00379  -0.00984  -0.00542   2.11210
   A121       2.27853   0.00089  -0.00232  -0.01424  -0.01568   2.26286
   A122       1.78753  -0.00066  -0.00076   0.00491   0.00401   1.79154
   A123       2.04250   0.00015   0.00773  -0.01893  -0.01202   2.03048
   A124       2.92118  -0.00018  -0.00620   0.01404   0.00802   2.92921
   A125       2.12684   0.00077   0.00040   0.00217   0.00281   2.12965
   A126       2.11209  -0.00042   0.00006   0.00004  -0.00005   2.11204
   A127       2.04416  -0.00035  -0.00039  -0.00220  -0.00273   2.04143
   A128       2.38555  -0.00062   0.00069  -0.01172  -0.01045   2.37510
   A129       2.14341   0.00045   0.00027   0.00408   0.00449   2.14790
   A130       2.07165  -0.00025  -0.00010  -0.00211  -0.00246   2.06920
   A131       2.06809  -0.00019   0.00007  -0.00187  -0.00205   2.06604
   A132       1.97478   0.00006  -0.00066   0.00147   0.00102   1.97581
   A133       1.90551   0.00010  -0.00037   0.00025  -0.00011   1.90540
   A134       1.90030  -0.00012  -0.00004  -0.00034  -0.00051   1.89979
   A135       1.83059  -0.00035   0.00182  -0.00624  -0.00444   1.82615
   A136       1.94762   0.00024  -0.00107   0.00362   0.00246   1.95008
   A137       1.90276   0.00007   0.00040   0.00105   0.00148   1.90424
   A138       2.10187  -0.00040  -0.00044  -0.00174  -0.00178   2.10009
   A139       2.02467  -0.00048   0.00092   0.00278   0.00358   2.02825
   A140       2.15358   0.00091  -0.00031  -0.00079  -0.00124   2.15234
   A141       1.98237   0.00115  -0.00532   0.03291   0.02800   2.01037
   A142       2.06318   0.00019  -0.00046   0.00060   0.00033   2.06352
   A143       2.16295  -0.00025  -0.00134  -0.00349  -0.00463   2.15832
   A144       2.03411   0.00004   0.00004   0.00274   0.00297   2.03709
   A145       1.92352  -0.00021  -0.00043   0.00064   0.00020   1.92372
   A146       1.89137   0.00015  -0.00013  -0.00196  -0.00209   1.88928
   A147       1.90102  -0.00026  -0.00002   0.00116   0.00113   1.90216
   A148       1.90805   0.00025  -0.00022  -0.00004  -0.00027   1.90778
   A149       1.93135  -0.00001   0.00052   0.00488   0.00539   1.93674
   A150       1.90801   0.00008   0.00028  -0.00487  -0.00458   1.90343
   A151       1.90518   0.00008   0.00021   0.00183   0.00204   1.90722
   A152       1.90398  -0.00001  -0.00005  -0.00089  -0.00095   1.90303
   A153       1.97507   0.00005  -0.00007  -0.00013  -0.00020   1.97486
   A154       1.87694  -0.00006   0.00026  -0.00025   0.00002   1.87696
   A155       1.89430  -0.00005   0.00005   0.00000   0.00005   1.89435
   A156       1.90588  -0.00003  -0.00037  -0.00056  -0.00093   1.90495
    D1        3.11171  -0.00007   0.00309   0.00116   0.00430   3.11601
    D2        1.00565  -0.00003  -0.00188   0.00569   0.00391   1.00956
    D3       -1.01901   0.00007  -0.00119   0.00490   0.00382  -1.01519
    D4        1.02054  -0.00007   0.00240   0.00098   0.00329   1.02383
    D5       -1.08553  -0.00003  -0.00258   0.00551   0.00290  -1.08263
    D6       -3.11018   0.00008  -0.00189   0.00472   0.00281  -3.10737
    D7       -1.08791  -0.00002   0.00347   0.00108   0.00446  -1.08346
    D8        3.08921   0.00002  -0.00151   0.00560   0.00407   3.09328
    D9        1.06455   0.00013  -0.00082   0.00481   0.00398   1.06853
   D10       -2.10373   0.00001   0.01225  -0.02621  -0.01384  -2.11757
   D11        1.04182   0.00021   0.02223  -0.01812   0.00431   1.04613
   D12        0.01820  -0.00006   0.01603  -0.02781  -0.01178   0.00642
   D13       -3.11944   0.00014   0.02602  -0.01973   0.00638  -3.11306
   D14        2.03282  -0.00004   0.01565  -0.03021  -0.01457   2.01825
   D15       -1.10482   0.00016   0.02563  -0.02212   0.00358  -1.10124
   D16       -3.12207  -0.00039  -0.00491  -0.00440  -0.00953  -3.13160
   D17        0.03200  -0.00020   0.00115   0.00492   0.00585   0.03785
   D18        0.01608  -0.00056  -0.01350  -0.01142  -0.02530  -0.00921
   D19       -3.11302  -0.00038  -0.00744  -0.00210  -0.00992  -3.12294
   D20        3.12914   0.00017   0.00011  -0.00138  -0.00091   3.12823
   D21       -0.01080  -0.00003   0.00012  -0.00730  -0.00716  -0.01796
   D22       -0.00942   0.00033   0.00788   0.00483   0.01300   0.00358
   D23        3.13382   0.00013   0.00788  -0.00109   0.00675   3.14057
   D24       -0.01688   0.00059   0.01417   0.01386   0.02838   0.01151
   D25       -3.10638   0.00018   0.00327  -0.00521  -0.00317  -3.10955
   D26        3.11321   0.00041   0.00849   0.00518   0.01414   3.12735
   D27        0.02371   0.00000  -0.00241  -0.01389  -0.01742   0.00629
   D28       -0.00082   0.00003   0.00076   0.00373   0.00439   0.00357
   D29       -3.12856  -0.00022   0.00197   0.00216   0.00350  -3.12506
   D30        3.13911   0.00022   0.00075   0.00968   0.01069  -3.13339
   D31        0.01136  -0.00002   0.00196   0.00812   0.00980   0.02116
   D32        0.01064  -0.00037  -0.00899  -0.01061  -0.01974  -0.00910
   D33        3.10131   0.00000   0.00430   0.00887   0.01122   3.11253
   D34        3.13801  -0.00012  -0.01027  -0.00902  -0.01882   3.11918
   D35       -0.05451   0.00025   0.00302   0.01047   0.01213  -0.04237
   D36        1.87689   0.00019   0.00081   0.02949   0.02995   1.90684
   D37       -2.71730   0.00056   0.00211   0.03722   0.03907  -2.67823
   D38        0.25754   0.00039   0.00390   0.02216   0.02591   0.28346
   D39       -1.76706  -0.00001   0.00507  -0.05131  -0.04643  -1.81349
   D40       -1.22254   0.00028  -0.00184   0.04085   0.03899  -1.18356
   D41       -1.20294  -0.00026  -0.01387   0.00642  -0.00751  -1.21045
   D42        0.48606   0.00010  -0.01257   0.01415   0.00161   0.48767
   D43       -2.82228  -0.00006  -0.01078  -0.00091  -0.01155  -2.83383
   D44        1.43630  -0.00047  -0.00961  -0.07438  -0.08389   1.35241
   D45        1.98082  -0.00017  -0.01652   0.01778   0.00152   1.98234
   D46        1.06394  -0.00001   0.01240  -0.00844   0.00413   1.06808
   D47       -3.09901   0.00001   0.01078  -0.00621   0.00467  -3.09435
   D48       -1.04448  -0.00006   0.01153  -0.00776   0.00401  -1.04047
   D49       -1.03645   0.00005   0.01304  -0.00466   0.00825  -1.02821
   D50        1.08377   0.00006   0.01142  -0.00243   0.00878   1.09256
   D51        3.13831   0.00000   0.01217  -0.00398   0.00812  -3.13675
   D52       -3.12550   0.00003   0.01131  -0.00648   0.00481  -3.12069
   D53       -1.00527   0.00004   0.00969  -0.00424   0.00535  -0.99992
   D54        1.04926  -0.00002   0.01044  -0.00579   0.00469   1.05395
   D55       -1.06995   0.00033   0.00484  -0.01103  -0.00618  -1.07614
   D56        1.05330   0.00011   0.00345  -0.00843  -0.00504   1.04827
   D57        3.13314   0.00017   0.00377  -0.00970  -0.00596   3.12718
   D58        3.08838   0.00004   0.00711  -0.01386  -0.00668   3.08170
   D59       -1.07155  -0.00018   0.00572  -0.01126  -0.00553  -1.07708
   D60        1.00829  -0.00012   0.00604  -0.01253  -0.00646   1.00183
   D61        1.05274   0.00012   0.00584  -0.01286  -0.00703   1.04570
   D62       -3.10720  -0.00010   0.00445  -0.01026  -0.00588  -3.11308
   D63       -1.02735  -0.00004   0.00477  -0.01153  -0.00681  -1.03416
   D64       -0.93496  -0.00008   0.00244  -0.00081   0.00142  -0.93354
   D65        2.15557  -0.00016  -0.00379   0.00212  -0.00185   2.15372
   D66       -3.07600  -0.00003   0.00390  -0.00274   0.00109  -3.07491
   D67        0.01454  -0.00011  -0.00234   0.00018  -0.00219   0.01235
   D68        1.15109   0.00003   0.00369  -0.00150   0.00208   1.15317
   D69       -2.04156  -0.00005  -0.00255   0.00142  -0.00120  -2.04276
   D70        2.87033  -0.00007  -0.00554   0.02111   0.01565   2.88599
   D71       -0.21730   0.00003   0.00105   0.01807   0.01919  -0.19811
   D72       -2.89621   0.00019  -0.00109  -0.01195  -0.01325  -2.90947
   D73        0.19342   0.00012  -0.00740  -0.00878  -0.01637   0.17705
   D74        0.09566  -0.00037   0.01246  -0.02627  -0.01397   0.08170
   D75        0.26266  -0.00023   0.00827   0.00077   0.00927   0.27193
   D76       -1.05099   0.00009  -0.00107  -0.00329  -0.00443  -1.05542
   D77        1.07665  -0.00007   0.00069  -0.00523  -0.00452   1.07213
   D78        3.09943  -0.00008   0.00014  -0.00150  -0.00136   3.09807
   D79        3.13966   0.00014  -0.00159  -0.00016  -0.00170   3.13795
   D80       -1.01589  -0.00002   0.00018  -0.00209  -0.00179  -1.01768
   D81        1.00689  -0.00002  -0.00037   0.00164   0.00137   1.00826
   D82        1.05643   0.00014  -0.00122  -0.00222  -0.00356   1.05287
   D83       -3.09912  -0.00003   0.00055  -0.00416  -0.00365  -3.10276
   D84       -1.07633  -0.00003   0.00000  -0.00043  -0.00049  -1.07683
   D85       -0.22022   0.00009  -0.02445   0.10958   0.08526  -0.13496
   D86        2.91968   0.00003  -0.01789   0.10041   0.08272   3.00240
   D87       -2.34562   0.00013  -0.02523   0.11072   0.08548  -2.26015
   D88        0.79428   0.00008  -0.01867   0.10155   0.08294   0.87722
   D89        1.90993   0.00012  -0.02482   0.10833   0.08352   1.99345
   D90       -1.23335   0.00007  -0.01826   0.09916   0.08098  -1.15237
   D91        3.13506  -0.00006   0.00668  -0.00466   0.00224   3.13730
   D92        0.03341  -0.00008   0.00427  -0.00575  -0.00144   0.03197
   D93       -0.00506  -0.00001   0.00101   0.00334   0.00445  -0.00061
   D94       -3.10671  -0.00003  -0.00140   0.00225   0.00077  -3.10594
   D95       -3.13499   0.00011  -0.00394   0.00586   0.00185  -3.13314
   D96       -0.02388   0.00005  -0.00521   0.00394  -0.00128  -0.02516
   D97        0.00532   0.00007   0.00108  -0.00107  -0.00008   0.00524
   D98        3.11644   0.00001  -0.00018  -0.00300  -0.00321   3.11322
   D99        0.00297  -0.00006  -0.00277  -0.00443  -0.00727  -0.00430
   D100      -2.91919   0.00008   0.00153  -0.00897  -0.00776  -2.92695
   D101       3.10811  -0.00004  -0.00054  -0.00351  -0.00395   3.10415
   D102       0.18595   0.00010   0.00376  -0.00805  -0.00445   0.18150
   D103      -0.00372  -0.00011  -0.00290  -0.00168  -0.00454  -0.00826
   D104       3.09743  -0.00004  -0.00220  -0.00538  -0.00755   3.08989
   D105      -3.11468  -0.00005  -0.00161   0.00023  -0.00139  -3.11607
   D106      -0.01352   0.00002  -0.00091  -0.00346  -0.00440  -0.01793
   D107       0.00050   0.00010   0.00343   0.00369   0.00714   0.00764
   D108       2.92156   0.00002  -0.00001   0.00783   0.00778   2.92935
   D109      -3.10055   0.00002   0.00276   0.00738   0.01017  -3.09038
   D110      -0.17948  -0.00005  -0.00068   0.01152   0.01081  -0.16867
   D111      -0.49416  -0.00013   0.00104  -0.03324  -0.03180  -0.52596
   D112      -2.02217   0.00009   0.00107  -0.03050  -0.02854  -2.05071
   D113       1.09213   0.00020   0.00124  -0.01751  -0.01705   1.07508
   D114       2.72958  -0.00030   0.00009  -0.02642  -0.02631   2.70327
   D115       2.42993  -0.00018   0.01375  -0.09210  -0.07824   2.35169
   D116       2.90877  -0.00003   0.00563  -0.03834  -0.03238   2.87640
   D117       1.38076   0.00019   0.00565  -0.03560  -0.02911   1.35165
   D118      -1.78812   0.00030   0.00582  -0.02261  -0.01762  -1.80575
   D119      -0.15068  -0.00019   0.00467  -0.03151  -0.02689  -0.17757
   D120      -0.45032  -0.00008   0.01833  -0.09720  -0.07882  -0.52914
   D121      -1.06262   0.00009  -0.00158   0.00455   0.00314  -1.05949
   D122       3.09682   0.00001  -0.00256   0.00222  -0.00028   3.09654
   D123       1.07463  -0.00012  -0.00201   0.00317   0.00127   1.07590
   D124       1.04717   0.00009  -0.00140   0.00448   0.00312   1.05029
   D125      -1.07658   0.00001  -0.00238   0.00215  -0.00029  -1.07687
   D126      -3.09877  -0.00012  -0.00183   0.00309   0.00125  -3.09752
   D127       3.13813   0.00011  -0.00082   0.00441   0.00355  -3.14150
   D128       1.01439   0.00003  -0.00180   0.00209   0.00013   1.01452
   D129      -1.00780  -0.00010  -0.00125   0.00303   0.00168  -1.00612
   D130       0.21346   0.00013   0.01347   0.00994   0.02325   0.23672
   D131      -2.89873  -0.00018   0.01380  -0.00383   0.00973  -2.88900
   D132       2.33398   0.00024   0.01432   0.01280   0.02714   2.36112
   D133      -0.77821  -0.00007   0.01465  -0.00097   0.01361  -0.76460
   D134      -1.91546   0.00018   0.01419   0.01187   0.02603  -1.88943
   D135       1.25554  -0.00013   0.01451  -0.00190   0.01250   1.26803
   D136      -3.11540  -0.00001  -0.00297  -0.00731  -0.01053  -3.12593
   D137       0.03316  -0.00019  -0.00115  -0.01303  -0.01421   0.01895
   D138       0.00090   0.00024  -0.00322   0.00450   0.00109   0.00199
   D139      -3.13372   0.00006  -0.00140  -0.00122  -0.00259  -3.13631
   D140       3.12049  -0.00007   0.00153   0.00476   0.00649   3.12698
   D141      -0.01445   0.00011  -0.00332   0.00225  -0.00102  -0.01546
   D142       0.00161  -0.00032   0.00182  -0.00594  -0.00399  -0.00238
   D143      -3.13333  -0.00014  -0.00304  -0.00846  -0.01149   3.13836
   D144      -0.00313  -0.00007   0.00349  -0.00139   0.00225  -0.00088
   D145       2.97878   0.00000   0.00065  -0.01137  -0.01043   2.96835
   D146       3.13210   0.00009   0.00184   0.00383   0.00561   3.13771
   D147      -0.16917   0.00016  -0.00100  -0.00614  -0.00707  -0.17624
   D148      -0.00367   0.00029   0.00030   0.00538   0.00563   0.00196
   D149      -3.11853   0.00015  -0.00395  -0.00348  -0.00753  -3.12606
   D150       3.13127   0.00011   0.00519   0.00790   0.01313  -3.13878
   D151       0.01641  -0.00003   0.00094  -0.00097  -0.00003   0.01639
   D152       0.00413  -0.00014  -0.00229  -0.00246  -0.00480  -0.00067
   D153      -2.98462  -0.00008   0.00128   0.00695   0.00808  -2.97654
   D154       3.11921   0.00000   0.00192   0.00633   0.00825   3.12746
   D155       0.13046   0.00006   0.00549   0.01574   0.02113   0.15159
   D156      -1.47935   0.00029   0.00148  -0.00356  -0.00187  -1.48121
   D157       0.25741   0.00017   0.00229  -0.01331  -0.01142   0.24598
   D158      -2.72778  -0.00059   0.01598  -0.09754  -0.08207  -2.80986
   D159       1.80139  -0.00010   0.00266  -0.02142  -0.01892   1.78247
   D160      -3.07457  -0.00019   0.00120  -0.01062  -0.00940  -3.08397
   D161       1.47646   0.00033  -0.00233  -0.01510  -0.01707   1.45939
   D162      -3.06997   0.00021  -0.00153  -0.02484  -0.02663  -3.09660
   D163       0.22802  -0.00055   0.01216  -0.10907  -0.09728   0.13074
   D164      -1.52599  -0.00007  -0.00116  -0.03295  -0.03412  -1.56011
   D165      -0.11876  -0.00016  -0.00262  -0.02216  -0.02461  -0.14337
   D166       1.92871  -0.00039  -0.00139  -0.00538  -0.00737   1.92135
   D167      -0.66192  -0.00018  -0.00903   0.04273   0.03319  -0.62873
   D168       0.18494  -0.00033  -0.00236   0.00281   0.00048   0.18541
   D169      -2.40569  -0.00013  -0.00999   0.05092   0.04103  -2.36466
   D170      -3.11196   0.00043  -0.01594   0.08656   0.07072  -3.04123
   D171       0.58060   0.00064  -0.02358   0.13467   0.11128   0.69187
   D172      -1.36696   0.00002  -0.00242   0.01027   0.00772  -1.35924
   D173       2.32559   0.00023  -0.01006   0.05838   0.04828   2.37387
   D174      -2.76468   0.00003  -0.00149   0.00025  -0.00168  -2.76636
   D175       0.92787   0.00024  -0.00912   0.04836   0.03888   0.96675
   D176       0.43376   0.00024   0.00405   0.06420   0.06829   0.50205
   D177       3.08100   0.00003   0.00824  -0.01601  -0.00763   3.07337
   D178       1.38209  -0.00038   0.00685  -0.02408  -0.01713   1.36496
   D179      -1.58618  -0.00025   0.00508  -0.01157  -0.00615  -1.59233
   D180      -0.11907  -0.00007   0.01109  -0.02851  -0.01757  -0.13664
   D181       1.98379  -0.00004  -0.00633   0.03003   0.02333   2.00713
   D182      -0.94353   0.00001  -0.01879   0.08836   0.06949  -0.87404
   D183      -2.79386  -0.00036  -0.00673   0.02669   0.01917  -2.77468
   D184       0.40749  -0.00038  -0.00723   0.01587   0.00959   0.41708
   D185      -1.24740   0.00013  -0.00478   0.02230   0.01740  -1.22999
   D186      -2.66312   0.00010  -0.01593   0.05521   0.03931  -2.62382
   D187       0.05897   0.00035  -0.01112   0.01438   0.00321   0.06217
   D188       2.28201  -0.00023   0.01218  -0.05444  -0.04128   2.24073
   D189      -0.38394  -0.00006   0.00586  -0.01046  -0.00508  -0.38902
   D190       0.87562  -0.00028  -0.01233   0.00772  -0.00417   0.87146
   D191      -2.28112  -0.00039  -0.00972   0.00828  -0.00108  -2.28220
   D192       0.04689   0.00018   0.00391   0.01272   0.01673   0.06362
   D193      -3.08605   0.00009  -0.00164  -0.00119  -0.00283  -3.08889
   D194      -3.08012   0.00029   0.00138   0.01217   0.01374  -3.06637
   D195       0.07013   0.00020  -0.00418  -0.00174  -0.00582   0.06431
   D196      -1.12747   0.00008  -0.00227   0.00301   0.00077  -1.12670
   D197       0.91892   0.00005  -0.00187   0.00325   0.00141   0.92033
   D198       3.04428   0.00005  -0.00243   0.00180  -0.00060   3.04368
   D199       1.99966  -0.00002   0.00021   0.00358   0.00375   2.00341
   D200      -2.23713  -0.00005   0.00061   0.00381   0.00439  -2.23274
   D201      -0.11178  -0.00005   0.00005   0.00237   0.00239  -0.10939
   D202      -1.39066   0.00023  -0.00370  -0.00270  -0.00654  -1.39720
   D203       0.64071  -0.00010  -0.00207  -0.00941  -0.01151   0.62921
   D204       2.71628  -0.00003  -0.00182  -0.00820  -0.01008   2.70620
   D205       1.74230   0.00033   0.00185   0.01118   0.01299   1.75529
   D206      -2.50951   0.00000   0.00347   0.00447   0.00802  -2.50149
   D207      -0.43395   0.00006   0.00372   0.00569   0.00945  -0.42450
   D208       0.64857  -0.00028  -0.00007   0.00813   0.00820   0.65677
   D209      -2.57439   0.00012   0.00420   0.01154   0.01589  -2.55850
   D210      -1.42664  -0.00021  -0.00041   0.01100   0.01059  -1.41604
   D211       1.63359   0.00019   0.00386   0.01441   0.01828   1.65187
   D212       2.79890  -0.00021  -0.00142   0.01157   0.01020   2.80910
   D213      -0.42406   0.00019   0.00284   0.01499   0.01789  -0.40617
   D214       1.02646   0.00008   0.00067  -0.01299  -0.01206   1.01439
   D215      -2.02754  -0.00028  -0.00396  -0.01683  -0.02055  -2.04808
   D216      -0.02642  -0.00002  -0.01326   0.00900  -0.00428  -0.03071
   D217      -2.93124   0.00004  -0.00743   0.00935   0.00190  -2.92934
   D218       3.03114   0.00033  -0.00886   0.01248   0.00364   3.03478
   D219       0.12632   0.00038  -0.00303   0.01284   0.00983   0.13615
   D220      -2.25387  -0.00029  -0.00467   0.00218  -0.00250  -2.25637
   D221      -0.16667  -0.00002  -0.00529   0.00130  -0.00399  -0.17066
   D222       1.90746   0.00002  -0.00500  -0.00501  -0.01003   1.89742
   D223       1.12090  -0.00026   0.00110   0.00278   0.00390   1.12480
   D224      -3.07508   0.00002   0.00049   0.00191   0.00242  -3.07267
   D225      -1.00096   0.00005   0.00078  -0.00441  -0.00363  -1.00459
         Item               Value     Threshold  Converged?
 Maximum Force            0.002026     0.000450     NO 
 RMS     Force            0.000346     0.000300     NO 
 Maximum Displacement     0.202117     0.001800     NO 
 RMS     Displacement     0.034488     0.001200     NO 
 Predicted change in Energy=-4.332719D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.896619    2.781691    3.503917
      2          6           0       -3.235217    1.380567    3.626825
      3          6           0       -1.983411    1.217384    2.807023
      4          6           0       -1.638425    0.328519    1.799355
      5          7           0       -0.845358    2.022229    2.982887
      6          6           0        0.123607    1.609779    2.097719
      7          7           0       -0.327568    0.586416    1.357420
      8          6           0       -5.129705    1.134588    0.120199
      9          6           0       -5.878146    0.087903   -0.734230
     10          6           0       -5.340230   -1.351154   -0.529469
     11          6           0       -3.876104   -1.447099   -0.946757
     12          8           0       -3.496195   -1.067217   -2.100909
     13          8           0       -3.014745   -1.887458   -0.017359
     14          6           0       -2.022494    4.282661   -3.067161
     15          6           0       -0.704239    3.913560   -3.779869
     16          6           0        0.035739    2.788568   -3.106307
     17          6           0       -0.157884    2.116190   -1.910111
     18          7           0        1.170868    2.183530   -3.674799
     19          6           0        1.612515    1.189728   -2.835701
     20          7           0        0.828848    1.127952   -1.750793
     21          6           0        4.916345    3.815485    1.408505
     22          6           0        5.220647    2.460759    2.083577
     23          6           0        4.229295    1.391459    1.705485
     24          6           0        3.270150    1.331439    0.703466
     25          7           0        4.101430    0.172972    2.392123
     26          6           0        3.098149   -0.564798    1.806405
     27          7           0        2.576962    0.114914    0.778484
     28         30           0        0.808308   -0.451707   -0.284042
     29          1           0       -4.813742    2.822694    4.103619
     30          1           0       -4.158788    3.002374    2.461154
     31          1           0       -3.231843    3.581801    3.865097
     32          1           0       -3.947510    0.610271    3.303562
     33          1           0       -3.015799    1.173100    4.688384
     34          1           0       -2.244568   -0.447318    1.357436
     35          1           0       -0.759662    2.779917    3.647764
     36          1           0        1.103824    2.052362    2.034614
     37          1           0       -4.065283    1.168355   -0.144749
     38          1           0       -5.207632    0.894858    1.190433
     39          1           0       -5.552099    2.136386   -0.035638
     40          1           0       -6.948231    0.108541   -0.483524
     41          1           0       -5.783461    0.343202   -1.796617
     42          1           0       -5.440977   -1.663349    0.516438
     43          1           0       -5.923606   -2.043279   -1.152207
     44          1           0       -2.712184    3.430709   -3.043451
     45          1           0       -2.518842    5.106006   -3.592762
     46          1           0       -1.837513    4.606208   -2.034839
     47          1           0       -0.924061    3.633338   -4.820950
     48          1           0       -0.055391    4.801809   -3.824989
     49          1           0       -0.939593    2.249790   -1.181601
     50          1           0        1.574690    2.422994   -4.571658
     51          1           0        2.439940    0.530499   -3.042010
     52          1           0        4.952949    3.731556    0.315542
     53          1           0        3.924544    4.186567    1.693758
     54          1           0        5.658202    4.564122    1.708446
     55          1           0        5.221093    2.591992    3.175966
     56          1           0        6.238169    2.143854    1.810490
     57          1           0        3.037656    2.063018   -0.052207
     58          1           0        4.656801   -0.116279    3.187538
     59          1           0        2.767480   -1.538377    2.129984
     60          8           0       -0.894412   -1.246280   -1.020448
     61          1           0       -1.263891   -0.944181   -1.878337
     62          1           0       -1.798865   -1.616150   -0.481569
     63          6           0        2.706918   -2.777220   -1.605027
     64          8           0        2.117916   -1.653153   -1.654951
     65          7           0        2.057749   -3.918337   -1.232665
     66          6           0        0.621431   -3.961843   -0.936309
     67          6           0        0.278515   -3.457007    0.474538
     68          8           0        0.911298   -2.471119    0.976772
     69          7           0       -0.767375   -4.055726    1.084552
     70          1           0        0.093267   -3.277112   -1.611655
     71          1           0        0.256765   -4.980762   -1.102016
     72          1           0        2.589368   -4.778274   -1.166227
     73          1           0       -1.274672   -4.772227    0.574819
     74          6           0       -1.401976   -3.540681    2.313950
     75          1           0       -1.480382   -4.337302    3.061933
     76          1           0       -0.779546   -2.735346    2.708281
     77          1           0       -2.390204   -3.139253    2.063678
     78          6           0        4.171300   -2.908966   -1.975527
     79          1           0        4.298872   -2.669375   -3.038015
     80          1           0        4.751985   -2.180152   -1.400884
     81          1           0        4.572742   -3.911287   -1.794074
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0954222      0.0728587      0.0661532
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4906.3242520128 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33681 LenP2D=  122033.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999974    0.005231    0.000755   -0.004963 Ang=   0.83 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97430604     A.U. after   11 cycles
            NFock= 11  Conv=0.56D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33681 LenP2D=  122033.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000409525    0.000945367    0.000454830
      3        6          -0.001138273   -0.000016274    0.001071104
      4        6           0.001314945   -0.001317361   -0.000899922
      5        7          -0.000377049    0.000334863   -0.000517709
      6        6           0.001135235    0.000004023    0.001071493
      7        7          -0.000796442   -0.000680256    0.000552825
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000106950    0.000227277    0.000639741
     10        6           0.000462754    0.000325490   -0.000768981
     11        6          -0.002081184   -0.000301126    0.001865801
     12        8           0.000316863    0.000293890    0.000399578
     13        8           0.001723543    0.000398153   -0.001001695
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000103159   -0.000026790    0.000141862
     16        6          -0.000555248   -0.000243429   -0.000655280
     17        6          -0.000399480    0.000534288    0.000791463
     18        7           0.000562846    0.000042672    0.000116894
     19        6          -0.000234685    0.000091847   -0.000088604
     20        7           0.000139267    0.000802417   -0.000701813
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000305447    0.000295928    0.000094347
     23        6           0.001179388   -0.000792491   -0.000182902
     24        6          -0.000996792    0.000127554   -0.000368558
     25        7          -0.000485579   -0.000058537   -0.000211519
     26        6          -0.000196263   -0.000057946   -0.000824785
     27        7          -0.002131380    0.000835252   -0.000449053
     28       30           0.003726749    0.000019478    0.005251709
     29        1          -0.000217637    0.000091600   -0.000122937
     30        1          -0.000627954    0.000608664    0.000994163
     31        1           0.000399324    0.001218332   -0.000725586
     32        1          -0.000367879   -0.001386488    0.000749975
     33        1           0.000959024   -0.000745573   -0.001494394
     34        1           0.000315459    0.000448276   -0.000478251
     35        1          -0.000255624   -0.000185791   -0.000210067
     36        1           0.000570776   -0.000429922   -0.000211970
     37        1           0.000083561   -0.000095614    0.000058118
     38        1           0.000246295   -0.000156719   -0.000270492
     39        1          -0.000079833   -0.000096049    0.000238795
     40        1          -0.000044486    0.000209923   -0.000263409
     41        1           0.000068553   -0.000186395   -0.000078727
     42        1          -0.000301699   -0.000094778   -0.000312772
     43        1           0.000168689    0.000162923   -0.000034452
     44        1          -0.000159915   -0.000013237   -0.000026338
     45        1          -0.000085932   -0.000022981    0.000040884
     46        1           0.000187203   -0.000032351   -0.000171668
     47        1          -0.000016352    0.000017346    0.000072987
     48        1           0.000241235   -0.000073982   -0.000256414
     49        1          -0.000084740   -0.000108001    0.000272373
     50        1          -0.000119866    0.000029535    0.000094457
     51        1           0.000076299   -0.000131307    0.000346969
     52        1           0.000083851   -0.000002178   -0.000005290
     53        1           0.000105240   -0.000165135   -0.000093925
     54        1           0.000050463    0.000186911   -0.000016517
     55        1          -0.000010985    0.000039997    0.000010571
     56        1          -0.000079654    0.000345599   -0.000132652
     57        1           0.000182602    0.000022868    0.000068786
     58        1           0.000154153   -0.000102886    0.000173319
     59        1           0.000241548    0.000025504    0.000236418
     60        8          -0.002634862    0.000441304   -0.002559833
     61        1           0.000452682    0.000728701    0.000112656
     62        1           0.000495813   -0.000162967   -0.000122103
     63        6           0.000997844    0.000983672    0.001041564
     64        8          -0.001155030   -0.000860207   -0.000842225
     65        7           0.000525174   -0.000328569   -0.000063472
     66        6          -0.000716774   -0.000085702    0.000308089
     67        6           0.000966321    0.000458676   -0.000127788
     68        8          -0.000641559   -0.001982472   -0.000417988
     69        7           0.000597044    0.000192194    0.000263814
     70        1           0.000171531   -0.000096140   -0.000192061
     71        1          -0.000053482   -0.000033783   -0.000011230
     72        1           0.000144638   -0.000094271    0.000031265
     73        1          -0.000359884    0.000248102    0.000360739
     74        6          -0.000703902   -0.000724437   -0.000650649
     75        1           0.000550198    0.000205601   -0.000422002
     76        1          -0.000098560   -0.000008241    0.000072442
     77        1          -0.000085555    0.000388145   -0.000096194
     78        6          -0.000389771   -0.000067058   -0.000396852
     79        1           0.000088250    0.000105599    0.000200975
     80        1          -0.000037016   -0.000046470   -0.000067750
     81        1           0.000085251   -0.000155427   -0.000054157
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.005251709 RMS     0.000716491

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.002068309 RMS     0.000351503
 Search for a local minimum.
 Step number  25 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   23   24   25
 DE= -4.01D-04 DEPred=-4.33D-04 R= 9.24D-01
 TightC=F SS=  1.41D+00  RLast= 3.94D-01 DXNew= 5.0454D+00 1.1813D+00
 Trust test= 9.24D-01 RLast= 3.94D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  0  1  0
     Eigenvalues ---    0.00111   0.00152   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00236   0.00334   0.00377   0.00523   0.00528
     Eigenvalues ---    0.00560   0.00630   0.00655   0.00703   0.00741
     Eigenvalues ---    0.00764   0.00789   0.00844   0.00947   0.01015
     Eigenvalues ---    0.01181   0.01235   0.01293   0.01379   0.01432
     Eigenvalues ---    0.01463   0.01628   0.01677   0.01691   0.01737
     Eigenvalues ---    0.01805   0.01860   0.01872   0.01890   0.01920
     Eigenvalues ---    0.01949   0.02028   0.02048   0.02102   0.02233
     Eigenvalues ---    0.02253   0.02287   0.02323   0.02493   0.02535
     Eigenvalues ---    0.02878   0.03195   0.03450   0.03682   0.03837
     Eigenvalues ---    0.03991   0.04127   0.04288   0.04404   0.04541
     Eigenvalues ---    0.04661   0.04834   0.05091   0.05296   0.05324
     Eigenvalues ---    0.05382   0.05390   0.05409   0.05438   0.05478
     Eigenvalues ---    0.05492   0.05514   0.05529   0.05558   0.05618
     Eigenvalues ---    0.05984   0.06079   0.06910   0.07002   0.07343
     Eigenvalues ---    0.07472   0.07588   0.07719   0.07788   0.08294
     Eigenvalues ---    0.08451   0.09100   0.09349   0.09389   0.09452
     Eigenvalues ---    0.09781   0.09959   0.10244   0.10405   0.10935
     Eigenvalues ---    0.11507   0.12224   0.12613   0.12875   0.12945
     Eigenvalues ---    0.13050   0.13586   0.14230   0.14919   0.15491
     Eigenvalues ---    0.15774   0.15830   0.15936   0.15951   0.15981
     Eigenvalues ---    0.15989   0.15991   0.15993   0.15997   0.15998
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16004   0.16004   0.16006   0.16011   0.16017
     Eigenvalues ---    0.16033   0.16049   0.16061   0.16077   0.16106
     Eigenvalues ---    0.16164   0.16200   0.16247   0.16303   0.16902
     Eigenvalues ---    0.17954   0.18354   0.20697   0.20973   0.21264
     Eigenvalues ---    0.21831   0.22112   0.22469   0.22475   0.22751
     Eigenvalues ---    0.22790   0.22995   0.23117   0.23549   0.23761
     Eigenvalues ---    0.24020   0.24229   0.24531   0.24961   0.25049
     Eigenvalues ---    0.25195   0.25887   0.26991   0.27278   0.27737
     Eigenvalues ---    0.28172   0.28333   0.28528   0.29189   0.30254
     Eigenvalues ---    0.30685   0.30908   0.31506   0.31621   0.32103
     Eigenvalues ---    0.33610   0.33614   0.33633   0.33659   0.33664
     Eigenvalues ---    0.33774   0.33804   0.33856   0.33869   0.33919
     Eigenvalues ---    0.33931   0.33950   0.33985   0.33999   0.34017
     Eigenvalues ---    0.34031   0.34056   0.34071   0.34089   0.34091
     Eigenvalues ---    0.34130   0.34172   0.34178   0.34181   0.34194
     Eigenvalues ---    0.34263   0.34303   0.34374   0.34620   0.35476
     Eigenvalues ---    0.35502   0.35756   0.36152   0.36232   0.36340
     Eigenvalues ---    0.36507   0.36527   0.38900   0.39144   0.39624
     Eigenvalues ---    0.40579   0.42324   0.42638   0.43124   0.43917
     Eigenvalues ---    0.45281   0.45438   0.45499   0.45533   0.45583
     Eigenvalues ---    0.45600   0.45657   0.46524   0.48958   0.49363
     Eigenvalues ---    0.49749   0.49860   0.50084   0.52265   0.54589
     Eigenvalues ---    0.54899   0.55135   0.57201   0.67121   0.73242
     Eigenvalues ---    0.763751000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    25   24   23   22   21
 RFO step:  Lambda=-1.18572317D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.22132   -0.09310   -0.15417    0.05950   -0.03354
 Iteration  1 RMS(Cart)=  0.03306357 RMS(Int)=  0.00093317
 Iteration  2 RMS(Cart)=  0.00184481 RMS(Int)=  0.00020055
 Iteration  3 RMS(Cart)=  0.00000352 RMS(Int)=  0.00020055
 Iteration  4 RMS(Cart)=  0.00000578 RMS(Int)=  0.00020056
 Iteration  5 RMS(Cart)=  0.00000001 RMS(Int)=  0.00020056
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48447   0.00102  -0.00003   0.00000   0.00000   8.48447
    Y1       -0.92761   0.00047   0.00001   0.00000   0.00000  -0.92761
    Z1        7.47499   0.00035  -0.00002   0.00000   0.00000   7.47499
    X8       10.19808   0.00040   0.00002   0.00000   0.00000  10.19808
    Y8        1.20620   0.00019  -0.00002   0.00000   0.00000   1.20620
    Z8        0.50969   0.00030   0.00002   0.00000   0.00000   0.50969
   X14        7.21038  -0.00017   0.00000   0.00000   0.00000   7.21038
   Y14       -7.64139   0.00013   0.00001   0.00000   0.00000  -7.64139
   Z14       -3.84249  -0.00015  -0.00001   0.00000   0.00000  -3.84249
   X21       -6.13876  -0.00010   0.00002   0.00000   0.00000  -6.13876
   Y21       -9.38867  -0.00052   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00009   0.00001   0.00000   0.00000   4.09468
    R1        2.93712  -0.00207   0.00145  -0.00308  -0.00191   2.93520
    R2        2.07219  -0.00019  -0.00008  -0.00020   0.00009   2.07228
    R3        2.07422  -0.00130  -0.00011  -0.00096  -0.00120   2.07301
    R4        2.08089  -0.00147  -0.00028  -0.00053  -0.00092   2.07998
    R5        2.84448  -0.00055   0.00048  -0.00043  -0.00036   2.84411
    R6        2.07459  -0.00159  -0.00029  -0.00061  -0.00090   2.07369
    R7        2.08564  -0.00189   0.00017  -0.00142  -0.00124   2.08440
    R8        2.62154  -0.00018   0.00019  -0.00050  -0.00038   2.62116
    R9        2.65496  -0.00037   0.00054  -0.00022   0.00019   2.65515
   R10        2.65919  -0.00017   0.00132   0.00030   0.00149   2.66068
   R11        2.03935   0.00071  -0.00043   0.00105   0.00062   2.03997
   R12        2.59968  -0.00116   0.00004  -0.00110  -0.00133   2.59836
   R13        1.91180  -0.00010   0.00002  -0.00006  -0.00003   1.91176
   R14        2.53454   0.00038  -0.00016   0.00043   0.00022   2.53476
   R15        2.03590  -0.00011   0.00023  -0.00025  -0.00002   2.03588
   R16        4.25180   0.00019   0.00198  -0.00611  -0.00448   4.24732
   R17        2.91886   0.00020  -0.00115   0.00169   0.00060   2.91946
   R18        2.07382  -0.00005   0.00015   0.00003   0.00030   2.07413
   R19        2.07779  -0.00033   0.00010   0.00007   0.00006   2.07785
   R20        2.07552   0.00004  -0.00004  -0.00088  -0.00096   2.07456
   R21        2.92887   0.00007  -0.00075   0.00057  -0.00012   2.92875
   R22        2.07729  -0.00002  -0.00004  -0.00019  -0.00023   2.07706
   R23        2.07251   0.00016  -0.00010   0.00039   0.00028   2.07280
   R24        2.88268  -0.00019  -0.00005  -0.00007   0.00002   2.88270
   R25        2.07142  -0.00029  -0.00009  -0.00048  -0.00057   2.07084
   R26        2.07626   0.00018  -0.00006   0.00041   0.00034   2.07661
   R27        2.40576  -0.00062  -0.00032  -0.00014  -0.00045   2.40530
   R28        2.53508  -0.00177   0.00002  -0.00304  -0.00315   2.53192
   R29        4.24573  -0.00035   0.01078   0.02292   0.03383   4.27957
   R30        2.51232   0.00070   0.00338   0.01343   0.01685   2.52916
   R31        2.91654   0.00005  -0.00030  -0.00115  -0.00143   2.91511
   R32        2.07187  -0.00006   0.00020  -0.00006   0.00013   2.07200
   R33        2.07053  -0.00006  -0.00008  -0.00001  -0.00010   2.07043
   R34        2.07405  -0.00019  -0.00008   0.00014   0.00007   2.07412
   R35        2.84519   0.00052  -0.00041   0.00080   0.00040   2.84559
   R36        2.07930  -0.00007   0.00003   0.00000   0.00002   2.07932
   R37        2.08044  -0.00004   0.00007   0.00002   0.00009   2.08053
   R38        2.61880   0.00074  -0.00069   0.00105   0.00036   2.61916
   R39        2.65758  -0.00027   0.00046   0.00045   0.00092   2.65850
   R40        2.65615  -0.00028   0.00007   0.00006   0.00014   2.65629
   R41        2.03499   0.00010   0.00014  -0.00043  -0.00029   2.03470
   R42        2.59573   0.00009   0.00010  -0.00071  -0.00061   2.59512
   R43        1.91299  -0.00007   0.00002  -0.00004  -0.00002   1.91297
   R44        2.53179  -0.00026   0.00010   0.00003   0.00013   2.53192
   R45        2.03686  -0.00022   0.00012  -0.00012   0.00000   2.03686
   R46        4.07371  -0.00072  -0.00078  -0.00643  -0.00721   4.06650
   R47        2.91754  -0.00023   0.00013  -0.00008   0.00001   2.91755
   R48        2.07264   0.00001  -0.00004  -0.00004   0.00004   2.07268
   R49        2.07245   0.00006  -0.00005  -0.00014  -0.00039   2.07206
   R50        2.07076  -0.00018  -0.00001  -0.00020  -0.00012   2.07064
   R51        2.84662  -0.00107   0.00066  -0.00179  -0.00124   2.84538
   R52        2.07916   0.00002  -0.00009  -0.00007  -0.00016   2.07899
   R53        2.07901   0.00008   0.00005   0.00031   0.00036   2.07937
   R54        2.62366  -0.00084   0.00068  -0.00059   0.00005   2.62371
   R55        2.65406  -0.00012  -0.00018  -0.00020  -0.00040   2.65366
   R56        2.64971  -0.00045   0.00083  -0.00004   0.00070   2.65041
   R57        2.03556   0.00004   0.00003   0.00031   0.00034   2.03590
   R58        2.60065  -0.00009  -0.00031  -0.00008  -0.00041   2.60024
   R59        1.91300  -0.00001  -0.00002   0.00006   0.00003   1.91304
   R60        2.52847  -0.00043  -0.00005  -0.00053  -0.00058   2.52789
   R61        2.03696   0.00003  -0.00006  -0.00002  -0.00008   2.03689
   R62        4.04338   0.00006   0.00026   0.00196   0.00212   4.04549
   R63        3.81374   0.00080   0.00138   0.00929   0.01070   3.82443
   R64        4.24156   0.00052   0.00671   0.01292   0.01976   4.26132
   R65        4.50306  -0.00135  -0.01318  -0.05069  -0.06379   4.43927
   R66        1.85516  -0.00025  -0.00015   0.00024   0.00018   1.85534
   R67        2.10874   0.00086  -0.00453  -0.00585  -0.01030   2.09844
   R68        2.39998  -0.00049  -0.00027  -0.00041  -0.00065   2.39934
   R69        2.57878  -0.00076   0.00039   0.00026   0.00048   2.57926
   R70        2.86531   0.00037   0.00006   0.00147   0.00153   2.86684
   R71        2.77264  -0.00087   0.00051  -0.00028   0.00001   2.77265
   R72        1.91462  -0.00017  -0.00002  -0.00008  -0.00010   1.91452
   R73        2.90486  -0.00037  -0.00056  -0.00103  -0.00168   2.90318
   R74        2.07346   0.00026  -0.00007   0.00036   0.00028   2.07374
   R75        2.06891  -0.00003  -0.00003  -0.00004  -0.00007   2.06885
   R76        2.40866   0.00108  -0.00054   0.00008  -0.00034   2.40832
   R77        2.55251   0.00003   0.00031  -0.00013   0.00018   2.55268
   R78        1.91838  -0.00017   0.00003  -0.00018  -0.00015   1.91823
   R79        2.78977  -0.00114   0.00070  -0.00104  -0.00035   2.78942
   R80        2.07029  -0.00016  -0.00025  -0.00036  -0.00060   2.06969
   R81        2.06273   0.00008   0.00014   0.00033   0.00047   2.06320
   R82        2.07042  -0.00010   0.00003  -0.00009  -0.00005   2.07036
   R83        2.07230  -0.00022  -0.00005  -0.00041  -0.00046   2.07184
   R84        2.06887   0.00000   0.00003   0.00025   0.00028   2.06915
   R85        2.06899  -0.00017   0.00000  -0.00007  -0.00007   2.06893
    A1        1.92450  -0.00017   0.00006  -0.00077  -0.00083   1.92367
    A2        1.93694  -0.00033  -0.00004  -0.00077  -0.00066   1.93628
    A3        1.95215  -0.00007  -0.00025  -0.00037  -0.00048   1.95168
    A4        1.88838   0.00021   0.00018   0.00083   0.00085   1.88923
    A5        1.87378   0.00016   0.00033   0.00079   0.00094   1.87472
    A6        1.88569   0.00022  -0.00026   0.00039   0.00028   1.88596
    A7        1.99167  -0.00016   0.00136  -0.00084  -0.00037   1.99130
    A8        1.91043  -0.00017   0.00032  -0.00012   0.00046   1.91089
    A9        1.90723  -0.00023  -0.00013  -0.00179  -0.00163   1.90560
   A10        1.87879   0.00019  -0.00100   0.00176   0.00099   1.87978
   A11        1.91573   0.00033  -0.00061   0.00031  -0.00005   1.91568
   A12        1.85492   0.00007  -0.00005   0.00087   0.00072   1.85564
   A13        2.30754  -0.00071   0.00056  -0.00153  -0.00078   2.30676
   A14        2.14525   0.00041  -0.00045   0.00126   0.00043   2.14568
   A15        1.83024   0.00031  -0.00014   0.00042   0.00042   1.83066
   A16        1.92022  -0.00032  -0.00008   0.00025  -0.00008   1.92013
   A17        2.23751   0.00017  -0.00058   0.00090   0.00041   2.23791
   A18        2.12513   0.00016   0.00060  -0.00096  -0.00026   2.12486
   A19        1.89468  -0.00003   0.00020  -0.00057  -0.00048   1.89420
   A20        2.18943   0.00036  -0.00043   0.00122   0.00079   2.19022
   A21        2.19907  -0.00033   0.00024  -0.00069  -0.00044   2.19863
   A22        1.92514   0.00019   0.00019   0.00113   0.00130   1.92644
   A23        2.15960  -0.00027   0.00006  -0.00124  -0.00120   2.15840
   A24        2.19837   0.00008  -0.00025   0.00005  -0.00021   2.19815
   A25        1.85444  -0.00014  -0.00015  -0.00104  -0.00114   1.85331
   A26        2.23299  -0.00082   0.00032  -0.00221  -0.00159   2.23140
   A27        2.19556   0.00096   0.00024   0.00321   0.00283   2.19839
   A28        1.93615   0.00014  -0.00081  -0.00153  -0.00243   1.93373
   A29        1.93516  -0.00015   0.00052   0.00051   0.00107   1.93623
   A30        1.93184   0.00033   0.00008   0.00209   0.00218   1.93402
   A31        1.88646   0.00005  -0.00078  -0.00137  -0.00216   1.88430
   A32        1.88672  -0.00020   0.00043   0.00025   0.00063   1.88735
   A33        1.88570  -0.00019   0.00057   0.00000   0.00066   1.88636
   A34        1.96918   0.00031  -0.00140   0.00075  -0.00053   1.96865
   A35        1.91008   0.00027   0.00032   0.00231   0.00250   1.91258
   A36        1.91376  -0.00032   0.00018  -0.00147  -0.00123   1.91253
   A37        1.90198  -0.00030   0.00057  -0.00079  -0.00025   1.90173
   A38        1.89036   0.00003   0.00071   0.00019   0.00087   1.89122
   A39        1.87612   0.00000  -0.00034  -0.00110  -0.00142   1.87469
   A40        1.93411  -0.00047   0.00145   0.00083   0.00271   1.93682
   A41        1.93757   0.00042  -0.00061   0.00026  -0.00053   1.93704
   A42        1.90258   0.00000  -0.00032   0.00042   0.00004   1.90263
   A43        1.90849  -0.00022  -0.00011  -0.00272  -0.00290   1.90559
   A44        1.89120   0.00038  -0.00062   0.00101   0.00020   1.89140
   A45        1.88872  -0.00010   0.00017   0.00023   0.00046   1.88918
   A46        2.11257  -0.00109   0.00229  -0.00163   0.00092   2.11348
   A47        2.03465   0.00069  -0.00165   0.00073  -0.00094   2.03371
   A48        2.13463   0.00042  -0.00059   0.00110   0.00028   2.13491
   A49        1.79572   0.00015   0.00036   0.00101   0.00132   1.79704
   A50        1.85285  -0.00030   0.00046   0.00157   0.00203   1.85488
   A51        1.94063  -0.00022   0.00013  -0.00041  -0.00028   1.94034
   A52        1.92316  -0.00006   0.00008   0.00025   0.00033   1.92349
   A53        1.94002   0.00025  -0.00020   0.00055   0.00033   1.94035
   A54        1.88528   0.00013  -0.00076  -0.00116  -0.00190   1.88338
   A55        1.89099   0.00000   0.00011   0.00065   0.00076   1.89176
   A56        1.88181  -0.00010   0.00064   0.00009   0.00073   1.88255
   A57        1.97349   0.00037  -0.00122   0.00179   0.00058   1.97407
   A58        1.90413  -0.00009   0.00054  -0.00196  -0.00144   1.90269
   A59        1.90644  -0.00021   0.00014   0.00065   0.00080   1.90724
   A60        1.90835  -0.00023   0.00056  -0.00072  -0.00016   1.90819
   A61        1.90872   0.00015  -0.00060   0.00066   0.00005   1.90878
   A62        1.85922  -0.00003   0.00070  -0.00055   0.00014   1.85937
   A63        2.31859   0.00021  -0.00111   0.00082  -0.00027   2.31831
   A64        2.13805  -0.00007   0.00098  -0.00095   0.00003   2.13809
   A65        1.82654  -0.00014   0.00013   0.00012   0.00024   1.82678
   A66        1.91865  -0.00016   0.00019  -0.00058  -0.00039   1.91827
   A67        2.24615   0.00016  -0.00038   0.00068   0.00029   2.24644
   A68        2.11782   0.00000   0.00021  -0.00013   0.00007   2.11789
   A69        1.90059   0.00012  -0.00027  -0.00019  -0.00047   1.90013
   A70        2.18750   0.00005   0.00007   0.00070   0.00077   2.18827
   A71        2.19456  -0.00017   0.00016  -0.00057  -0.00041   2.19415
   A72        1.91767  -0.00004   0.00006   0.00043   0.00049   1.91816
   A73        2.18022   0.00017  -0.00012   0.00052   0.00040   2.18062
   A74        2.18440  -0.00013   0.00002  -0.00096  -0.00095   2.18345
   A75        1.86129   0.00022  -0.00012   0.00021   0.00008   1.86137
   A76        2.19646  -0.00029   0.00017   0.00160   0.00173   2.19819
   A77        2.20227   0.00008  -0.00002  -0.00049  -0.00051   2.20176
   A78        1.94121   0.00003  -0.00008  -0.00019  -0.00032   1.94089
   A79        1.94059   0.00030  -0.00018   0.00118   0.00112   1.94171
   A80        1.92448  -0.00015  -0.00018  -0.00131  -0.00153   1.92295
   A81        1.89154  -0.00017   0.00013  -0.00039  -0.00021   1.89133
   A82        1.87806   0.00005  -0.00002   0.00027   0.00011   1.87816
   A83        1.88587  -0.00007   0.00036   0.00043   0.00086   1.88673
   A84        1.96429  -0.00084   0.00194  -0.00171  -0.00002   1.96427
   A85        1.90662   0.00026   0.00032   0.00061   0.00085   1.90747
   A86        1.90341   0.00049  -0.00160   0.00155   0.00019   1.90360
   A87        1.91149   0.00028  -0.00014   0.00032   0.00025   1.91174
   A88        1.91973  -0.00003  -0.00065  -0.00133  -0.00192   1.91781
   A89        1.85504  -0.00011   0.00003   0.00071   0.00071   1.85575
   A90        2.30028   0.00021   0.00104   0.00083   0.00176   2.30203
   A91        2.15683  -0.00045  -0.00074  -0.00145  -0.00216   2.15467
   A92        1.82600   0.00024  -0.00023   0.00063   0.00044   1.82644
   A93        1.91816  -0.00014  -0.00005  -0.00071  -0.00080   1.91736
   A94        2.24728   0.00014  -0.00004   0.00063   0.00061   2.24789
   A95        2.11774  -0.00001   0.00009   0.00009   0.00020   2.11794
   A96        1.90011  -0.00018   0.00033  -0.00029  -0.00001   1.90010
   A97        2.19209  -0.00001   0.00003   0.00007   0.00008   2.19218
   A98        2.19098   0.00019  -0.00030   0.00021  -0.00010   2.19088
   A99        1.91623  -0.00023   0.00031  -0.00022   0.00007   1.91629
   A100       2.18962   0.00012  -0.00008   0.00002  -0.00006   2.18956
   A101       2.17725   0.00011  -0.00017   0.00016  -0.00001   2.17724
   A102       1.86427   0.00031  -0.00034   0.00060   0.00030   1.86457
   A103       2.22918  -0.00027  -0.00118  -0.00310  -0.00444   2.22473
   A104       2.17603  -0.00002   0.00089   0.00170   0.00261   2.17864
   A105       1.73463  -0.00025  -0.00235  -0.00584  -0.00811   1.72652
   A106       1.50358   0.00022  -0.00095   0.00198   0.00233   1.50591
   A107       1.59273  -0.00014   0.00369   0.01054   0.01458   1.60731
   A108       2.98096   0.00048   0.00285   0.00904   0.01140   2.99236
   A109       1.59762   0.00042   0.00138   0.00635   0.00752   1.60514
   A110       1.70717   0.00028   0.00182   0.01140   0.01311   1.72028
   A111       1.61909   0.00011   0.00060  -0.00123  -0.00065   1.61843
   A112       1.54190  -0.00017  -0.00146  -0.00733  -0.00836   1.53354
   A113       2.94424  -0.00020   0.00037  -0.00227  -0.00220   2.94203
   A114       2.95626  -0.00038  -0.00202  -0.00901  -0.01179   2.94447
   A115       1.53355   0.00005   0.00029  -0.00537  -0.00511   1.52843
   A116       1.49668  -0.00020   0.00114  -0.00488  -0.00373   1.49295
   A117       1.62949  -0.00011  -0.00278  -0.00611  -0.01026   1.61923
   A118       1.46648  -0.00019  -0.00412  -0.00759  -0.01184   1.45465
   A119       1.41449  -0.00002   0.00273   0.00772   0.01013   1.42462
   A120       2.11210   0.00023   0.00111  -0.00312  -0.00260   2.10950
   A121       2.26286   0.00063  -0.00708  -0.01327  -0.02093   2.24193
   A122       1.79154  -0.00072   0.00125   0.00190   0.00271   1.79424
   A123       2.03048   0.00019  -0.00399  -0.00636  -0.01025   2.02023
   A124       2.92921   0.00028   0.00326   0.00351   0.00723   2.93643
   A125       2.12965   0.00024   0.00091   0.00319   0.00409   2.13374
   A126       2.11204  -0.00028   0.00004  -0.00135  -0.00130   2.11074
   A127       2.04143   0.00003  -0.00092  -0.00187  -0.00279   2.03864
   A128       2.37510  -0.00037  -0.00286  -0.01116  -0.01393   2.36117
   A129       2.14790   0.00001   0.00112   0.00367   0.00446   2.15236
   A130       2.06920   0.00001  -0.00059  -0.00207  -0.00260   2.06659
   A131       2.06604  -0.00002  -0.00051  -0.00172  -0.00217   2.06387
   A132       1.97581   0.00013   0.00033   0.00087   0.00115   1.97696
   A133       1.90540  -0.00010  -0.00023  -0.00042  -0.00065   1.90475
   A134       1.89979  -0.00004  -0.00003  -0.00100  -0.00101   1.89878
   A135       1.82615   0.00007  -0.00126  -0.00117  -0.00248   1.82366
   A136       1.95008  -0.00006   0.00069   0.00107   0.00184   1.95192
   A137       1.90424  -0.00001   0.00046   0.00065   0.00111   1.90534
   A138       2.10009  -0.00020   0.00000  -0.00285  -0.00269   2.09739
   A139       2.02825  -0.00087   0.00101   0.00125   0.00216   2.03040
   A140       2.15234   0.00108  -0.00102   0.00213   0.00101   2.15335
   A141       2.01037  -0.00007   0.00732   0.01776   0.02510   2.03547
   A142       2.06352  -0.00001   0.00002   0.00042   0.00040   2.06392
   A143       2.15832   0.00035  -0.00186  -0.00058  -0.00248   2.15584
   A144       2.03709  -0.00034   0.00085   0.00085   0.00166   2.03875
   A145       1.92372  -0.00018  -0.00003  -0.00087  -0.00090   1.92283
   A146       1.88928   0.00023  -0.00075   0.00095   0.00020   1.88947
   A147       1.90216  -0.00022   0.00121  -0.00123  -0.00002   1.90214
   A148       1.90778   0.00026  -0.00024   0.00159   0.00135   1.90912
   A149       1.93674  -0.00029   0.00153  -0.00022   0.00131   1.93805
   A150       1.90343   0.00022  -0.00179  -0.00019  -0.00198   1.90145
   A151       1.90722  -0.00020   0.00067  -0.00049   0.00018   1.90741
   A152       1.90303   0.00012  -0.00028   0.00027  -0.00001   1.90302
   A153       1.97486   0.00011  -0.00018   0.00070   0.00052   1.97538
   A154       1.87696  -0.00002   0.00004  -0.00010  -0.00006   1.87690
   A155       1.89435   0.00001   0.00005  -0.00007  -0.00002   1.89433
   A156       1.90495  -0.00003  -0.00029  -0.00035  -0.00064   1.90431
    D1        3.11601  -0.00007   0.00092   0.00294   0.00386   3.11988
    D2        1.00956  -0.00008   0.00105   0.00133   0.00250   1.01205
    D3       -1.01519   0.00006   0.00100   0.00138   0.00229  -1.01290
    D4        1.02383  -0.00002   0.00068   0.00290   0.00376   1.02759
    D5       -1.08263  -0.00003   0.00081   0.00130   0.00239  -1.08023
    D6       -3.10737   0.00012   0.00076   0.00134   0.00219  -3.10518
    D7       -1.08346  -0.00003   0.00121   0.00319   0.00419  -1.07927
    D8        3.09328  -0.00004   0.00134   0.00158   0.00282   3.09610
    D9        1.06853   0.00011   0.00130   0.00162   0.00262   1.07115
   D10       -2.11757   0.00013  -0.00639  -0.00560  -0.01192  -2.12949
   D11        1.04613  -0.00012  -0.00120  -0.01631  -0.01756   1.02857
   D12        0.00642  -0.00005  -0.00581  -0.00503  -0.01085  -0.00443
   D13       -3.11306  -0.00031  -0.00062  -0.01574  -0.01649  -3.12955
   D14        2.01825   0.00031  -0.00674  -0.00288  -0.00948   2.00876
   D15       -1.10124   0.00005  -0.00155  -0.01359  -0.01513  -1.11636
   D16       -3.13160   0.00040  -0.00149  -0.00037  -0.00208  -3.13369
   D17        0.03785  -0.00019   0.00314  -0.00788  -0.00475   0.03311
   D18       -0.00921   0.00063  -0.00600   0.00894   0.00282  -0.00639
   D19       -3.12294   0.00004  -0.00137   0.00144   0.00015  -3.12279
   D20        3.12823  -0.00005   0.00019   0.00868   0.00907   3.13730
   D21       -0.01796  -0.00011  -0.00250  -0.00049  -0.00288  -0.02084
   D22        0.00358  -0.00024   0.00417   0.00050   0.00475   0.00833
   D23        3.14057  -0.00030   0.00148  -0.00867  -0.00719   3.13338
   D24        0.01151  -0.00080   0.00562  -0.01520  -0.00944   0.00206
   D25       -3.10955  -0.00070  -0.00329  -0.01312  -0.01608  -3.12564
   D26        3.12735  -0.00025   0.00133  -0.00824  -0.00697   3.12038
   D27        0.00629  -0.00015  -0.00759  -0.00616  -0.01361  -0.00732
   D28        0.00357  -0.00026  -0.00081  -0.01024  -0.01107  -0.00750
   D29       -3.12506  -0.00016   0.00094  -0.00513  -0.00424  -3.12931
   D30       -3.13339  -0.00020   0.00188  -0.00102   0.00094  -3.13245
   D31        0.02116  -0.00010   0.00364   0.00410   0.00777   0.02893
   D32       -0.00910   0.00063  -0.00288   0.01541   0.01246   0.00336
   D33        3.11253   0.00051   0.00561   0.01330   0.01887   3.13140
   D34        3.11918   0.00053  -0.00468   0.01014   0.00543   3.12462
   D35       -0.04237   0.00041   0.00381   0.00804   0.01184  -0.03053
   D36        1.90684  -0.00013   0.00108   0.00402   0.00500   1.91184
   D37       -2.67823   0.00020   0.00289   0.01617   0.01901  -2.65921
   D38        0.28346  -0.00021  -0.00011   0.00369   0.00359   0.28705
   D39       -1.81349  -0.00019  -0.01477  -0.06021  -0.07532  -1.88881
   D40       -1.18356  -0.00002   0.00391   0.01090   0.01484  -1.16872
   D41       -1.21045   0.00001  -0.00933   0.00654  -0.00282  -1.21327
   D42        0.48767   0.00034  -0.00753   0.01869   0.01119   0.49886
   D43       -2.83383  -0.00007  -0.01053   0.00621  -0.00423  -2.83806
   D44        1.35241  -0.00006  -0.02519  -0.05768  -0.08314   1.26927
   D45        1.98234   0.00011  -0.00651   0.01342   0.00702   1.98936
   D46        1.06808  -0.00001   0.00011   0.00421   0.00439   1.07247
   D47       -3.09435   0.00000   0.00013   0.00535   0.00549  -3.08885
   D48       -1.04047  -0.00003   0.00001   0.00451   0.00451  -1.03596
   D49       -1.02821  -0.00007   0.00128   0.00661   0.00800  -1.02021
   D50        1.09256  -0.00006   0.00130   0.00774   0.00910   1.10165
   D51       -3.13675  -0.00009   0.00118   0.00691   0.00812  -3.12864
   D52       -3.12069   0.00005   0.00017   0.00490   0.00503  -3.11566
   D53       -0.99992   0.00006   0.00019   0.00604   0.00612  -0.99380
   D54        1.05395   0.00004   0.00007   0.00520   0.00514   1.05909
   D55       -1.07614   0.00039  -0.00213   0.00833   0.00602  -1.07012
   D56        1.04827   0.00008  -0.00169   0.00562   0.00383   1.05209
   D57        3.12718   0.00022  -0.00205   0.00632   0.00410   3.13128
   D58        3.08170   0.00006  -0.00201   0.00544   0.00337   3.08507
   D59       -1.07708  -0.00025  -0.00157   0.00273   0.00118  -1.07590
   D60        1.00183  -0.00012  -0.00194   0.00344   0.00145   1.00328
   D61        1.04570   0.00021  -0.00231   0.00708   0.00473   1.05043
   D62       -3.11308  -0.00011  -0.00187   0.00437   0.00253  -3.11055
   D63       -1.03416   0.00003  -0.00223   0.00508   0.00280  -1.03136
   D64       -0.93354  -0.00004  -0.00090  -0.00382  -0.00484  -0.93838
   D65        2.15372   0.00018   0.00036   0.00034   0.00067   2.15438
   D66       -3.07491  -0.00010  -0.00101  -0.00285  -0.00400  -3.07891
   D67        0.01235   0.00011   0.00025   0.00131   0.00151   0.01385
   D68        1.15317  -0.00008  -0.00081  -0.00218  -0.00304   1.15012
   D69       -2.04276   0.00014   0.00045   0.00198   0.00247  -2.04029
   D70        2.88599   0.00026   0.00550   0.02026   0.02594   2.91193
   D71       -0.19811   0.00003   0.00420   0.01588   0.02015  -0.17797
   D72       -2.90947  -0.00019  -0.00465  -0.01899  -0.02373  -2.93320
   D73        0.17705  -0.00002  -0.00326  -0.01487  -0.01813   0.15892
   D74        0.08170  -0.00017  -0.00343  -0.01077  -0.01424   0.06746
   D75        0.27193   0.00002   0.00268   0.00917   0.01194   0.28387
   D76       -1.05542   0.00014  -0.00232   0.00338   0.00108  -1.05435
   D77        1.07213   0.00004  -0.00203   0.00225   0.00023   1.07236
   D78        3.09807  -0.00016  -0.00082   0.00086   0.00004   3.09811
   D79        3.13795   0.00015  -0.00151   0.00493   0.00342   3.14137
   D80       -1.01768   0.00005  -0.00123   0.00380   0.00257  -1.01511
   D81        1.00826  -0.00015  -0.00001   0.00241   0.00238   1.01065
   D82        1.05287   0.00016  -0.00223   0.00430   0.00208   1.05495
   D83       -3.10276   0.00006  -0.00194   0.00317   0.00123  -3.10153
   D84       -1.07683  -0.00013  -0.00073   0.00178   0.00104  -1.07578
   D85       -0.13496   0.00002   0.02148   0.05329   0.07476  -0.06021
   D86        3.00240  -0.00001   0.02205   0.05126   0.07328   3.07568
   D87       -2.26015   0.00005   0.02121   0.05512   0.07632  -2.18382
   D88        0.87722   0.00001   0.02178   0.05308   0.07484   0.95206
   D89        1.99345   0.00012   0.02039   0.05581   0.07621   2.06966
   D90       -1.15237   0.00009   0.02096   0.05378   0.07473  -1.07764
   D91        3.13730  -0.00021   0.00065  -0.00760  -0.00698   3.13031
   D92        0.03197  -0.00012   0.00021  -0.00655  -0.00634   0.02562
   D93       -0.00061  -0.00018   0.00015  -0.00582  -0.00569  -0.00630
   D94       -3.10594  -0.00009  -0.00029  -0.00478  -0.00506  -3.11100
   D95       -3.13314   0.00008   0.00063   0.00612   0.00677  -3.12638
   D96       -0.02516   0.00012  -0.00076   0.00439   0.00363  -0.02153
   D97        0.00524   0.00005   0.00105   0.00458   0.00564   0.01089
   D98        3.11322   0.00009  -0.00034   0.00285   0.00251   3.11574
   D99       -0.00430   0.00024  -0.00130   0.00498   0.00369  -0.00061
   D100      -2.92695   0.00015  -0.00129  -0.00106  -0.00233  -2.92928
   D101       3.10415   0.00017  -0.00092   0.00404   0.00311   3.10727
   D102       0.18150   0.00008  -0.00091  -0.00199  -0.00290   0.17860
   D103      -0.00826   0.00010  -0.00193  -0.00167  -0.00361  -0.01187
   D104       3.08989   0.00007  -0.00285  -0.00218  -0.00504   3.08484
   D105      -3.11607   0.00005  -0.00054   0.00004  -0.00049  -3.11656
   D106      -0.01793   0.00003  -0.00145  -0.00047  -0.00192  -0.01985
   D107       0.00764  -0.00021   0.00196  -0.00196   0.00000   0.00764
   D108       2.92935  -0.00018   0.00198   0.00444   0.00640   2.93574
   D109      -3.09038  -0.00019   0.00289  -0.00149   0.00140  -3.08898
   D110      -0.16867  -0.00016   0.00290   0.00491   0.00779  -0.16088
   D111      -0.52596   0.00029  -0.00825   0.00026  -0.00751  -0.53347
   D112      -2.05071   0.00005  -0.00729  -0.00282  -0.01081  -2.06152
   D113       1.07508   0.00015  -0.00450   0.01044   0.00674   1.08182
   D114       2.70327   0.00004  -0.00734   0.00402  -0.00391   2.69936
   D115       2.35169   0.00002  -0.02312  -0.03293  -0.05614   2.29555
   D116       2.87640   0.00018  -0.00822  -0.00709  -0.01483   2.86157
   D117       1.35165  -0.00006  -0.00726  -0.01017  -0.01813   1.33352
   D118      -1.80575   0.00004  -0.00447   0.00309  -0.00058  -1.80633
   D119      -0.17757  -0.00007  -0.00732  -0.00334  -0.01122  -0.18879
   D120      -0.52914  -0.00009  -0.02309  -0.04029  -0.06345  -0.59260
   D121      -1.05949   0.00007   0.00111  -0.00120  -0.00028  -1.05977
   D122       3.09654   0.00009  -0.00022  -0.00090  -0.00118   3.09536
   D123       1.07590  -0.00019   0.00045  -0.00295  -0.00260   1.07329
   D124       1.05029   0.00007   0.00109  -0.00101   0.00000   1.05029
   D125      -1.07687   0.00010  -0.00024  -0.00071  -0.00090  -1.07777
   D126      -3.09752  -0.00018   0.00044  -0.00276  -0.00232  -3.09984
   D127      -3.14150   0.00008   0.00130  -0.00057   0.00079  -3.14071
   D128       1.01452   0.00011  -0.00003  -0.00026  -0.00011   1.01441
   D129      -1.00612  -0.00018   0.00065  -0.00231  -0.00153  -1.00765
   D130       0.23672   0.00006   0.00902   0.01537   0.02459   0.26131
   D131      -2.88900  -0.00007   0.00530   0.01488   0.02047  -2.86853
   D132       2.36112   0.00002   0.01062   0.01523   0.02584   2.38695
   D133      -0.76460  -0.00011   0.00689   0.01474   0.02171  -0.74289
   D134      -1.88943   0.00004   0.01019   0.01550   0.02573  -1.86370
   D135       1.26803  -0.00010   0.00647   0.01502   0.02161   1.28964
   D136      -3.12593  -0.00002  -0.00503  -0.00257  -0.00736  -3.13329
   D137       0.01895  -0.00013  -0.00497  -0.00655  -0.01149   0.00746
   D138       0.00199   0.00009  -0.00184  -0.00217  -0.00382  -0.00182
   D139      -3.13631  -0.00002  -0.00179  -0.00614  -0.00796   3.13892
   D140       3.12698   0.00007   0.00455   0.00502   0.00932   3.13630
   D141      -0.01546   0.00018  -0.00023   0.00197   0.00164  -0.01382
   D142      -0.00238  -0.00004   0.00166   0.00463   0.00613   0.00375
   D143       3.13836   0.00008  -0.00313   0.00158  -0.00155   3.13681
   D144      -0.00088  -0.00011   0.00136  -0.00113   0.00008  -0.00079
   D145       2.96835   0.00006  -0.00268  -0.00586  -0.00878   2.95957
   D146       3.13771  -0.00001   0.00131   0.00250   0.00386   3.14157
   D147      -0.17624   0.00016  -0.00273  -0.00223  -0.00501  -0.18125
   D148       0.00196  -0.00003  -0.00088  -0.00560  -0.00641  -0.00445
   D149      -3.12606   0.00016  -0.00407  -0.00190  -0.00583  -3.13189
   D150      -3.13878  -0.00015   0.00391  -0.00255   0.00126  -3.13752
   D151       0.01639   0.00005   0.00071   0.00115   0.00184   0.01823
   D152      -0.00067   0.00008  -0.00028   0.00411   0.00387   0.00320
   D153      -2.97654  -0.00005   0.00385   0.00925   0.01331  -2.96323
   D154       3.12746  -0.00011   0.00289   0.00044   0.00330   3.13076
   D155       0.15159  -0.00024   0.00701   0.00558   0.01274   0.16434
   D156      -1.48121   0.00019  -0.00205   0.00006  -0.00214  -1.48335
   D157       0.24598  -0.00004  -0.00463  -0.00612  -0.01061   0.23537
   D158      -2.80986  -0.00076  -0.02321  -0.08239  -0.10527  -2.91513
   D159       1.78247  -0.00022  -0.00612  -0.01475  -0.02041   1.76206
   D160      -3.08397  -0.00023  -0.00344  -0.00651  -0.00977  -3.09374
   D161       1.45939   0.00041  -0.00691  -0.00568  -0.01289   1.44650
   D162      -3.09660   0.00018  -0.00949  -0.01186  -0.02136  -3.11796
   D163       0.13074  -0.00054  -0.02808  -0.08814  -0.11602   0.01472
   D164      -1.56011   0.00000  -0.01099  -0.02049  -0.03116  -1.59127
   D165      -0.14337  -0.00001  -0.00830  -0.01225  -0.02052  -0.16389
   D166       1.92135  -0.00038  -0.00121  -0.01013  -0.01099   1.91036
   D167      -0.62873  -0.00046   0.01075   0.02296   0.03387  -0.59486
   D168       0.18541  -0.00013   0.00096  -0.00480  -0.00362   0.18179
   D169      -2.36466  -0.00021   0.01293   0.02829   0.04124  -2.32342
   D170      -3.04123   0.00059   0.01944   0.07099   0.09025  -2.95098
   D171       0.69187   0.00051   0.03140   0.10408   0.13511   0.82699
   D172      -1.35924   0.00004   0.00250   0.00292   0.00527  -1.35397
   D173       2.37387  -0.00004   0.01446   0.03600   0.05013   2.42400
   D174      -2.76636   0.00005  -0.00020  -0.00499  -0.00533  -2.77169
   D175       0.96675  -0.00002   0.01176   0.02810   0.03953   1.00627
   D176       0.50205   0.00023   0.01343   0.06444   0.07799   0.58004
   D177       3.07337   0.00014  -0.00238   0.00064  -0.00197   3.07139
   D178       1.36496  -0.00014  -0.00425  -0.01126  -0.01568   1.34928
   D179      -1.59233   0.00024  -0.00180  -0.00085  -0.00275  -1.59508
   D180      -0.13664   0.00007  -0.00529  -0.00695  -0.01237  -0.14901
   D181       2.00713  -0.00019   0.00651   0.01028   0.01602   2.02315
   D182      -0.87404   0.00009   0.02125   0.04332   0.06445  -0.80959
   D183      -2.77468  -0.00001   0.00548   0.01163   0.01763  -2.75705
   D184       0.41708   0.00000   0.00302   0.00053   0.00250   0.41958
   D185      -1.22999   0.00007   0.00539   0.00640   0.01228  -1.21771
   D186      -2.62382  -0.00039   0.01240   0.03192   0.04490  -2.57891
   D187       0.06217   0.00000   0.00095   0.00219   0.00298   0.06515
   D188       2.24073   0.00021  -0.01214  -0.03319  -0.04525   2.19548
   D189      -0.38902  -0.00002  -0.00240  -0.00423  -0.00658  -0.39560
   D190       0.87146   0.00018  -0.00180  -0.00560  -0.00749   0.86397
   D191      -2.28220  -0.00011   0.00028  -0.00790  -0.00764  -2.28984
   D192       0.06362  -0.00003   0.00631   0.00976   0.01613   0.07975
   D193      -3.08889  -0.00012   0.00005  -0.00258  -0.00243  -3.09132
   D194      -3.06637   0.00025   0.00429   0.01197   0.01628  -3.05010
   D195       0.06431   0.00016  -0.00197  -0.00036  -0.00229   0.06202
   D196      -1.12670   0.00014  -0.00054   0.00241   0.00184  -1.12486
   D197       0.92033   0.00008  -0.00027   0.00216   0.00186   0.92219
   D198       3.04368   0.00020  -0.00097   0.00238   0.00139   3.04507
   D199       2.00341  -0.00013   0.00147   0.00025   0.00174   2.00515
   D200      -2.23274  -0.00020   0.00173   0.00000   0.00176  -2.23098
   D201      -0.10939  -0.00007   0.00104   0.00022   0.00129  -0.10811
   D202      -1.39720  -0.00012  -0.00294  -0.00168  -0.00448  -1.40168
   D203       0.62921  -0.00002  -0.00446  -0.00288  -0.00730   0.62191
   D204       2.70620  -0.00011  -0.00406  -0.00293  -0.00693   2.69927
   D205       1.75529  -0.00003   0.00331   0.01064   0.01406   1.76935
   D206      -2.50149   0.00007   0.00179   0.00944   0.01124  -2.49025
   D207      -0.42450  -0.00002   0.00219   0.00939   0.01161  -0.41289
   D208       0.65677  -0.00013   0.00158   0.00185   0.00342   0.66019
   D209      -2.55850  -0.00001   0.00128   0.00961   0.01079  -2.54770
   D210      -1.41604  -0.00012   0.00248   0.00263   0.00516  -1.41088
   D211       1.65187   0.00000   0.00218   0.01039   0.01254   1.66441
   D212       2.80910  -0.00013   0.00233   0.00200   0.00438   2.81348
   D213      -0.40617  -0.00001   0.00203   0.00976   0.01176  -0.39441
   D214       1.01439   0.00032  -0.00278  -0.00226  -0.00533   1.00907
   D215      -2.04808   0.00028  -0.00254  -0.01053  -0.01327  -2.06136
   D216      -0.03071   0.00022  -0.00300   0.00498   0.00201  -0.02870
   D217      -2.92934   0.00026   0.00235   0.00145   0.00382  -2.92552
   D218       3.03478   0.00028  -0.00327   0.01276   0.00947   3.04425
   D219       0.13615   0.00031   0.00209   0.00923   0.01129   0.14743
   D220      -2.25637  -0.00045  -0.00428  -0.01371  -0.01799  -2.27436
   D221      -0.17066  -0.00010  -0.00504  -0.01171  -0.01676  -0.18742
   D222       1.89742   0.00017  -0.00693  -0.01209  -0.01903   1.87839
   D223       1.12480  -0.00046   0.00109  -0.01714  -0.01605   1.10875
   D224      -3.07267  -0.00011   0.00032  -0.01514  -0.01482  -3.08749
   D225      -1.00459   0.00016  -0.00157  -0.01553  -0.01709  -1.02168
         Item               Value     Threshold  Converged?
 Maximum Force            0.002083     0.000450     NO 
 RMS     Force            0.000350     0.000300     NO 
 Maximum Displacement     0.231871     0.001800     NO 
 RMS     Displacement     0.032787     0.001200     NO 
 Predicted change in Energy=-2.687194D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.925383    2.749297    3.506184
      2          6           0       -3.256829    1.351472    3.614282
      3          6           0       -2.003625    1.204706    2.793864
      4          6           0       -1.649208    0.321044    1.785173
      5          7           0       -0.877521    2.027281    2.965362
      6          6           0        0.091263    1.633539    2.072600
      7          7           0       -0.342144    0.596718    1.340242
      8          6           0       -5.143420    1.095889    0.120092
      9          6           0       -5.885476    0.030697   -0.717445
     10          6           0       -5.322718   -1.397895   -0.506756
     11          6           0       -3.859497   -1.476343   -0.930856
     12          8           0       -3.490511   -1.104670   -2.090946
     13          8           0       -2.989532   -1.898330   -0.003360
     14          6           0       -2.059261    4.271565   -3.062272
     15          6           0       -0.776646    3.861603   -3.814918
     16          6           0       -0.013906    2.760713   -3.126615
     17          6           0       -0.202760    2.090236   -1.928369
     18          7           0        1.142720    2.181974   -3.680162
     19          6           0        1.596463    1.199997   -2.834150
     20          7           0        0.803362    1.123702   -1.756965
     21          6           0        4.880390    3.854703    1.417102
     22          6           0        5.192416    2.502014    2.092745
     23          6           0        4.204961    1.428571    1.718818
     24          6           0        3.259740    1.350765    0.704825
     25          7           0        4.070158    0.221329    2.423330
     26          6           0        3.081879   -0.531271    1.831514
     27          7           0        2.571431    0.131553    0.787698
     28         30           0        0.810236   -0.445095   -0.284040
     29          1           0       -4.841058    2.779070    4.108839
     30          1           0       -4.190872    2.977579    2.466572
     31          1           0       -3.263641    3.548799    3.872765
     32          1           0       -3.964411    0.580716    3.283472
     33          1           0       -3.036575    1.135990    4.673383
     34          1           0       -2.245082   -0.464371    1.345412
     35          1           0       -0.802513    2.790201    3.625503
     36          1           0        1.062214    2.095111    2.002807
     37          1           0       -4.083904    1.144919   -0.162230
     38          1           0       -5.197983    0.860388    1.192743
     39          1           0       -5.584332    2.089473   -0.033445
     40          1           0       -6.953378    0.035823   -0.457340
     41          1           0       -5.805913    0.279737   -1.782709
     42          1           0       -5.410537   -1.703569    0.541920
     43          1           0       -5.899445   -2.103939   -1.120315
     44          1           0       -2.751834    3.426500   -2.970508
     45          1           0       -2.575299    5.072968   -3.602506
     46          1           0       -1.827103    4.639968   -2.054773
     47          1           0       -1.045510    3.537881   -4.831598
     48          1           0       -0.124828    4.741597   -3.928398
     49          1           0       -0.992752    2.210454   -1.206720
     50          1           0        1.551211    2.427789   -4.573166
     51          1           0        2.438946    0.556948   -3.030347
     52          1           0        4.914555    3.769465    0.324138
     53          1           0        3.888199    4.222794    1.704069
     54          1           0        5.621116    4.605424    1.714392
     55          1           0        5.196571    2.633715    3.184982
     56          1           0        6.209761    2.187760    1.815196
     57          1           0        3.031413    2.072318   -0.061933
     58          1           0        4.616090   -0.054380    3.230032
     59          1           0        2.753478   -1.503168    2.162248
     60          8           0       -0.868342   -1.289966   -1.035270
     61          1           0       -1.236667   -0.998198   -1.897330
     62          1           0       -1.769233   -1.640270   -0.488669
     63          6           0        2.760671   -2.732136   -1.599885
     64          8           0        2.151186   -1.620197   -1.664612
     65          7           0        2.138173   -3.882358   -1.209498
     66          6           0        0.701162   -3.964470   -0.924903
     67          6           0        0.328889   -3.448512    0.473454
     68          8           0        0.925435   -2.433554    0.961476
     69          7           0       -0.695858   -4.076074    1.090526
     70          1           0        0.159653   -3.304332   -1.614263
     71          1           0        0.369319   -4.996165   -1.079969
     72          1           0        2.690685   -4.728378   -1.136062
     73          1           0       -1.170823   -4.823164    0.593877
     74          6           0       -1.357557   -3.557264    2.303728
     75          1           0       -1.424523   -4.343742    3.063005
     76          1           0       -0.760764   -2.729239    2.691333
     77          1           0       -2.351982   -3.183905    2.035330
     78          6           0        4.227014   -2.840677   -1.973448
     79          1           0        4.347098   -2.612313   -3.039026
     80          1           0        4.795378   -2.093572   -1.409795
     81          1           0        4.648672   -3.832426   -1.780347
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0956064      0.0727999      0.0662356
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4908.1917181156 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33681 LenP2D=  122054.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.44D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999982    0.001190    0.000332   -0.005843 Ang=   0.68 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97464849     A.U. after   11 cycles
            NFock= 11  Conv=0.36D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33681 LenP2D=  122054.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000037996    0.000841145    0.000624429
      3        6          -0.000986585   -0.000069676    0.000881844
      4        6           0.000570676   -0.000868240   -0.000563462
      5        7           0.000505916   -0.000119387   -0.000977914
      6        6          -0.000482021    0.000576533    0.001324863
      7        7           0.000686243   -0.001287297    0.000194920
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000219497   -0.000032322    0.000482324
     10        6           0.000637152    0.000154308   -0.000715648
     11        6          -0.001644974   -0.000054770    0.001291753
     12        8           0.000357063   -0.000128924   -0.000042941
     13        8           0.000792061    0.000798501   -0.000720900
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000234541   -0.000135266   -0.000013356
     16        6          -0.000766569   -0.000783822   -0.000085255
     17        6          -0.000403126    0.000617336    0.000238298
     18        7           0.001147284    0.000500086   -0.000105453
     19        6          -0.000463609    0.000191022    0.000001149
     20        7          -0.000124061    0.000239289   -0.000665169
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000187729    0.000135566    0.000059078
     23        6           0.001446089   -0.000656084    0.000114630
     24        6          -0.001044821    0.000419390   -0.000083508
     25        7          -0.001183319    0.000039793   -0.000807059
     26        6           0.000227655    0.000144025   -0.000566596
     27        7          -0.001725701    0.000083857   -0.000793252
     28       30           0.003591690    0.000637889    0.004918174
     29        1          -0.000186277   -0.000075176   -0.000153530
     30        1          -0.000355880    0.000405500    0.000690273
     31        1           0.000426977    0.000959202   -0.000501042
     32        1          -0.000380022   -0.001145127    0.000642613
     33        1           0.000771728   -0.000476492   -0.001160301
     34        1           0.000229369    0.000499118   -0.000349848
     35        1          -0.000196556   -0.000161932   -0.000205286
     36        1           0.000350230   -0.000359398   -0.000203600
     37        1           0.000168239   -0.000180708    0.000072625
     38        1           0.000482738   -0.000096894   -0.000353130
     39        1           0.000161104   -0.000257447    0.000182115
     40        1          -0.000000407    0.000189033   -0.000040034
     41        1          -0.000011155   -0.000129760   -0.000083437
     42        1          -0.000114964    0.000104188   -0.000127826
     43        1           0.000078050    0.000088893    0.000047605
     44        1          -0.000170738    0.000008342   -0.000006561
     45        1          -0.000101347   -0.000077705    0.000007145
     46        1           0.000183780    0.000041624   -0.000197459
     47        1          -0.000116635   -0.000002843   -0.000010611
     48        1           0.000268731    0.000004589   -0.000210126
     49        1           0.000000718   -0.000029347    0.000283653
     50        1          -0.000041595    0.000032656    0.000073407
     51        1           0.000071345   -0.000198357    0.000389847
     52        1           0.000083585   -0.000033518    0.000010410
     53        1           0.000164336   -0.000106044    0.000008303
     54        1           0.000158761    0.000034782   -0.000048082
     55        1          -0.000022729   -0.000023586    0.000021369
     56        1           0.000007323    0.000225030    0.000029492
     57        1           0.000000143    0.000084600    0.000000581
     58        1           0.000131581   -0.000157822    0.000127486
     59        1           0.000356806   -0.000052291    0.000356521
     60        8          -0.002151549   -0.000323436   -0.002613329
     61        1           0.000488817    0.000711998    0.000395344
     62        1           0.000828376    0.000176278    0.000148101
     63        6           0.000260825    0.000512598    0.000779649
     64        8          -0.000900921   -0.000323882   -0.000779337
     65        7           0.000535026   -0.000076066   -0.000408400
     66        6          -0.000327206   -0.000607172    0.000119624
     67        6          -0.000061946    0.001101017   -0.000350824
     68        8          -0.000378361   -0.001482253    0.000236494
     69        7           0.000575744   -0.000721753    0.000065445
     70        1           0.000127523    0.000027279   -0.000224781
     71        1           0.000079936    0.000030470    0.000054690
     72        1           0.000086333   -0.000069771    0.000086776
     73        1          -0.000370926    0.000260934    0.000328760
     74        6          -0.000493897   -0.000689880   -0.000437672
     75        1           0.000515469    0.000294978   -0.000265779
     76        1          -0.000109254    0.000211285    0.000005310
     77        1           0.000029327    0.000350173    0.000064173
     78        6          -0.000372539   -0.000090786    0.000067811
     79        1           0.000161547    0.000069376    0.000063792
     80        1          -0.000001130   -0.000016856   -0.000122954
     81        1           0.000085723   -0.000103281   -0.000064955
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004918174 RMS     0.000645402

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001520714 RMS     0.000310435
 Search for a local minimum.
 Step number  26 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   25   26
 DE= -3.42D-04 DEPred=-2.69D-04 R= 1.27D+00
 TightC=F SS=  1.41D+00  RLast= 3.94D-01 DXNew= 5.0454D+00 1.1811D+00
 Trust test= 1.27D+00 RLast= 3.94D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  0  1  0
     Eigenvalues ---    0.00101   0.00146   0.00230   0.00230   0.00232
     Eigenvalues ---    0.00238   0.00271   0.00376   0.00516   0.00528
     Eigenvalues ---    0.00559   0.00625   0.00641   0.00703   0.00745
     Eigenvalues ---    0.00757   0.00780   0.00843   0.00954   0.01021
     Eigenvalues ---    0.01147   0.01236   0.01294   0.01377   0.01433
     Eigenvalues ---    0.01462   0.01628   0.01684   0.01727   0.01749
     Eigenvalues ---    0.01825   0.01867   0.01870   0.01906   0.01941
     Eigenvalues ---    0.02004   0.02033   0.02049   0.02113   0.02229
     Eigenvalues ---    0.02249   0.02288   0.02353   0.02489   0.02530
     Eigenvalues ---    0.02871   0.03213   0.03460   0.03778   0.03888
     Eigenvalues ---    0.04024   0.04136   0.04266   0.04406   0.04482
     Eigenvalues ---    0.04791   0.04804   0.05046   0.05292   0.05355
     Eigenvalues ---    0.05379   0.05389   0.05413   0.05432   0.05479
     Eigenvalues ---    0.05489   0.05516   0.05525   0.05532   0.05590
     Eigenvalues ---    0.05909   0.06008   0.06901   0.06969   0.07290
     Eigenvalues ---    0.07468   0.07519   0.07724   0.07761   0.08282
     Eigenvalues ---    0.08445   0.09151   0.09365   0.09457   0.09619
     Eigenvalues ---    0.09746   0.09964   0.10319   0.10449   0.10997
     Eigenvalues ---    0.11641   0.12236   0.12583   0.12869   0.12976
     Eigenvalues ---    0.13070   0.13413   0.14430   0.14835   0.15506
     Eigenvalues ---    0.15699   0.15788   0.15909   0.15954   0.15979
     Eigenvalues ---    0.15984   0.15990   0.15991   0.15996   0.15997
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16003   0.16005   0.16009   0.16011   0.16015
     Eigenvalues ---    0.16027   0.16044   0.16052   0.16064   0.16092
     Eigenvalues ---    0.16137   0.16235   0.16284   0.16302   0.16730
     Eigenvalues ---    0.17958   0.18397   0.20632   0.20855   0.21251
     Eigenvalues ---    0.21838   0.22126   0.22373   0.22476   0.22680
     Eigenvalues ---    0.22788   0.22999   0.23147   0.23583   0.23753
     Eigenvalues ---    0.24030   0.24303   0.24514   0.24936   0.25044
     Eigenvalues ---    0.25245   0.25553   0.26953   0.27272   0.27702
     Eigenvalues ---    0.28150   0.28236   0.28366   0.29190   0.30318
     Eigenvalues ---    0.30689   0.30846   0.31509   0.31602   0.31919
     Eigenvalues ---    0.33512   0.33615   0.33624   0.33657   0.33663
     Eigenvalues ---    0.33773   0.33808   0.33855   0.33885   0.33910
     Eigenvalues ---    0.33929   0.33942   0.33985   0.33990   0.34001
     Eigenvalues ---    0.34032   0.34050   0.34071   0.34087   0.34097
     Eigenvalues ---    0.34131   0.34173   0.34178   0.34191   0.34199
     Eigenvalues ---    0.34264   0.34301   0.34386   0.34635   0.35335
     Eigenvalues ---    0.35518   0.35762   0.36151   0.36228   0.36341
     Eigenvalues ---    0.36467   0.36521   0.37137   0.39161   0.39325
     Eigenvalues ---    0.39739   0.42332   0.42594   0.42781   0.43884
     Eigenvalues ---    0.45282   0.45398   0.45439   0.45503   0.45583
     Eigenvalues ---    0.45600   0.45642   0.46343   0.48842   0.49218
     Eigenvalues ---    0.49488   0.49858   0.49911   0.52274   0.54549
     Eigenvalues ---    0.54886   0.55030   0.57070   0.66660   0.73099
     Eigenvalues ---    0.762171000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    26   25   24   23   22
 RFO step:  Lambda=-1.21438136D-04.
 DidBck=F Rises=F RFO-DIIS coefs:    1.61394   -0.39780   -0.47403    0.05270    0.20519
 Iteration  1 RMS(Cart)=  0.03373042 RMS(Int)=  0.00154516
 Iteration  2 RMS(Cart)=  0.00361910 RMS(Int)=  0.00041945
 Iteration  3 RMS(Cart)=  0.00001337 RMS(Int)=  0.00041943
 Iteration  4 RMS(Cart)=  0.00000006 RMS(Int)=  0.00041943
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48447   0.00084   0.00006   0.00000   0.00000   8.48447
    Y1       -0.92761   0.00017  -0.00001   0.00000   0.00000  -0.92761
    Z1        7.47499   0.00047   0.00004   0.00000   0.00000   7.47499
    X8       10.19808   0.00088  -0.00004   0.00000   0.00000  10.19808
    Y8        1.20620  -0.00016   0.00004   0.00000   0.00000   1.20620
    Z8        0.50969   0.00013  -0.00003   0.00000   0.00000   0.50969
   X14        7.21038  -0.00043   0.00001   0.00000   0.00000   7.21038
   Y14       -7.64139   0.00005  -0.00003   0.00000   0.00000  -7.64139
   Z14       -3.84249  -0.00027   0.00002   0.00000   0.00000  -3.84249
   X21       -6.13876   0.00025  -0.00003   0.00000   0.00000  -6.13876
   Y21       -9.38867  -0.00046   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00010  -0.00002   0.00000   0.00000   4.09468
    R1        2.93520  -0.00152  -0.00416  -0.00323  -0.00808   2.92712
    R2        2.07228  -0.00025  -0.00046  -0.00010   0.00017   2.07245
    R3        2.07301  -0.00087  -0.00356  -0.00118  -0.00486   2.06815
    R4        2.07998  -0.00116  -0.00357  -0.00102  -0.00478   2.07520
    R5        2.84411  -0.00048  -0.00156   0.00016  -0.00206   2.84205
    R6        2.07369  -0.00135  -0.00432  -0.00084  -0.00516   2.06853
    R7        2.08440  -0.00144  -0.00442  -0.00194  -0.00636   2.07803
    R8        2.62116  -0.00030  -0.00068  -0.00034  -0.00111   2.62004
    R9        2.65515  -0.00029  -0.00018   0.00018  -0.00033   2.65482
   R10        2.66068  -0.00048   0.00122  -0.00096   0.00013   2.66081
   R11        2.03997   0.00065   0.00056   0.00117   0.00173   2.04170
   R12        2.59836  -0.00071  -0.00171  -0.00054  -0.00275   2.59561
   R13        1.91176  -0.00010  -0.00017  -0.00003  -0.00020   1.91157
   R14        2.53476   0.00023   0.00064  -0.00099  -0.00036   2.53440
   R15        2.03588   0.00000   0.00008   0.00036   0.00043   2.03631
   R16        4.24732   0.00002   0.00044  -0.00840  -0.00851   4.23881
   R17        2.91946   0.00011   0.00018   0.00180   0.00245   2.92191
   R18        2.07413  -0.00009  -0.00007  -0.00026  -0.00031   2.07382
   R19        2.07785  -0.00041  -0.00048  -0.00027  -0.00079   2.07707
   R20        2.07456   0.00031  -0.00059  -0.00015  -0.00099   2.07357
   R21        2.92875   0.00007   0.00026   0.00031   0.00077   2.92951
   R22        2.07706   0.00006  -0.00018   0.00006  -0.00011   2.07695
   R23        2.07280   0.00013   0.00025   0.00033   0.00058   2.07338
   R24        2.88270   0.00008   0.00007   0.00005   0.00013   2.88283
   R25        2.07084  -0.00005  -0.00071   0.00017  -0.00054   2.07030
   R26        2.07661   0.00005   0.00016   0.00023   0.00039   2.07700
   R27        2.40530  -0.00011  -0.00154   0.00084  -0.00068   2.40462
   R28        2.53192  -0.00086  -0.00407   0.00056  -0.00340   2.52853
   R29        4.27957  -0.00041   0.01823  -0.01989  -0.00177   4.27780
   R30        2.52916   0.00056   0.00936   0.00502   0.01442   2.54359
   R31        2.91511   0.00031  -0.00111   0.00078  -0.00018   2.91493
   R32        2.07200  -0.00005   0.00005  -0.00035  -0.00050   2.07150
   R33        2.07043  -0.00003  -0.00014   0.00029   0.00016   2.07059
   R34        2.07412  -0.00023  -0.00036  -0.00006  -0.00027   2.07385
   R35        2.84559   0.00037   0.00011   0.00063   0.00076   2.84635
   R36        2.07932  -0.00002  -0.00005  -0.00001  -0.00005   2.07927
   R37        2.08053  -0.00010   0.00010  -0.00072  -0.00060   2.07993
   R38        2.61916   0.00057   0.00032   0.00055   0.00079   2.61995
   R39        2.65850  -0.00057   0.00018  -0.00079  -0.00054   2.65797
   R40        2.65629  -0.00022  -0.00054  -0.00032  -0.00092   2.65538
   R41        2.03470   0.00018   0.00033  -0.00021   0.00013   2.03482
   R42        2.59512   0.00022  -0.00017  -0.00024  -0.00033   2.59479
   R43        1.91297  -0.00007  -0.00006  -0.00016  -0.00021   1.91275
   R44        2.53192  -0.00034  -0.00006  -0.00018  -0.00027   2.53165
   R45        2.03686  -0.00024  -0.00026  -0.00032  -0.00057   2.03629
   R46        4.06650  -0.00038  -0.01064  -0.00268  -0.01338   4.05313
   R47        2.91755  -0.00018  -0.00014   0.00062   0.00043   2.91798
   R48        2.07268   0.00000  -0.00013   0.00006   0.00020   2.07288
   R49        2.07206   0.00015  -0.00007  -0.00018  -0.00075   2.07131
   R50        2.07064  -0.00012  -0.00045   0.00002  -0.00015   2.07049
   R51        2.84538  -0.00055  -0.00155  -0.00064  -0.00246   2.84293
   R52        2.07899   0.00002  -0.00003  -0.00028  -0.00031   2.07869
   R53        2.07937  -0.00004   0.00022  -0.00005   0.00017   2.07953
   R54        2.62371  -0.00081  -0.00039  -0.00195  -0.00243   2.62128
   R55        2.65366  -0.00003  -0.00035   0.00042   0.00005   2.65371
   R56        2.65041  -0.00050  -0.00015  -0.00055  -0.00093   2.64949
   R57        2.03590  -0.00006   0.00025  -0.00016   0.00009   2.03599
   R58        2.60024   0.00016  -0.00006   0.00075   0.00064   2.60088
   R59        1.91304  -0.00004  -0.00005  -0.00004  -0.00009   1.91295
   R60        2.52789  -0.00034  -0.00062  -0.00100  -0.00164   2.52625
   R61        2.03689  -0.00004  -0.00007  -0.00023  -0.00030   2.03659
   R62        4.04549   0.00018   0.00316  -0.00494  -0.00204   4.04345
   R63        3.82443   0.00099   0.01056   0.00517   0.01558   3.84001
   R64        4.26132   0.00068   0.00704   0.03201   0.03941   4.30073
   R65        4.43927  -0.00083  -0.04073  -0.03763  -0.07789   4.36138
   R66        1.85534  -0.00038  -0.00041   0.00080   0.00029   1.85564
   R67        2.09844   0.00131  -0.00359   0.00290  -0.00069   2.09775
   R68        2.39934  -0.00038  -0.00081  -0.00041  -0.00129   2.39804
   R69        2.57926  -0.00059  -0.00062   0.00062  -0.00063   2.57863
   R70        2.86684   0.00018   0.00130   0.00117   0.00247   2.86931
   R71        2.77265  -0.00064  -0.00085  -0.00021  -0.00166   2.77099
   R72        1.91452  -0.00012  -0.00034  -0.00011  -0.00045   1.91407
   R73        2.90318  -0.00010  -0.00140   0.00037  -0.00137   2.90181
   R74        2.07374   0.00018   0.00052  -0.00005   0.00047   2.07420
   R75        2.06885   0.00001  -0.00007  -0.00011  -0.00018   2.06867
   R76        2.40832   0.00098   0.00061  -0.00028   0.00070   2.40903
   R77        2.55268  -0.00023  -0.00062   0.00016  -0.00046   2.55222
   R78        1.91823  -0.00012  -0.00049   0.00058   0.00008   1.91831
   R79        2.78942  -0.00058  -0.00203   0.00047  -0.00156   2.78787
   R80        2.06969  -0.00001  -0.00056  -0.00027  -0.00082   2.06887
   R81        2.06320  -0.00013   0.00043  -0.00042   0.00001   2.06321
   R82        2.07036   0.00000  -0.00034   0.00038   0.00005   2.07042
   R83        2.07184  -0.00008  -0.00066  -0.00014  -0.00080   2.07104
   R84        2.06915  -0.00007   0.00008   0.00001   0.00010   2.06925
   R85        2.06893  -0.00013  -0.00037  -0.00011  -0.00049   2.06844
    A1        1.92367  -0.00002  -0.00061   0.00055  -0.00022   1.92345
    A2        1.93628  -0.00016  -0.00092  -0.00070  -0.00131   1.93497
    A3        1.95168   0.00003   0.00006  -0.00111  -0.00070   1.95098
    A4        1.88923   0.00005   0.00047   0.00036   0.00042   1.88966
    A5        1.87472  -0.00001   0.00043   0.00077   0.00084   1.87556
    A6        1.88596   0.00011   0.00065   0.00022   0.00108   1.88704
    A7        1.99130  -0.00020  -0.00057  -0.00047  -0.00243   1.98887
    A8        1.91089  -0.00020  -0.00096  -0.00166  -0.00213   1.90877
    A9        1.90560  -0.00002  -0.00056  -0.00098  -0.00112   1.90448
   A10        1.87978   0.00011  -0.00082   0.00262   0.00219   1.88197
   A11        1.91568   0.00031   0.00186   0.00080   0.00303   1.91872
   A12        1.85564   0.00000   0.00113  -0.00028   0.00068   1.85632
   A13        2.30676  -0.00085  -0.00351   0.00099  -0.00213   2.30463
   A14        2.14568   0.00059   0.00274  -0.00062   0.00149   2.14716
   A15        1.83066   0.00026   0.00075  -0.00026   0.00073   1.83139
   A16        1.92013  -0.00032  -0.00075  -0.00041  -0.00142   1.91871
   A17        2.23791   0.00013  -0.00172   0.00529   0.00370   2.24162
   A18        2.12486   0.00020   0.00247  -0.00479  -0.00219   2.12267
   A19        1.89420   0.00003  -0.00004   0.00046   0.00025   1.89445
   A20        2.19022   0.00027   0.00193  -0.00009   0.00189   2.19211
   A21        2.19863  -0.00030  -0.00197  -0.00026  -0.00217   2.19645
   A22        1.92644  -0.00019   0.00039  -0.00078  -0.00024   1.92620
   A23        2.15840   0.00002  -0.00117   0.00133   0.00008   2.15848
   A24        2.19815   0.00018   0.00074  -0.00033   0.00032   2.19848
   A25        1.85331   0.00023  -0.00035   0.00114   0.00071   1.85402
   A26        2.23140  -0.00063   0.00075  -0.01280  -0.01183   2.21956
   A27        2.19839   0.00041   0.00000   0.01217   0.01050   2.20890
   A28        1.93373   0.00033  -0.00116  -0.00033  -0.00166   1.93207
   A29        1.93623  -0.00034   0.00036  -0.00102  -0.00080   1.93543
   A30        1.93402   0.00015   0.00149   0.00067   0.00213   1.93615
   A31        1.88430   0.00017  -0.00083   0.00158   0.00077   1.88507
   A32        1.88735  -0.00021   0.00065  -0.00019   0.00062   1.88797
   A33        1.88636  -0.00011  -0.00056  -0.00068  -0.00104   1.88532
   A34        1.96865   0.00044   0.00166   0.00160   0.00355   1.97221
   A35        1.91258   0.00001   0.00287   0.00033   0.00309   1.91567
   A36        1.91253  -0.00021  -0.00220  -0.00131  -0.00360   1.90893
   A37        1.90173  -0.00024  -0.00082  -0.00131  -0.00220   1.89953
   A38        1.89122  -0.00011   0.00019   0.00035   0.00047   1.89169
   A39        1.87469   0.00009  -0.00192   0.00027  -0.00160   1.87309
   A40        1.93682  -0.00064   0.00295  -0.00164   0.00130   1.93812
   A41        1.93704   0.00030   0.00026   0.00142   0.00166   1.93870
   A42        1.90263   0.00015  -0.00079   0.00111   0.00034   1.90297
   A43        1.90559   0.00009  -0.00253  -0.00111  -0.00363   1.90196
   A44        1.89140   0.00027  -0.00009   0.00137   0.00126   1.89267
   A45        1.88918  -0.00015   0.00015  -0.00112  -0.00098   1.88820
   A46        2.11348  -0.00124  -0.00022  -0.00353  -0.00381   2.10967
   A47        2.03371   0.00083   0.00036   0.00196   0.00227   2.03598
   A48        2.13491   0.00041   0.00007   0.00144   0.00163   2.13654
   A49        1.79704   0.00006   0.00075   0.00175   0.00240   1.79943
   A50        1.85488  -0.00051   0.00084  -0.00115  -0.00016   1.85472
   A51        1.94034  -0.00020  -0.00066  -0.00065  -0.00123   1.93911
   A52        1.92349  -0.00013  -0.00043   0.00027  -0.00021   1.92328
   A53        1.94035   0.00025   0.00124   0.00038   0.00151   1.94186
   A54        1.88338   0.00017  -0.00071  -0.00080  -0.00138   1.88200
   A55        1.89176  -0.00002   0.00038   0.00013   0.00056   1.89232
   A56        1.88255  -0.00007   0.00016   0.00067   0.00073   1.88327
   A57        1.97407   0.00039  -0.00078   0.00102   0.00019   1.97426
   A58        1.90269  -0.00007  -0.00068  -0.00223  -0.00304   1.89965
   A59        1.90724  -0.00017   0.00081   0.00170   0.00267   1.90990
   A60        1.90819  -0.00027  -0.00111  -0.00096  -0.00207   1.90612
   A61        1.90878   0.00013   0.00202   0.00136   0.00338   1.91216
   A62        1.85937  -0.00003  -0.00025  -0.00101  -0.00126   1.85810
   A63        2.31831   0.00046  -0.00138   0.00078  -0.00079   2.31753
   A64        2.13809  -0.00028   0.00106  -0.00023   0.00092   2.13900
   A65        1.82678  -0.00018   0.00030  -0.00062  -0.00036   1.82642
   A66        1.91827  -0.00009  -0.00046   0.00000  -0.00041   1.91785
   A67        2.24644   0.00013  -0.00029   0.00129   0.00097   2.24741
   A68        2.11789  -0.00004   0.00072  -0.00107  -0.00038   2.11751
   A69        1.90013   0.00026  -0.00033   0.00106   0.00073   1.90086
   A70        2.18827  -0.00008   0.00102  -0.00048   0.00053   2.18880
   A71        2.19415  -0.00018  -0.00074  -0.00031  -0.00105   2.19310
   A72        1.91816  -0.00017   0.00001  -0.00071  -0.00078   1.91738
   A73        2.18062   0.00022   0.00073   0.00140   0.00218   2.18280
   A74        2.18345  -0.00006  -0.00070  -0.00078  -0.00143   2.18203
   A75        1.86137   0.00018   0.00045   0.00039   0.00088   1.86225
   A76        2.19819  -0.00023  -0.00025  -0.00074  -0.00146   2.19673
   A77        2.20176   0.00006   0.00036  -0.00058   0.00017   2.20193
   A78        1.94089   0.00006  -0.00012  -0.00010  -0.00034   1.94054
   A79        1.94171   0.00013   0.00100   0.00021   0.00150   1.94321
   A80        1.92295   0.00012  -0.00090   0.00074  -0.00030   1.92265
   A81        1.89133  -0.00012  -0.00045  -0.00053  -0.00082   1.89051
   A82        1.87816  -0.00006   0.00040  -0.00054  -0.00050   1.87766
   A83        1.88673  -0.00014   0.00007   0.00019   0.00041   1.88714
   A84        1.96427  -0.00069  -0.00103  -0.00292  -0.00460   1.95967
   A85        1.90747   0.00018   0.00067   0.00117   0.00172   1.90919
   A86        1.90360   0.00036   0.00110   0.00057   0.00221   1.90581
   A87        1.91174   0.00026   0.00038   0.00131   0.00188   1.91361
   A88        1.91781   0.00005  -0.00191   0.00008  -0.00167   1.91614
   A89        1.85575  -0.00012   0.00091  -0.00005   0.00078   1.85654
   A90        2.30203   0.00011   0.00148  -0.00085   0.00030   2.30233
   A91        2.15467  -0.00014  -0.00168   0.00112  -0.00042   2.15425
   A92        1.82644   0.00004   0.00029  -0.00024   0.00016   1.82660
   A93        1.91736   0.00017  -0.00059   0.00064  -0.00004   1.91732
   A94        2.24789  -0.00003   0.00059   0.00033   0.00093   2.24882
   A95        2.11794  -0.00015   0.00000  -0.00098  -0.00097   2.11697
   A96        1.90010  -0.00015   0.00002  -0.00012  -0.00013   1.89997
   A97        2.19218  -0.00007  -0.00038  -0.00050  -0.00074   2.19144
   A98        2.19088   0.00022   0.00012   0.00064   0.00090   2.19178
   A99        1.91629  -0.00020  -0.00043  -0.00056  -0.00109   1.91520
   A100       2.18956   0.00008   0.00013  -0.00007   0.00012   2.18968
   A101       2.17724   0.00011   0.00023   0.00058   0.00089   2.17812
   A102       1.86457   0.00014   0.00065   0.00029   0.00111   1.86568
   A103       2.22473  -0.00008  -0.00226  -0.01381  -0.01641   2.20832
   A104       2.17864  -0.00003   0.00099   0.01297   0.01418   2.19283
   A105       1.72652  -0.00016  -0.00493  -0.01168  -0.01581   1.71071
   A106       1.50591   0.00022   0.00265   0.00239   0.00741   1.51332
   A107       1.60731  -0.00006   0.00740   0.01406   0.02147   1.62877
   A108       2.99236   0.00034   0.00593   0.01216   0.01562   3.00797
   A109       1.60514   0.00037   0.00622   0.01667   0.02153   1.62667
   A110       1.72028   0.00014   0.00677   0.01350   0.02029   1.74057
   A111       1.61843  -0.00003   0.00055  -0.00547  -0.00585   1.61259
   A112       1.53354  -0.00013  -0.00496  -0.00872  -0.01255   1.52098
   A113       2.94203  -0.00023  -0.00310  -0.00637  -0.00947   2.93256
   A114       2.94447  -0.00011  -0.00724  -0.00817  -0.01650   2.92796
   A115       1.52843  -0.00001  -0.00569  -0.00740  -0.01263   1.51580
   A116       1.49295  -0.00007  -0.00097  -0.00820  -0.00876   1.48419
   A117       1.61923  -0.00012  -0.00331  -0.00590  -0.01177   1.60746
   A118       1.45465  -0.00006  -0.00806  -0.00242  -0.01058   1.44407
   A119       1.42462  -0.00009   0.00452   0.00474   0.00873   1.43335
   A120       2.10950  -0.00040  -0.00639  -0.00247  -0.00847   2.10102
   A121       2.24193   0.00128  -0.00292   0.00259  -0.00091   2.24102
   A122       1.79424  -0.00070  -0.00062  -0.00602  -0.00610   1.78814
   A123       2.02023   0.00046  -0.00493   0.00970   0.00447   2.02470
   A124       2.93643   0.00028   0.00425  -0.00394  -0.00019   2.93624
   A125       2.13374  -0.00026   0.00268   0.00290   0.00580   2.13954
   A126       2.11074  -0.00008  -0.00134  -0.00149  -0.00292   2.10782
   A127       2.03864   0.00034  -0.00141  -0.00143  -0.00294   2.03570
   A128       2.36117   0.00010  -0.00841  -0.00762  -0.01532   2.34586
   A129       2.15236  -0.00024   0.00278   0.00327   0.00580   2.15816
   A130       2.06659   0.00012  -0.00181  -0.00213  -0.00375   2.06285
   A131       2.06387   0.00012  -0.00139  -0.00146  -0.00268   2.06119
   A132       1.97696   0.00012   0.00075   0.00096   0.00186   1.97881
   A133       1.90475  -0.00006  -0.00016   0.00063   0.00058   1.90534
   A134       1.89878   0.00005  -0.00046  -0.00089  -0.00155   1.89723
   A135       1.82366   0.00018  -0.00270   0.00298   0.00004   1.82370
   A136       1.95192  -0.00023   0.00220  -0.00307  -0.00072   1.95120
   A137       1.90534  -0.00006   0.00027  -0.00044  -0.00014   1.90520
   A138       2.09739   0.00015  -0.00225  -0.00035  -0.00168   2.09572
   A139       2.03040  -0.00072   0.00013   0.00103   0.00065   2.03105
   A140       2.15335   0.00056   0.00277  -0.00172   0.00054   2.15389
   A141       2.03547  -0.00080   0.01324   0.00692   0.02058   2.05605
   A142       2.06392  -0.00022   0.00031  -0.00046  -0.00013   2.06379
   A143       2.15584   0.00072  -0.00044  -0.00023  -0.00065   2.15519
   A144       2.03875  -0.00047   0.00039  -0.00069  -0.00028   2.03846
   A145       1.92283  -0.00010  -0.00075  -0.00210  -0.00284   1.91998
   A146       1.88947   0.00015   0.00128   0.00134   0.00262   1.89209
   A147       1.90214   0.00004  -0.00099   0.00448   0.00350   1.90563
   A148       1.90912   0.00015   0.00190   0.00098   0.00289   1.91202
   A149       1.93805  -0.00039  -0.00135  -0.00377  -0.00510   1.93295
   A150       1.90145   0.00016  -0.00007  -0.00079  -0.00087   1.90058
   A151       1.90741  -0.00031  -0.00016  -0.00231  -0.00246   1.90494
   A152       1.90302   0.00015   0.00011   0.00137   0.00148   1.90450
   A153       1.97538   0.00008   0.00057   0.00061   0.00117   1.97656
   A154       1.87690   0.00002  -0.00041   0.00023  -0.00018   1.87672
   A155       1.89433   0.00005  -0.00003   0.00007   0.00003   1.89436
   A156       1.90431   0.00001  -0.00013   0.00001  -0.00012   1.90420
    D1        3.11988  -0.00016   0.00226  -0.00430  -0.00206   3.11782
    D2        1.01205  -0.00002   0.00434  -0.00615  -0.00168   1.01037
    D3       -1.01290   0.00010   0.00385  -0.00433  -0.00068  -1.01358
    D4        1.02759  -0.00010   0.00266  -0.00465  -0.00160   1.02599
    D5       -1.08023   0.00003   0.00475  -0.00650  -0.00123  -1.08146
    D6       -3.10518   0.00015   0.00426  -0.00468  -0.00022  -3.10541
    D7       -1.07927  -0.00016   0.00242  -0.00369  -0.00160  -1.08086
    D8        3.09610  -0.00002   0.00451  -0.00554  -0.00122   3.09488
    D9        1.07115   0.00010   0.00402  -0.00372  -0.00022   1.07093
   D10       -2.12949   0.00034  -0.00751   0.05446   0.04697  -2.08252
   D11        1.02857   0.00011  -0.01222   0.04510   0.03270   1.06127
   D12       -0.00443   0.00004  -0.00965   0.05394   0.04425   0.03983
   D13       -3.12955  -0.00018  -0.01436   0.04457   0.02998  -3.09957
   D14        2.00876   0.00027  -0.00779   0.05546   0.04787   2.05663
   D15       -1.11636   0.00004  -0.01250   0.04610   0.03360  -1.08276
   D16       -3.13369   0.00029  -0.00611   0.00014  -0.00629  -3.13997
   D17        0.03311  -0.00008  -0.00692  -0.00383  -0.01081   0.02229
   D18       -0.00639   0.00049  -0.00205   0.00827   0.00610  -0.00029
   D19       -3.12279   0.00012  -0.00286   0.00430   0.00158  -3.12121
   D20        3.13730  -0.00034   0.00803  -0.00765   0.00055   3.13785
   D21       -0.02084  -0.00008  -0.00072  -0.00106  -0.00169  -0.02253
   D22        0.00833  -0.00050   0.00438  -0.01485  -0.01039  -0.00206
   D23        3.13338  -0.00024  -0.00437  -0.00826  -0.01263   3.12075
   D24        0.00206  -0.00030  -0.00108   0.00145   0.00049   0.00255
   D25       -3.12564  -0.00035  -0.01504  -0.03750  -0.05197   3.10558
   D26        3.12038   0.00005  -0.00034   0.00528   0.00475   3.12513
   D27       -0.00732  -0.00001  -0.01430  -0.03367  -0.04771  -0.05503
   D28       -0.00750   0.00034  -0.00533   0.01665   0.01131   0.00381
   D29       -3.12931   0.00001  -0.00639   0.00481  -0.00155  -3.13085
   D30       -3.13245   0.00007   0.00346   0.01002   0.01351  -3.11894
   D31        0.02893  -0.00025   0.00241  -0.00182   0.00065   0.02958
   D32        0.00336  -0.00003   0.00392  -0.01108  -0.00723  -0.00387
   D33        3.13140   0.00001   0.01763   0.02666   0.04458  -3.10721
   D34        3.12462   0.00030   0.00501   0.00111   0.00598   3.13059
   D35       -0.03053   0.00034   0.01871   0.03885   0.05779   0.02726
   D36        1.91184   0.00007   0.00460   0.00886   0.01294   1.92478
   D37       -2.65921   0.00025   0.01213   0.02340   0.03514  -2.62408
   D38        0.28705   0.00011   0.00310   0.01269   0.01648   0.30353
   D39       -1.88881  -0.00006  -0.05395  -0.10963  -0.16426  -2.05307
   D40       -1.16872   0.00016   0.01081   0.01414   0.02532  -1.14340
   D41       -1.21327   0.00001  -0.01200  -0.03722  -0.04965  -1.26292
   D42        0.49886   0.00019  -0.00447  -0.02268  -0.02745   0.47141
   D43       -2.83806   0.00005  -0.01349  -0.03339  -0.04611  -2.88417
   D44        1.26927  -0.00012  -0.07055  -0.15571  -0.22685   1.04242
   D45        1.98936   0.00011  -0.00579  -0.03194  -0.03727   1.95209
   D46        1.07247   0.00002   0.00241  -0.00103   0.00131   1.07378
   D47       -3.08885   0.00002   0.00455  -0.00138   0.00312  -3.08573
   D48       -1.03596   0.00001   0.00262  -0.00163   0.00088  -1.03509
   D49       -1.02021  -0.00019   0.00398  -0.00213   0.00196  -1.01825
   D50        1.10165  -0.00019   0.00612  -0.00248   0.00378   1.10543
   D51       -3.12864  -0.00020   0.00419  -0.00273   0.00153  -3.12711
   D52       -3.11566   0.00007   0.00345  -0.00105   0.00239  -3.11327
   D53       -0.99380   0.00007   0.00559  -0.00140   0.00421  -0.98959
   D54        1.05909   0.00006   0.00366  -0.00164   0.00196   1.06105
   D55       -1.07012   0.00012   0.00581   0.01184   0.01763  -1.05249
   D56        1.05209  -0.00001   0.00480   0.01027   0.01504   1.06713
   D57        3.13128   0.00008   0.00463   0.01045   0.01506  -3.13685
   D58        3.08507  -0.00002   0.00162   0.01127   0.01288   3.09795
   D59       -1.07590  -0.00014   0.00061   0.00970   0.01029  -1.06561
   D60        1.00328  -0.00006   0.00044   0.00989   0.01031   1.01359
   D61        1.05043   0.00006   0.00423   0.01146   0.01571   1.06614
   D62       -3.11055  -0.00006   0.00321   0.00990   0.01313  -3.09742
   D63       -1.03136   0.00003   0.00305   0.01008   0.01314  -1.01822
   D64       -0.93838  -0.00006   0.00152   0.01688   0.01840  -0.91998
   D65        2.15438   0.00000   0.00633   0.01405   0.02029   2.17467
   D66       -3.07891  -0.00007   0.00097   0.01692   0.01792  -3.06099
   D67        0.01385  -0.00001   0.00577   0.01410   0.01981   0.03367
   D68        1.15012  -0.00009   0.00226   0.01811   0.02040   1.17053
   D69       -2.04029  -0.00003   0.00707   0.01529   0.02229  -2.01800
   D70        2.91193   0.00008   0.01490   0.01230   0.02700   2.93892
   D71       -0.17797   0.00001   0.00981   0.01529   0.02499  -0.15298
   D72       -2.93320   0.00012  -0.00755  -0.00952  -0.01678  -2.94998
   D73        0.15892   0.00013  -0.00267  -0.01253  -0.01502   0.14390
   D74        0.06746  -0.00043  -0.02074  -0.01789  -0.03884   0.02862
   D75        0.28387  -0.00028  -0.00509   0.00110  -0.00466   0.27921
   D76       -1.05435   0.00016   0.00410  -0.00249   0.00172  -1.05263
   D77        1.07236   0.00002   0.00167  -0.00464  -0.00296   1.06940
   D78        3.09811  -0.00015   0.00145  -0.00616  -0.00469   3.09342
   D79        3.14137   0.00015   0.00569  -0.00126   0.00437  -3.13744
   D80       -1.01511   0.00002   0.00327  -0.00340  -0.00031  -1.01541
   D81        1.01065  -0.00015   0.00304  -0.00492  -0.00204   1.00861
   D82        1.05495   0.00016   0.00499  -0.00251   0.00263   1.05757
   D83       -3.10153   0.00002   0.00256  -0.00466  -0.00205  -3.10359
   D84       -1.07578  -0.00015   0.00234  -0.00618  -0.00378  -1.07957
   D85       -0.06021   0.00000   0.04964   0.02700   0.07644   0.01623
   D86        3.07568  -0.00020   0.04456   0.01059   0.05490   3.13058
   D87       -2.18382   0.00002   0.05183   0.02986   0.08167  -2.10215
   D88        0.95206  -0.00018   0.04675   0.01345   0.06013   1.01219
   D89        2.06966   0.00014   0.05162   0.03086   0.08245   2.15211
   D90       -1.07764  -0.00006   0.04654   0.01445   0.06091  -1.01673
   D91        3.13031  -0.00014  -0.00692  -0.00785  -0.01497   3.11534
   D92        0.02562  -0.00015  -0.00619  -0.01496  -0.02118   0.00444
   D93       -0.00630   0.00004  -0.00250   0.00645   0.00379  -0.00251
   D94       -3.11100   0.00003  -0.00177  -0.00066  -0.00242  -3.11341
   D95       -3.12638  -0.00002   0.00684   0.00351   0.01056  -3.11582
   D96       -0.02153   0.00015   0.00572   0.01115   0.01694  -0.00459
   D97        0.01089  -0.00017   0.00299  -0.00892  -0.00579   0.00510
   D98        3.11574   0.00000   0.00187  -0.00128   0.00059   3.11633
   D99       -0.00061   0.00011   0.00109  -0.00163  -0.00040  -0.00101
   D100      -2.92928   0.00007  -0.00168   0.00293   0.00143  -2.92785
   D101       3.10727   0.00012   0.00041   0.00493   0.00530   3.11257
   D102       0.17860   0.00009  -0.00236   0.00948   0.00713   0.18574
   D103      -0.01187   0.00025  -0.00246   0.00837   0.00585  -0.00602
   D104       3.08484   0.00019  -0.00079   0.00611   0.00520   3.09004
   D105      -3.11656   0.00007  -0.00137   0.00071  -0.00059  -3.11715
   D106      -0.01985   0.00002   0.00030  -0.00155  -0.00125  -0.02110
   D107       0.00764  -0.00022   0.00085  -0.00416  -0.00335   0.00430
   D108       2.93574  -0.00023   0.00352  -0.00875  -0.00544   2.93030
   D109      -3.08898  -0.00018  -0.00086  -0.00197  -0.00281  -3.09179
   D110      -0.16088  -0.00018   0.00180  -0.00656  -0.00490  -0.16578
   D111      -0.53347   0.00018  -0.00625  -0.00793  -0.01312  -0.54659
   D112      -2.06152  -0.00004  -0.00927  -0.01073  -0.02114  -2.08266
   D113       1.08182   0.00011   0.00108   0.00481   0.00688   1.08870
   D114       2.69936  -0.00001  -0.00247  -0.00131  -0.00521   2.69415
   D115       2.29555   0.00004  -0.03546  -0.02549  -0.06122   2.23433
   D116       2.86157   0.00013  -0.00953  -0.00262  -0.01096   2.85061
   D117       1.33352  -0.00009  -0.01255  -0.00542  -0.01898   1.31454
   D118      -1.80633   0.00006  -0.00221   0.01012   0.00905  -1.79728
   D119      -0.18879  -0.00006  -0.00576   0.00400  -0.00305  -0.19183
   D120      -0.59260  -0.00001  -0.03874  -0.02017  -0.05906  -0.65165
   D121      -1.05977   0.00006   0.00075  -0.00030  -0.00002  -1.05979
   D122       3.09536   0.00008   0.00046  -0.00084  -0.00054   3.09482
   D123       1.07329  -0.00008  -0.00161  -0.00175  -0.00367   1.06962
   D124       1.05029   0.00004   0.00077  -0.00090  -0.00028   1.05001
   D125      -1.07777   0.00005   0.00048  -0.00144  -0.00079  -1.07857
   D126      -3.09984  -0.00010  -0.00159  -0.00235  -0.00392  -3.10376
   D127      -3.14071   0.00003   0.00091  -0.00004   0.00101  -3.13970
   D128       1.01441   0.00004   0.00062  -0.00058   0.00050   1.01491
   D129      -1.00765  -0.00011  -0.00145  -0.00149  -0.00263  -1.01029
   D130       0.26131   0.00009   0.00627   0.03123   0.03794   0.29925
   D131      -2.86853  -0.00010  -0.00121   0.02755   0.02697  -2.84156
   D132       2.38695   0.00003   0.00671   0.03169   0.03836   2.42531
   D133      -0.74289  -0.00016  -0.00077   0.02801   0.02739  -0.71550
   D134      -1.86370   0.00006   0.00693   0.03243   0.03943  -1.82427
   D135       1.28964  -0.00013  -0.00055   0.02875   0.02846   1.31810
   D136      -3.13329   0.00014  -0.00313  -0.00132  -0.00390  -3.13719
   D137       0.00746  -0.00001  -0.01017  -0.00665  -0.01675  -0.00929
   D138      -0.00182   0.00030   0.00329   0.00186   0.00555   0.00373
   D139       3.13892   0.00016  -0.00375  -0.00346  -0.00729   3.13163
   D140       3.13630  -0.00022   0.00286   0.00121   0.00356   3.13986
   D141      -0.01382   0.00017   0.00607   0.00399   0.00990  -0.00393
   D142       0.00375  -0.00037  -0.00292  -0.00162  -0.00488  -0.00113
   D143       3.13681   0.00002   0.00029   0.00117   0.00146   3.13827
   D144      -0.00079  -0.00012  -0.00247  -0.00144  -0.00423  -0.00503
   D145       2.95957   0.00001  -0.00524  -0.00293  -0.00870   2.95087
   D146       3.14157   0.00001   0.00395   0.00342   0.00747  -3.13414
   D147      -0.18125   0.00015   0.00118   0.00193   0.00300  -0.17825
   D148      -0.00445   0.00032   0.00151   0.00080   0.00246  -0.00199
   D149      -3.13189   0.00038   0.00273   0.00497   0.00799  -3.12390
   D150      -3.13752  -0.00008  -0.00173  -0.00198  -0.00387  -3.14139
   D151       0.01823  -0.00002  -0.00051   0.00219   0.00166   0.01989
   D152       0.00320  -0.00012   0.00056   0.00038   0.00104   0.00424
   D153      -2.96323  -0.00024   0.00372   0.00529   0.00946  -2.95376
   D154       3.13076  -0.00018  -0.00066  -0.00376  -0.00446   3.12631
   D155       0.16434  -0.00030   0.00250   0.00115   0.00397   0.16831
   D156      -1.48335   0.00018   0.00016   0.00799   0.00718  -1.47617
   D157       0.23537   0.00005  -0.00483  -0.00407  -0.00850   0.22687
   D158      -2.91513  -0.00074  -0.05816  -0.08297  -0.14036  -3.05549
   D159       1.76206  -0.00009  -0.01093  -0.01469  -0.02447   1.73760
   D160      -3.09374  -0.00018  -0.00597  -0.00914  -0.01441  -3.10815
   D161       1.44650   0.00035  -0.00325   0.00431  -0.00021   1.44629
   D162      -3.11796   0.00022  -0.00824  -0.00775  -0.01589  -3.13386
   D163       0.01472  -0.00057  -0.06157  -0.08665  -0.14775  -0.13303
   D164      -1.59127   0.00008  -0.01434  -0.01837  -0.03186  -1.62313
   D165      -0.16389  -0.00001  -0.00938  -0.01281  -0.02180  -0.18569
   D166       1.91036  -0.00043  -0.00924  -0.03509  -0.04339   1.86697
   D167      -0.59486  -0.00054   0.00973  -0.02049  -0.00943  -0.60429
   D168       0.18179  -0.00027  -0.00471  -0.02390  -0.02835   0.15345
   D169      -2.32342  -0.00038   0.01426  -0.00930   0.00562  -2.31781
   D170      -2.95098   0.00051   0.04809   0.05418   0.10168  -2.84930
   D171       0.82699   0.00040   0.06706   0.06879   0.13565   0.96263
   D172      -1.35397  -0.00013   0.00037  -0.01464  -0.01503  -1.36899
   D173       2.42400  -0.00025   0.01934  -0.00003   0.01894   2.44294
   D174      -2.77169  -0.00005  -0.00411  -0.02000  -0.02471  -2.79641
   D175       1.00627  -0.00016   0.01486  -0.00540   0.00925   1.01552
   D176       0.58004   0.00032   0.05534   0.14499   0.20070   0.78075
   D177       3.07139   0.00017  -0.00285   0.02699   0.02409   3.09549
   D178       1.34928   0.00002  -0.01004   0.01272   0.00238   1.35166
   D179      -1.59508   0.00014  -0.00236   0.02131   0.01822  -1.57686
   D180      -0.14901   0.00009  -0.00985   0.02009   0.00981  -0.13921
   D181       2.02315  -0.00009   0.00846   0.00176   0.00831   2.03145
   D182      -0.80959   0.00007   0.03759   0.01985   0.05702  -0.75257
   D183      -2.75705   0.00010   0.01058   0.00249   0.01346  -2.74359
   D184       0.41958   0.00001   0.00189  -0.01040  -0.01033   0.40925
   D185      -1.21771   0.00011   0.00458  -0.00417   0.00122  -1.21649
   D186      -2.57891  -0.00046   0.03015   0.01903   0.04892  -2.52999
   D187       0.06515   0.00026   0.01404   0.01016   0.02448   0.08963
   D188       2.19548   0.00001  -0.02365  -0.01550  -0.03993   2.15554
   D189      -0.39560  -0.00003  -0.00601  -0.00330  -0.00944  -0.40505
   D190       0.86397   0.00041   0.00040  -0.02559  -0.02501   0.83896
   D191      -2.28984   0.00012  -0.00327  -0.02742  -0.03041  -2.32025
   D192       0.07975  -0.00017   0.00719   0.00669   0.01424   0.09400
   D193      -3.09132  -0.00019   0.00100  -0.00616  -0.00479  -3.09610
   D194      -3.05010   0.00011   0.01073   0.00845   0.01943  -3.03066
   D195       0.06202   0.00010   0.00454  -0.00440   0.00040   0.06242
   D196      -1.12486   0.00012   0.00365  -0.00102   0.00256  -1.12231
   D197       0.92219   0.00006   0.00313  -0.00127   0.00178   0.92398
   D198       3.04507   0.00022   0.00342   0.00014   0.00348   3.04855
   D199       2.00515  -0.00016   0.00017  -0.00272  -0.00247   2.00268
   D200      -2.23098  -0.00022  -0.00035  -0.00297  -0.00324  -2.23422
   D201      -0.10811  -0.00006  -0.00005  -0.00157  -0.00154  -0.10965
   D202      -1.40168  -0.00023   0.00237  -0.00328  -0.00060  -1.40228
   D203       0.62191   0.00003  -0.00063   0.00139   0.00094   0.62285
   D204       2.69927  -0.00005  -0.00067   0.00072   0.00019   2.69946
   D205       1.76935  -0.00021   0.00856   0.00956   0.01843   1.78778
   D206      -2.49025   0.00004   0.00556   0.01424   0.01997  -2.47028
   D207      -0.41289  -0.00003   0.00551   0.01356   0.01922  -0.39367
   D208       0.66019   0.00009  -0.00573   0.01069   0.00527   0.66545
   D209      -2.54770  -0.00007   0.00408  -0.00636  -0.00220  -2.54990
   D210      -1.41088  -0.00002  -0.00423   0.00754   0.00355  -1.40733
   D211       1.66441  -0.00018   0.00558  -0.00951  -0.00391   1.66050
   D212       2.81348   0.00007  -0.00407   0.00785   0.00406   2.81754
   D213      -0.39441  -0.00009   0.00574  -0.00920  -0.00340  -0.39781
   D214       1.00907   0.00027   0.00432  -0.00446  -0.00041   1.00866
   D215      -2.06136   0.00049  -0.00610   0.01372   0.00760  -2.05376
   D216      -0.02870   0.00028   0.00546  -0.00582  -0.00029  -0.02899
   D217      -2.92552   0.00023   0.00376   0.00102   0.00486  -2.92066
   D218       3.04425   0.00010   0.01537  -0.02341  -0.00812   3.03613
   D219       0.14743   0.00005   0.01367  -0.01657  -0.00297   0.14447
   D220      -2.27436  -0.00037  -0.01247  -0.05266  -0.06513  -2.33949
   D221      -0.18742  -0.00015  -0.00981  -0.05188  -0.06169  -0.24910
   D222       1.87839   0.00015  -0.00972  -0.04955  -0.05926   1.81913
   D223       1.10875  -0.00045  -0.01413  -0.04594  -0.06007   1.04868
   D224      -3.08749  -0.00023  -0.01146  -0.04516  -0.05663   3.13907
   D225      -1.02168   0.00008  -0.01137  -0.04284  -0.05420  -1.07588
         Item               Value     Threshold  Converged?
 Maximum Force            0.001517     0.000450     NO 
 RMS     Force            0.000306     0.000300     NO 
 Maximum Displacement     0.237603     0.001800     NO 
 RMS     Displacement     0.034941     0.001200     NO 
 Predicted change in Energy=-3.902818D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.928394    2.753440    3.493226
      2          6           0       -3.228226    1.378620    3.630819
      3          6           0       -1.982321    1.241996    2.799601
      4          6           0       -1.639075    0.370622    1.777259
      5          7           0       -0.859740    2.071169    2.960660
      6          6           0        0.101445    1.685205    2.058572
      7          7           0       -0.338328    0.655879    1.319812
      8          6           0       -5.156776    1.056402    0.132552
      9          6           0       -5.895375   -0.022045   -0.693392
     10          6           0       -5.314908   -1.444838   -0.488612
     11          6           0       -3.849157   -1.504028   -0.907308
     12          8           0       -3.481873   -1.102412   -2.057523
     13          8           0       -2.979983   -1.942701    0.010544
     14          6           0       -2.106760    4.212185   -3.102078
     15          6           0       -0.863840    3.748716   -3.889284
     16          6           0       -0.070813    2.688222   -3.171536
     17          6           0       -0.246710    2.040057   -1.958650
     18          7           0        1.092720    2.115061   -3.715611
     19          6           0        1.567662    1.163082   -2.847517
     20          7           0        0.776800    1.096311   -1.768232
     21          6           0        4.859802    3.880279    1.342488
     22          6           0        5.202007    2.537327    2.023447
     23          6           0        4.211531    1.457026    1.684092
     24          6           0        3.267810    1.349441    0.673188
     25          7           0        4.080385    0.268568    2.420559
     26          6           0        3.090116   -0.500009    1.852286
     27          7           0        2.578569    0.134353    0.792553
     28         30           0        0.809839   -0.436058   -0.267892
     29          1           0       -4.839044    2.777544    4.103861
     30          1           0       -4.207784    2.946208    2.452779
     31          1           0       -3.283041    3.575076    3.831400
     32          1           0       -3.920994    0.586682    3.328996
     33          1           0       -2.993972    1.198141    4.689957
     34          1           0       -2.234883   -0.415504    1.336426
     35          1           0       -0.781580    2.835125    3.619079
     36          1           0        1.068424    2.153951    1.978664
     37          1           0       -4.102213    1.118048   -0.164809
     38          1           0       -5.194036    0.821969    1.205749
     39          1           0       -5.612301    2.043665   -0.015263
     40          1           0       -6.960881   -0.031365   -0.423999
     41          1           0       -5.830220    0.228139   -1.759685
     42          1           0       -5.399373   -1.758008    0.557829
     43          1           0       -5.881896   -2.155558   -1.106205
     44          1           0       -2.794447    3.377509   -2.923086
     45          1           0       -2.648867    4.978148   -3.667759
     46          1           0       -1.825869    4.644014   -2.133068
     47          1           0       -1.186800    3.359988   -4.866652
     48          1           0       -0.217517    4.615210   -4.096363
     49          1           0       -1.035118    2.164355   -1.235862
     50          1           0        1.496145    2.347881   -4.614255
     51          1           0        2.422360    0.532130   -3.027844
     52          1           0        4.865093    3.783388    0.249870
     53          1           0        3.873013    4.243994    1.651304
     54          1           0        5.602398    4.639831    1.611000
     55          1           0        5.235649    2.678889    3.113775
     56          1           0        6.212565    2.224912    1.719899
     57          1           0        3.032640    2.051698   -0.109323
     58          1           0        4.626488    0.017435    3.235073
     59          1           0        2.758835   -1.459834    2.213487
     60          8           0       -0.852346   -1.329134   -1.022065
     61          1           0       -1.225899   -1.037544   -1.882111
     62          1           0       -1.752858   -1.682091   -0.477291
     63          6           0        2.781371   -2.722282   -1.578574
     64          8           0        2.174492   -1.610776   -1.659737
     65          7           0        2.166946   -3.866151   -1.158988
     66          6           0        0.732240   -3.959120   -0.870654
     67          6           0        0.352592   -3.415233    0.514276
     68          8           0        0.932792   -2.377426    0.974107
     69          7           0       -0.665673   -4.038989    1.145248
     70          1           0        0.181020   -3.323750   -1.575801
     71          1           0        0.414829   -4.998767   -1.000042
     72          1           0        2.724715   -4.708032   -1.081114
     73          1           0       -1.132174   -4.802583    0.665888
     74          6           0       -1.337023   -3.495497    2.341219
     75          1           0       -1.454145   -4.281201    3.094570
     76          1           0       -0.721237   -2.689958    2.746132
     77          1           0       -2.311457   -3.086308    2.052397
     78          6           0        4.242808   -2.839994   -1.973294
     79          1           0        4.343541   -2.632779   -3.044750
     80          1           0        4.821852   -2.082377   -1.435014
     81          1           0        4.667451   -3.827818   -1.768438
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0960655      0.0726458      0.0664899
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4912.1824269293 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33690 LenP2D=  122138.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999967    0.007028   -0.002545   -0.003079 Ang=   0.93 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97504898     A.U. after   11 cycles
            NFock= 11  Conv=0.57D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33690 LenP2D=  122138.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000582457    0.000138008   -0.000087152
      3        6           0.000157567   -0.000272905    0.000396169
      4        6          -0.000114886   -0.000482349   -0.001328066
      5        7           0.000512509    0.000551773    0.000068142
      6        6          -0.000299061   -0.000580674   -0.000582371
      7        7          -0.000184123    0.000198554    0.000288925
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000198331   -0.000499311    0.000062356
     10        6           0.000405083   -0.000221329    0.000003792
     11        6          -0.000306558   -0.000007117    0.000730224
     12        8          -0.000341835   -0.000687052   -0.000949314
     13        8          -0.000614366    0.000158040    0.000056152
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000258852    0.000224945   -0.000187682
     16        6          -0.000139852   -0.000008584   -0.000226796
     17        6          -0.000329346   -0.000063622    0.000411554
     18        7           0.000628789   -0.000114968    0.000034075
     19        6          -0.000039121    0.000376713   -0.000241018
     20        7          -0.000528139   -0.000254397   -0.000439762
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000100828   -0.000221415   -0.000103101
     23        6           0.000100269    0.000079289    0.000269534
     24        6           0.000215174    0.000296107    0.000134645
     25        7          -0.000899139    0.000191926   -0.000440146
     26        6           0.000193239    0.000104931   -0.000200547
     27        7          -0.000797154   -0.000716945   -0.001564845
     28       30           0.003207409    0.001292320    0.004024846
     29        1          -0.000109276   -0.000216317   -0.000162510
     30        1           0.000400463   -0.000260931   -0.000612921
     31        1           0.000025913   -0.000380384    0.000254864
     32        1           0.000041942    0.000349053   -0.000343437
     33        1          -0.000270555    0.000339040    0.000483468
     34        1          -0.000022249    0.000200312    0.000220508
     35        1          -0.000167968    0.000152171    0.000158270
     36        1           0.000227692   -0.000095181   -0.000219428
     37        1           0.000169796   -0.000233298    0.000002975
     38        1           0.000373843    0.000063926    0.000051987
     39        1           0.000452662   -0.000397124   -0.000031291
     40        1           0.000073447    0.000007178    0.000263586
     41        1          -0.000150632    0.000067760   -0.000015860
     42        1           0.000178665    0.000248868    0.000152459
     43        1          -0.000005694   -0.000057192    0.000093340
     44        1          -0.000059283    0.000222738    0.000037070
     45        1          -0.000140405   -0.000065384    0.000011198
     46        1           0.000085050    0.000047911   -0.000140161
     47        1          -0.000174575   -0.000018323   -0.000178885
     48        1           0.000101522   -0.000060531    0.000106392
     49        1           0.000003394   -0.000055047    0.000119571
     50        1           0.000003329   -0.000090281    0.000018247
     51        1           0.000007532   -0.000154816    0.000104946
     52        1           0.000034009   -0.000039005    0.000074806
     53        1           0.000324047    0.000027704    0.000214062
     54        1           0.000201915   -0.000098125   -0.000039326
     55        1           0.000019542   -0.000056450    0.000037949
     56        1           0.000087924   -0.000076343    0.000184191
     57        1          -0.000229809    0.000055873   -0.000162584
     58        1           0.000054949   -0.000095989    0.000066431
     59        1           0.000136983   -0.000051593    0.000181679
     60        8          -0.000575409    0.000073142   -0.001838012
     61        1           0.000618296    0.000211257    0.000393401
     62        1           0.000599836   -0.000365873    0.000445066
     63        6          -0.000863548   -0.000667224   -0.000031931
     64        8          -0.000114832    0.000258277   -0.000363071
     65        7           0.000171130    0.000500097   -0.000626628
     66        6          -0.000219593   -0.000419395    0.000022333
     67        6           0.000752710    0.000905815   -0.000958368
     68        8          -0.000710781   -0.000187678    0.001034203
     69        7           0.000236146   -0.001214614   -0.000120764
     70        1           0.000033069    0.000063497    0.000145762
     71        1           0.000122839    0.000153971    0.000003946
     72        1          -0.000082680    0.000045535    0.000184470
     73        1          -0.000417935    0.000254058    0.000335372
     74        6          -0.000060102   -0.000373950    0.000370378
     75        1           0.000104424    0.000251605    0.000045132
     76        1          -0.000347926    0.000300178   -0.000007564
     77        1           0.000117603    0.000444950   -0.000560642
     78        6          -0.000100540   -0.000068632    0.000606514
     79        1           0.000113998   -0.000049129   -0.000205750
     80        1           0.000069143    0.000048662   -0.000099063
     81        1          -0.000040480    0.000054442   -0.000037546
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.004024846 RMS     0.000497346

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.001299501 RMS     0.000253954
 Search for a local minimum.
 Step number  27 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   26   27
 DE= -4.00D-04 DEPred=-3.90D-04 R= 1.03D+00
 TightC=F SS=  1.41D+00  RLast= 5.73D-01 DXNew= 5.0454D+00 1.7184D+00
 Trust test= 1.03D+00 RLast= 5.73D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  0  1  0
     Eigenvalues ---    0.00097   0.00168   0.00229   0.00230   0.00232
     Eigenvalues ---    0.00232   0.00240   0.00377   0.00512   0.00528
     Eigenvalues ---    0.00549   0.00630   0.00647   0.00704   0.00746
     Eigenvalues ---    0.00756   0.00798   0.00847   0.00963   0.01037
     Eigenvalues ---    0.01153   0.01270   0.01295   0.01373   0.01438
     Eigenvalues ---    0.01463   0.01621   0.01682   0.01721   0.01757
     Eigenvalues ---    0.01812   0.01868   0.01869   0.01906   0.01941
     Eigenvalues ---    0.02013   0.02023   0.02067   0.02171   0.02178
     Eigenvalues ---    0.02267   0.02290   0.02357   0.02491   0.02532
     Eigenvalues ---    0.02764   0.03218   0.03438   0.03772   0.03906
     Eigenvalues ---    0.04010   0.04138   0.04247   0.04393   0.04437
     Eigenvalues ---    0.04724   0.04836   0.05036   0.05318   0.05373
     Eigenvalues ---    0.05374   0.05385   0.05412   0.05434   0.05452
     Eigenvalues ---    0.05501   0.05520   0.05527   0.05536   0.05570
     Eigenvalues ---    0.05911   0.06111   0.06890   0.06965   0.07248
     Eigenvalues ---    0.07468   0.07498   0.07713   0.07792   0.08319
     Eigenvalues ---    0.08529   0.09152   0.09338   0.09459   0.09495
     Eigenvalues ---    0.09727   0.09989   0.10440   0.10702   0.11112
     Eigenvalues ---    0.11747   0.12284   0.12578   0.12828   0.12952
     Eigenvalues ---    0.13042   0.13401   0.14478   0.14721   0.15500
     Eigenvalues ---    0.15664   0.15728   0.15875   0.15952   0.15974
     Eigenvalues ---    0.15983   0.15989   0.15992   0.15994   0.15997
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16000   0.16001
     Eigenvalues ---    0.16003   0.16004   0.16005   0.16009   0.16010
     Eigenvalues ---    0.16023   0.16037   0.16059   0.16086   0.16095
     Eigenvalues ---    0.16147   0.16251   0.16270   0.16347   0.16621
     Eigenvalues ---    0.17759   0.18455   0.20611   0.20795   0.21231
     Eigenvalues ---    0.21601   0.22103   0.22297   0.22485   0.22670
     Eigenvalues ---    0.22799   0.23017   0.23136   0.23603   0.23826
     Eigenvalues ---    0.24045   0.24175   0.24489   0.24904   0.25080
     Eigenvalues ---    0.25194   0.25444   0.27019   0.27270   0.27708
     Eigenvalues ---    0.28178   0.28301   0.28354   0.29180   0.30264
     Eigenvalues ---    0.30670   0.30922   0.31497   0.31575   0.31953
     Eigenvalues ---    0.33580   0.33614   0.33627   0.33662   0.33669
     Eigenvalues ---    0.33780   0.33810   0.33846   0.33873   0.33916
     Eigenvalues ---    0.33932   0.33952   0.33984   0.33994   0.34012
     Eigenvalues ---    0.34029   0.34046   0.34076   0.34088   0.34100
     Eigenvalues ---    0.34133   0.34174   0.34178   0.34190   0.34200
     Eigenvalues ---    0.34255   0.34301   0.34426   0.34623   0.35360
     Eigenvalues ---    0.35610   0.35763   0.36143   0.36232   0.36339
     Eigenvalues ---    0.36517   0.36522   0.37855   0.39157   0.39292
     Eigenvalues ---    0.39718   0.42329   0.42612   0.42763   0.43857
     Eigenvalues ---    0.45284   0.45352   0.45434   0.45506   0.45583
     Eigenvalues ---    0.45602   0.45644   0.46297   0.48917   0.49322
     Eigenvalues ---    0.49418   0.49851   0.49928   0.52307   0.54547
     Eigenvalues ---    0.54883   0.55043   0.57403   0.66733   0.73015
     Eigenvalues ---    0.762191000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    27   26   25   24   23
 RFO step:  Lambda=-7.80795335D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    0.89815    0.54167   -0.61506   -0.00011    0.17535
 Iteration  1 RMS(Cart)=  0.03303613 RMS(Int)=  0.00035050
 Iteration  2 RMS(Cart)=  0.00061967 RMS(Int)=  0.00014971
 Iteration  3 RMS(Cart)=  0.00000123 RMS(Int)=  0.00014971
 Iteration  4 RMS(Cart)=  0.00000000 RMS(Int)=  0.00014971
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48447  -0.00027   0.00005   0.00000   0.00000   8.48447
    Y1       -0.92761   0.00007  -0.00001   0.00000   0.00000  -0.92761
    Z1        7.47499  -0.00059   0.00003   0.00000   0.00000   7.47499
    X8       10.19808   0.00087  -0.00003   0.00000   0.00000  10.19808
    Y8        1.20620  -0.00130   0.00003   0.00000   0.00000   1.20620
    Z8        0.50969   0.00053  -0.00003   0.00000   0.00000   0.50969
   X14        7.21038  -0.00032   0.00001   0.00000   0.00000   7.21038
   Y14       -7.64139   0.00034  -0.00002   0.00000   0.00000  -7.64139
   Z14       -3.84249  -0.00026   0.00001   0.00000   0.00000  -3.84249
   X21       -6.13876   0.00068  -0.00003   0.00000   0.00000  -6.13876
   Y21       -9.38867  -0.00013   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00012  -0.00002   0.00000   0.00000   4.09468
    R1        2.92712   0.00106  -0.00217   0.00341   0.00093   2.92805
    R2        2.07245  -0.00025   0.00005  -0.00076  -0.00043   2.07203
    R3        2.06815   0.00077  -0.00021   0.00030  -0.00002   2.06813
    R4        2.07520   0.00042   0.00028  -0.00179  -0.00147   2.07372
    R5        2.84205  -0.00014  -0.00061  -0.00044  -0.00128   2.84077
    R6        2.06853   0.00045   0.00018  -0.00177  -0.00159   2.06694
    R7        2.07803   0.00063  -0.00040  -0.00080  -0.00121   2.07682
    R8        2.62004   0.00050  -0.00046   0.00152   0.00092   2.62097
    R9        2.65482  -0.00038  -0.00037  -0.00081  -0.00114   2.65368
   R10        2.66081  -0.00035  -0.00093   0.00132   0.00022   2.66102
   R11        2.04170   0.00001   0.00082   0.00006   0.00088   2.04258
   R12        2.59561   0.00033  -0.00033  -0.00092  -0.00130   2.59431
   R13        1.91157   0.00003  -0.00006  -0.00002  -0.00008   1.91149
   R14        2.53440  -0.00020   0.00040  -0.00057  -0.00026   2.53415
   R15        2.03631  -0.00010  -0.00027   0.00039   0.00012   2.03644
   R16        4.23881  -0.00073  -0.00256  -0.02087  -0.02367   4.21514
   R17        2.92191  -0.00087   0.00157  -0.00527  -0.00340   2.91851
   R18        2.07382  -0.00005  -0.00006   0.00009   0.00009   2.07391
   R19        2.07707   0.00003  -0.00004  -0.00047  -0.00060   2.07646
   R20        2.07357   0.00059  -0.00034   0.00226   0.00177   2.07534
   R21        2.92951  -0.00035   0.00088  -0.00288  -0.00190   2.92761
   R22        2.07695   0.00013  -0.00002   0.00029   0.00026   2.07721
   R23        2.07338  -0.00003   0.00019   0.00002   0.00022   2.07360
   R24        2.88283   0.00050   0.00016   0.00177   0.00199   2.88482
   R25        2.07030   0.00024  -0.00010   0.00043   0.00033   2.07064
   R26        2.07700  -0.00010   0.00019  -0.00038  -0.00019   2.07680
   R27        2.40462   0.00096   0.00003   0.00119   0.00126   2.40588
   R28        2.52853   0.00036  -0.00138  -0.00080  -0.00223   2.52630
   R29        4.27780  -0.00059   0.00970  -0.00152   0.00823   4.28602
   R30        2.54359  -0.00025   0.00409   0.00559   0.00966   2.55325
   R31        2.91493   0.00024  -0.00048   0.00184   0.00136   2.91628
   R32        2.07150   0.00019  -0.00015   0.00068   0.00045   2.07195
   R33        2.07059  -0.00007   0.00004  -0.00040  -0.00033   2.07025
   R34        2.07385  -0.00016   0.00014  -0.00091  -0.00070   2.07314
   R35        2.84635  -0.00008   0.00041   0.00044   0.00084   2.84719
   R36        2.07927   0.00012  -0.00001   0.00035   0.00035   2.07961
   R37        2.07993   0.00003   0.00006  -0.00025  -0.00018   2.07974
   R38        2.61995   0.00022   0.00079   0.00023   0.00100   2.62095
   R39        2.65797  -0.00046  -0.00006  -0.00108  -0.00113   2.65684
   R40        2.65538  -0.00004   0.00006  -0.00037  -0.00033   2.65505
   R41        2.03482   0.00007  -0.00025   0.00064   0.00038   2.03521
   R42        2.59479   0.00022  -0.00042   0.00105   0.00064   2.59544
   R43        1.91275   0.00004  -0.00001  -0.00001  -0.00002   1.91273
   R44        2.53165   0.00005  -0.00003  -0.00026  -0.00031   2.53135
   R45        2.03629  -0.00008  -0.00010  -0.00028  -0.00037   2.03591
   R46        4.05313   0.00029  -0.00230   0.00068  -0.00164   4.05149
   R47        2.91798  -0.00011  -0.00010  -0.00092  -0.00101   2.91696
   R48        2.07288  -0.00007   0.00002  -0.00006   0.00005   2.07293
   R49        2.07131   0.00038   0.00000   0.00090   0.00075   2.07205
   R50        2.07049  -0.00003  -0.00007  -0.00006  -0.00009   2.07040
   R51        2.84293   0.00033  -0.00109   0.00139   0.00026   2.84318
   R52        2.07869   0.00003   0.00008  -0.00007   0.00001   2.07870
   R53        2.07953  -0.00014   0.00009  -0.00043  -0.00034   2.07919
   R54        2.62128   0.00023  -0.00061   0.00081   0.00022   2.62150
   R55        2.65371   0.00010   0.00002  -0.00002  -0.00001   2.65371
   R56        2.64949  -0.00018  -0.00057   0.00016  -0.00043   2.64905
   R57        2.03599  -0.00006   0.00013  -0.00016  -0.00002   2.03597
   R58        2.60088   0.00029   0.00013   0.00031   0.00042   2.60131
   R59        1.91295  -0.00001   0.00004  -0.00013  -0.00009   1.91286
   R60        2.52625   0.00009  -0.00003  -0.00051  -0.00054   2.52572
   R61        2.03659  -0.00004   0.00005  -0.00024  -0.00019   2.03640
   R62        4.04345   0.00022   0.00150   0.00409   0.00556   4.04901
   R63        3.84001   0.00020   0.00277   0.00807   0.01076   3.85078
   R64        4.30073   0.00070  -0.00320   0.02692   0.02378   4.32450
   R65        4.36138   0.00062  -0.01220  -0.01020  -0.02236   4.33902
   R66        1.85564  -0.00021  -0.00005  -0.00050  -0.00055   1.85509
   R67        2.09775   0.00008  -0.00071  -0.00449  -0.00521   2.09254
   R68        2.39804   0.00016   0.00009  -0.00066  -0.00055   2.39749
   R69        2.57863   0.00029  -0.00012  -0.00071  -0.00093   2.57770
   R70        2.86931  -0.00011   0.00037   0.00033   0.00070   2.87001
   R71        2.77099   0.00007  -0.00037  -0.00101  -0.00151   2.76948
   R72        1.91407   0.00007   0.00001  -0.00008  -0.00007   1.91400
   R73        2.90181   0.00011  -0.00008  -0.00062  -0.00073   2.90107
   R74        2.07420  -0.00008   0.00020   0.00014   0.00035   2.07455
   R75        2.06867   0.00014   0.00004   0.00034   0.00038   2.06905
   R76        2.40903   0.00107   0.00045   0.00179   0.00233   2.41135
   R77        2.55222  -0.00044  -0.00036  -0.00104  -0.00141   2.55082
   R78        1.91831  -0.00013  -0.00022  -0.00022  -0.00044   1.91788
   R79        2.78787  -0.00021  -0.00086  -0.00040  -0.00127   2.78660
   R80        2.06887   0.00022   0.00007   0.00019   0.00025   2.06912
   R81        2.06321  -0.00012   0.00008  -0.00047  -0.00038   2.06283
   R82        2.07042   0.00015  -0.00010   0.00047   0.00037   2.07078
   R83        2.07104   0.00021  -0.00009   0.00037   0.00027   2.07132
   R84        2.06925  -0.00012   0.00007  -0.00041  -0.00034   2.06890
   R85        2.06844   0.00007  -0.00001  -0.00006  -0.00007   2.06837
    A1        1.92345   0.00012  -0.00044   0.00100   0.00052   1.92397
    A2        1.93497   0.00009  -0.00006  -0.00046  -0.00035   1.93462
    A3        1.95098   0.00020   0.00023   0.00148   0.00181   1.95279
    A4        1.88966  -0.00015   0.00015  -0.00146  -0.00142   1.88824
    A5        1.87556  -0.00017  -0.00023  -0.00077  -0.00121   1.87436
    A6        1.88704  -0.00011   0.00036   0.00010   0.00052   1.88756
    A7        1.98887  -0.00038  -0.00139  -0.00039  -0.00225   1.98662
    A8        1.90877   0.00025  -0.00013   0.00046   0.00042   1.90919
    A9        1.90448   0.00017  -0.00037   0.00101   0.00086   1.90533
   A10        1.88197  -0.00005   0.00111  -0.00328  -0.00204   1.87993
   A11        1.91872   0.00011   0.00051   0.00229   0.00291   1.92163
   A12        1.85632  -0.00008   0.00040  -0.00014   0.00021   1.85653
   A13        2.30463   0.00023  -0.00124   0.00064  -0.00069   2.30394
   A14        2.14716  -0.00024   0.00089  -0.00064   0.00020   2.14736
   A15        1.83139   0.00001   0.00040   0.00000   0.00050   1.83188
   A16        1.91871  -0.00020   0.00001  -0.00168  -0.00180   1.91691
   A17        2.24162  -0.00007   0.00023  -0.00062  -0.00034   2.24128
   A18        2.12267   0.00027  -0.00016   0.00238   0.00227   2.12494
   A19        1.89445   0.00008  -0.00044   0.00131   0.00083   1.89528
   A20        2.19211  -0.00004   0.00076   0.00028   0.00106   2.19317
   A21        2.19645  -0.00004  -0.00038  -0.00161  -0.00197   2.19449
   A22        1.92620  -0.00022   0.00011  -0.00086  -0.00088   1.92533
   A23        2.15848   0.00019  -0.00056   0.00134   0.00087   2.15935
   A24        2.19848   0.00003   0.00040  -0.00046   0.00002   2.19849
   A25        1.85402   0.00033  -0.00010   0.00124   0.00132   1.85534
   A26        2.21956  -0.00009   0.00192  -0.00493  -0.00286   2.21670
   A27        2.20890  -0.00024  -0.00209   0.00337   0.00163   2.21052
   A28        1.93207   0.00031   0.00009   0.00275   0.00269   1.93476
   A29        1.93543  -0.00016  -0.00022  -0.00019  -0.00046   1.93497
   A30        1.93615  -0.00024   0.00071  -0.00200  -0.00132   1.93483
   A31        1.88507   0.00016  -0.00024   0.00328   0.00305   1.88812
   A32        1.88797  -0.00010  -0.00008  -0.00186  -0.00188   1.88609
   A33        1.88532   0.00004  -0.00029  -0.00199  -0.00212   1.88319
   A34        1.97221   0.00004   0.00137  -0.00241  -0.00089   1.97131
   A35        1.91567  -0.00024   0.00041  -0.00031   0.00000   1.91567
   A36        1.90893   0.00015  -0.00047   0.00093   0.00046   1.90939
   A37        1.89953   0.00011  -0.00057   0.00117   0.00055   1.90008
   A38        1.89169  -0.00015  -0.00061  -0.00046  -0.00111   1.89059
   A39        1.87309   0.00009  -0.00021   0.00127   0.00108   1.87417
   A40        1.93812  -0.00013  -0.00035  -0.00154  -0.00174   1.93638
   A41        1.93870   0.00002   0.00028   0.00136   0.00155   1.94025
   A42        1.90297  -0.00004   0.00033  -0.00168  -0.00133   1.90163
   A43        1.90196   0.00027  -0.00078   0.00274   0.00194   1.90389
   A44        1.89267  -0.00006   0.00049  -0.00053  -0.00012   1.89255
   A45        1.88820  -0.00007   0.00005  -0.00037  -0.00030   1.88790
   A46        2.10967  -0.00053  -0.00223  -0.00052  -0.00265   2.10702
   A47        2.03598   0.00048   0.00150   0.00024   0.00166   2.03763
   A48        2.13654   0.00005   0.00080   0.00052   0.00128   2.13782
   A49        1.79943  -0.00020  -0.00030   0.00133   0.00102   1.80046
   A50        1.85472  -0.00030   0.00048  -0.00392  -0.00344   1.85127
   A51        1.93911  -0.00009  -0.00014  -0.00119  -0.00128   1.93783
   A52        1.92328  -0.00013  -0.00002  -0.00084  -0.00087   1.92241
   A53        1.94186   0.00010   0.00033   0.00095   0.00124   1.94310
   A54        1.88200   0.00015   0.00006   0.00078   0.00087   1.88287
   A55        1.89232  -0.00003   0.00026  -0.00045  -0.00018   1.89214
   A56        1.88327  -0.00001  -0.00049   0.00080   0.00026   1.88353
   A57        1.97426   0.00031   0.00121   0.00250   0.00368   1.97794
   A58        1.89965   0.00009  -0.00094   0.00044  -0.00054   1.89911
   A59        1.90990  -0.00022   0.00010  -0.00089  -0.00074   1.90916
   A60        1.90612  -0.00022  -0.00050  -0.00247  -0.00297   1.90315
   A61        1.91216  -0.00001   0.00058   0.00094   0.00151   1.91367
   A62        1.85810   0.00003  -0.00055  -0.00071  -0.00127   1.85684
   A63        2.31753   0.00042   0.00109   0.00125   0.00228   2.31981
   A64        2.13900  -0.00046  -0.00118  -0.00078  -0.00196   2.13704
   A65        1.82642   0.00004   0.00010  -0.00073  -0.00064   1.82577
   A66        1.91785  -0.00002  -0.00044   0.00041  -0.00002   1.91783
   A67        2.24741   0.00002   0.00034   0.00032   0.00065   2.24807
   A68        2.11751   0.00000   0.00006  -0.00071  -0.00065   2.11686
   A69        1.90086   0.00007  -0.00003   0.00108   0.00106   1.90192
   A70        2.18880  -0.00007   0.00031  -0.00061  -0.00030   2.18850
   A71        2.19310   0.00000  -0.00030  -0.00039  -0.00069   2.19241
   A72        1.91738  -0.00006   0.00023  -0.00115  -0.00093   1.91645
   A73        2.18280   0.00000   0.00005   0.00133   0.00139   2.18420
   A74        2.18203   0.00006  -0.00025  -0.00016  -0.00040   2.18163
   A75        1.86225  -0.00003   0.00013   0.00040   0.00055   1.86280
   A76        2.19673  -0.00019   0.00054  -0.00148  -0.00103   2.19570
   A77        2.20193   0.00022   0.00021  -0.00022   0.00007   2.20200
   A78        1.94054   0.00007   0.00001   0.00063   0.00058   1.94112
   A79        1.94321  -0.00014   0.00059  -0.00098  -0.00032   1.94290
   A80        1.92265   0.00031  -0.00048   0.00267   0.00216   1.92481
   A81        1.89051   0.00001  -0.00016  -0.00063  -0.00076   1.88975
   A82        1.87766  -0.00013   0.00016  -0.00069  -0.00062   1.87704
   A83        1.88714  -0.00013  -0.00013  -0.00108  -0.00115   1.88599
   A84        1.95967  -0.00008  -0.00177   0.00132  -0.00054   1.95913
   A85        1.90919  -0.00007  -0.00013  -0.00012  -0.00031   1.90888
   A86        1.90581   0.00002   0.00176  -0.00123   0.00064   1.90645
   A87        1.91361   0.00004   0.00006  -0.00002   0.00007   1.91369
   A88        1.91614   0.00013  -0.00003   0.00055   0.00053   1.91667
   A89        1.85654  -0.00004   0.00023  -0.00061  -0.00039   1.85614
   A90        2.30233  -0.00013  -0.00042   0.00234   0.00194   2.30427
   A91        2.15425   0.00021  -0.00003  -0.00166  -0.00169   2.15256
   A92        1.82660  -0.00008   0.00040  -0.00068  -0.00026   1.82634
   A93        1.91732   0.00020  -0.00024   0.00050   0.00020   1.91752
   A94        2.24882  -0.00009   0.00012   0.00033   0.00046   2.24929
   A95        2.11697  -0.00011   0.00012  -0.00083  -0.00070   2.11627
   A96        1.89997  -0.00012  -0.00033   0.00018  -0.00017   1.89980
   A97        2.19144  -0.00003   0.00004  -0.00105  -0.00099   2.19045
   A98        2.19178   0.00015   0.00016   0.00089   0.00108   2.19286
   A99        1.91520   0.00011  -0.00027   0.00040   0.00011   1.91531
   A100       2.18968  -0.00010   0.00005  -0.00056  -0.00049   2.18918
   A101       2.17812  -0.00001   0.00016   0.00015   0.00031   2.17844
   A102       1.86568  -0.00011   0.00040  -0.00042   0.00001   1.86569
   A103       2.20832   0.00012   0.00155  -0.00104   0.00050   2.20882
   A104       2.19283  -0.00001  -0.00188   0.00181  -0.00004   2.19279
   A105       1.71071  -0.00005  -0.00009  -0.00410  -0.00408   1.70662
   A106       1.51332   0.00056   0.00145   0.00633   0.00884   1.52215
   A107       1.62877  -0.00046   0.00035   0.01102   0.01153   1.64030
   A108       3.00797   0.00006   0.00122   0.00209   0.00262   3.01060
   A109       1.62667   0.00031   0.00016   0.00592   0.00587   1.63254
   A110       1.74057  -0.00032   0.00225   0.00066   0.00270   1.74327
   A111       1.61259  -0.00034   0.00095  -0.00515  -0.00472   1.60787
   A112       1.52098   0.00000  -0.00146  -0.00465  -0.00580   1.51518
   A113       2.93256  -0.00028  -0.00045  -0.00231  -0.00277   2.92979
   A114       2.92796   0.00065  -0.00302   0.00223  -0.00158   2.92638
   A115       1.51580  -0.00050  -0.00195  -0.01005  -0.01222   1.50358
   A116       1.48419   0.00034  -0.00147   0.00006  -0.00115   1.48304
   A117       1.60746   0.00046   0.00000  -0.00506  -0.00588   1.60158
   A118       1.44407   0.00030  -0.00207   0.00132  -0.00058   1.44349
   A119       1.43335  -0.00025   0.00151   0.00347   0.00479   1.43813
   A120       2.10102   0.00005  -0.00388   0.00551   0.00155   2.10258
   A121       2.24102  -0.00017  -0.00113  -0.01368  -0.01533   2.22569
   A122       1.78814   0.00006   0.00137  -0.00184  -0.00042   1.78773
   A123       2.02470   0.00024  -0.00267  -0.00113  -0.00389   2.02081
   A124       2.93624   0.00018   0.00076   0.00625   0.00700   2.94325
   A125       2.13954  -0.00033  -0.00001  -0.00158  -0.00158   2.13796
   A126       2.10782   0.00005  -0.00020   0.00022   0.00001   2.10783
   A127       2.03570   0.00028   0.00017   0.00133   0.00150   2.03720
   A128       2.34586   0.00048  -0.00227  -0.00437  -0.00652   2.33934
   A129       2.15816  -0.00013   0.00000  -0.00145  -0.00153   2.15664
   A130       2.06285   0.00008  -0.00006   0.00047   0.00053   2.06337
   A131       2.06119   0.00006  -0.00006   0.00084   0.00089   2.06208
   A132       1.97881   0.00028   0.00018   0.00406   0.00420   1.98301
   A133       1.90534   0.00013  -0.00011   0.00092   0.00082   1.90616
   A134       1.89723  -0.00008  -0.00024   0.00012  -0.00010   1.89713
   A135       1.82370  -0.00017  -0.00026  -0.00155  -0.00181   1.82189
   A136       1.95120  -0.00018   0.00042  -0.00266  -0.00221   1.94899
   A137       1.90520   0.00002  -0.00001  -0.00103  -0.00105   1.90415
   A138       2.09572  -0.00005  -0.00118   0.00440   0.00337   2.09909
   A139       2.03105  -0.00056  -0.00034  -0.00322  -0.00365   2.02740
   A140       2.15389   0.00063   0.00181  -0.00105   0.00069   2.15458
   A141       2.05605  -0.00026   0.00401   0.00691   0.01098   2.06703
   A142       2.06379  -0.00047   0.00016  -0.00074  -0.00056   2.06323
   A143       2.15519   0.00124   0.00131   0.00503   0.00637   2.16155
   A144       2.03846  -0.00070  -0.00018  -0.00260  -0.00275   2.03571
   A145       1.91998   0.00005   0.00006  -0.00168  -0.00162   1.91836
   A146       1.89209   0.00002   0.00068   0.00152   0.00220   1.89429
   A147       1.90563  -0.00074  -0.00232  -0.00058  -0.00290   1.90273
   A148       1.91202  -0.00001   0.00073   0.00080   0.00153   1.91354
   A149       1.93295   0.00003  -0.00048  -0.00363  -0.00412   1.92883
   A150       1.90058   0.00064   0.00135   0.00373   0.00508   1.90566
   A151       1.90494  -0.00018  -0.00038  -0.00229  -0.00268   1.90226
   A152       1.90450   0.00002   0.00012   0.00087   0.00100   1.90550
   A153       1.97656   0.00004   0.00033   0.00060   0.00093   1.97749
   A154       1.87672   0.00005  -0.00009   0.00003  -0.00006   1.87666
   A155       1.89436   0.00004  -0.00007  -0.00005  -0.00012   1.89424
   A156       1.90420   0.00004   0.00007   0.00081   0.00087   1.90507
    D1        3.11782  -0.00007   0.00051  -0.00743  -0.00689   3.11093
    D2        1.01037   0.00008   0.00010  -0.00330  -0.00307   1.00730
    D3       -1.01358  -0.00007  -0.00010  -0.00396  -0.00404  -1.01761
    D4        1.02599  -0.00002   0.00065  -0.00595  -0.00523   1.02076
    D5       -1.08146   0.00013   0.00025  -0.00182  -0.00141  -1.08286
    D6       -3.10541  -0.00002   0.00005  -0.00248  -0.00237  -3.10778
    D7       -1.08086  -0.00008   0.00008  -0.00677  -0.00689  -1.08775
    D8        3.09488   0.00007  -0.00033  -0.00264  -0.00306   3.09181
    D9        1.07093  -0.00007  -0.00053  -0.00330  -0.00403   1.06690
   D10       -2.08252  -0.00008  -0.00652  -0.01900  -0.02541  -2.10793
   D11        1.06127  -0.00006  -0.01202  -0.01785  -0.02980   1.03147
   D12        0.03983  -0.00005  -0.00678  -0.02101  -0.02779   0.01204
   D13       -3.09957  -0.00004  -0.01228  -0.01986  -0.03218  -3.13174
   D14        2.05663  -0.00011  -0.00542  -0.02179  -0.02713   2.02950
   D15       -1.08276  -0.00010  -0.01092  -0.02064  -0.03152  -1.11429
   D16       -3.13997   0.00012   0.00113  -0.00075   0.00025  -3.13973
   D17        0.02229  -0.00016  -0.00323  -0.00562  -0.00891   0.01339
   D18       -0.00029   0.00011   0.00591  -0.00175   0.00406   0.00377
   D19       -3.12121  -0.00017   0.00155  -0.00661  -0.00510  -3.12631
   D20        3.13785   0.00008   0.00363   0.00273   0.00646  -3.13887
   D21       -0.02253   0.00004   0.00118   0.00133   0.00253  -0.02000
   D22       -0.00206   0.00009  -0.00058   0.00361   0.00309   0.00104
   D23        3.12075   0.00005  -0.00303   0.00221  -0.00085   3.11990
   D24        0.00255  -0.00027  -0.00912  -0.00078  -0.00979  -0.00724
   D25        3.10558  -0.00017   0.00229  -0.00942  -0.00721   3.09837
   D26        3.12513  -0.00002  -0.00509   0.00366  -0.00139   3.12374
   D27       -0.05503   0.00009   0.00632  -0.00498   0.00119  -0.05383
   D28        0.00381  -0.00027  -0.00522  -0.00431  -0.00954  -0.00573
   D29       -3.13085  -0.00013  -0.00282  -0.00743  -0.01035  -3.14120
   D30       -3.11894  -0.00023  -0.00274  -0.00294  -0.00564  -3.12458
   D31        0.02958  -0.00010  -0.00034  -0.00606  -0.00645   0.02313
   D32       -0.00387   0.00032   0.00868   0.00311   0.01174   0.00787
   D33       -3.10721   0.00022  -0.00233   0.01193   0.00930  -3.09791
   D34        3.13059   0.00019   0.00620   0.00633   0.01258  -3.14001
   D35        0.02726   0.00009  -0.00481   0.01514   0.01014   0.03740
   D36        1.92478  -0.00008   0.00215   0.01531   0.01729   1.94207
   D37       -2.62408  -0.00033   0.00470   0.01696   0.02131  -2.60277
   D38        0.30353   0.00033   0.00115   0.01921   0.02072   0.32425
   D39       -2.05307  -0.00018  -0.00447  -0.05933  -0.06395  -2.11702
   D40       -1.14340   0.00003   0.00323   0.01703   0.02038  -1.12302
   D41       -1.26292   0.00005   0.01558   0.00488   0.02034  -1.24257
   D42        0.47141  -0.00019   0.01813   0.00653   0.02436   0.49577
   D43       -2.88417   0.00046   0.01458   0.00877   0.02377  -2.86040
   D44        1.04242  -0.00005   0.00896  -0.06976  -0.06090   0.98152
   D45        1.95209   0.00016   0.01666   0.00660   0.02343   1.97552
   D46        1.07378   0.00007   0.00150  -0.01482  -0.01332   1.06046
   D47       -3.08573   0.00007   0.00199  -0.01519  -0.01322  -3.09895
   D48       -1.03509   0.00014   0.00170  -0.01329  -0.01164  -1.04673
   D49       -1.01825  -0.00022   0.00190  -0.02062  -0.01862  -1.03686
   D50        1.10543  -0.00022   0.00238  -0.02099  -0.01852   1.08691
   D51       -3.12711  -0.00016   0.00209  -0.01909  -0.01694   3.13913
   D52       -3.11327   0.00000   0.00193  -0.01666  -0.01477  -3.12804
   D53       -0.98959   0.00000   0.00241  -0.01703  -0.01467  -1.00426
   D54        1.06105   0.00006   0.00212  -0.01513  -0.01310   1.04796
   D55       -1.05249  -0.00031   0.00227  -0.00678  -0.00460  -1.05708
   D56        1.06713  -0.00004   0.00123  -0.00342  -0.00226   1.06487
   D57       -3.13685  -0.00013   0.00167  -0.00412  -0.00254  -3.13939
   D58        3.09795  -0.00011   0.00124  -0.00561  -0.00439   3.09356
   D59       -1.06561   0.00016   0.00019  -0.00225  -0.00206  -1.06768
   D60        1.01359   0.00007   0.00064  -0.00295  -0.00234   1.01125
   D61        1.06614  -0.00020   0.00213  -0.00749  -0.00536   1.06078
   D62       -3.09742   0.00007   0.00108  -0.00413  -0.00303  -3.10046
   D63       -1.01822  -0.00002   0.00153  -0.00483  -0.00331  -1.02153
   D64       -0.91998   0.00004  -0.00269  -0.00535  -0.00811  -0.92810
   D65        2.17467   0.00021  -0.00113   0.00036  -0.00087   2.17380
   D66       -3.06099  -0.00009  -0.00228  -0.00791  -0.01023  -3.07122
   D67        0.03367   0.00008  -0.00072  -0.00220  -0.00299   0.03068
   D68        1.17053  -0.00012  -0.00219  -0.00868  -0.01088   1.15965
   D69       -2.01800   0.00005  -0.00063  -0.00297  -0.00364  -2.02164
   D70        2.93892   0.00021   0.00349   0.01379   0.01720   2.95613
   D71       -0.15298   0.00002   0.00182   0.00776   0.00954  -0.14344
   D72       -2.94998  -0.00024  -0.00386  -0.00966  -0.01345  -2.96343
   D73        0.14390  -0.00008  -0.00239  -0.00389  -0.00618   0.13771
   D74        0.02862   0.00015   0.00059  -0.01124  -0.01073   0.01790
   D75        0.27921   0.00006   0.00234  -0.00562  -0.00355   0.27567
   D76       -1.05263   0.00005   0.00299  -0.00099   0.00205  -1.05057
   D77        1.06940   0.00004   0.00248  -0.00217   0.00032   1.06972
   D78        3.09342   0.00000   0.00136  -0.00326  -0.00190   3.09152
   D79       -3.13744   0.00000   0.00303  -0.00066   0.00235  -3.13509
   D80       -1.01541  -0.00001   0.00252  -0.00183   0.00062  -1.01479
   D81        1.00861  -0.00005   0.00139  -0.00293  -0.00160   1.00700
   D82        1.05757   0.00002   0.00345  -0.00172   0.00179   1.05937
   D83       -3.10359   0.00001   0.00294  -0.00290   0.00006  -3.10352
   D84       -1.07957  -0.00002   0.00182  -0.00400  -0.00216  -1.08173
   D85        0.01623   0.00001   0.01281   0.00106   0.01379   0.03003
   D86        3.13058   0.00003   0.01313  -0.01385  -0.00082   3.12975
   D87       -2.10215  -0.00015   0.01356   0.00059   0.01415  -2.08800
   D88        1.01219  -0.00014   0.01388  -0.01432  -0.00047   1.01172
   D89        2.15211  -0.00006   0.01419   0.00232   0.01650   2.16862
   D90       -1.01673  -0.00005   0.01451  -0.01259   0.00189  -1.01484
   D91        3.11534  -0.00009  -0.00228  -0.01154  -0.01392   3.10143
   D92        0.00444  -0.00006  -0.00100  -0.01214  -0.01317  -0.00873
   D93       -0.00251  -0.00009  -0.00255   0.00146  -0.00115  -0.00366
   D94       -3.11341  -0.00006  -0.00127   0.00086  -0.00040  -3.11381
   D95       -3.11582   0.00004   0.00143   0.00855   0.01001  -3.10581
   D96       -0.00459   0.00006   0.00119   0.01148   0.01267   0.00807
   D97        0.00510   0.00006   0.00168  -0.00273  -0.00100   0.00410
   D98        3.11633   0.00007   0.00144   0.00020   0.00165   3.11798
   D99       -0.00101   0.00009   0.00250   0.00036   0.00291   0.00189
   D100      -2.92785   0.00004  -0.00167   0.00646   0.00486  -2.92299
   D101       3.11257   0.00006   0.00135   0.00092   0.00225   3.11482
   D102       0.18574   0.00001  -0.00283   0.00703   0.00420   0.18994
   D103      -0.00602  -0.00001  -0.00019   0.00311   0.00289  -0.00312
   D104       3.09004   0.00004   0.00070   0.00366   0.00431   3.09435
   D105      -3.11715  -0.00002   0.00005   0.00017   0.00023  -3.11693
   D106      -0.02110   0.00003   0.00093   0.00072   0.00165  -0.01945
   D107       0.00430  -0.00005  -0.00138  -0.00212  -0.00352   0.00078
   D108       2.93030  -0.00006   0.00287  -0.00845  -0.00565   2.92465
   D109      -3.09179  -0.00010  -0.00228  -0.00272  -0.00499  -3.09678
   D110      -0.16578  -0.00011   0.00197  -0.00905  -0.00713  -0.17291
   D111      -0.54659   0.00033   0.00296   0.02118   0.02447  -0.52212
   D112      -2.08266  -0.00019   0.00112   0.01529   0.01575  -2.06691
   D113       1.08870  -0.00018   0.00345   0.03137   0.03525   1.12396
   D114       2.69415   0.00030   0.00335   0.02636   0.02939   2.72354
   D115       2.23433   0.00026  -0.00270   0.01658   0.01382   2.24815
   D116       2.85061   0.00031  -0.00202   0.02842   0.02678   2.87738
   D117       1.31454  -0.00021  -0.00386   0.02253   0.01806   1.33260
   D118      -1.79728  -0.00020  -0.00152   0.03861   0.03756  -1.75972
   D119      -0.19183   0.00028  -0.00162   0.03360   0.03170  -0.16014
   D120      -0.65165   0.00024  -0.00768   0.02382   0.01613  -0.63553
   D121      -1.05979  -0.00002  -0.00132   0.00367   0.00223  -1.05756
   D122       3.09482   0.00004  -0.00014   0.00289   0.00272   3.09754
   D123       1.06962   0.00011  -0.00132   0.00438   0.00300   1.07262
   D124       1.05001  -0.00005  -0.00112   0.00263   0.00144   1.05145
   D125      -1.07857   0.00001   0.00007   0.00185   0.00193  -1.07664
   D126      -3.10376   0.00008  -0.00112   0.00334   0.00221  -3.10155
   D127      -3.13970  -0.00010  -0.00122   0.00240   0.00123  -3.13847
   D128       1.01491  -0.00004  -0.00004   0.00162   0.00171   1.01663
   D129      -1.01029   0.00003  -0.00122   0.00311   0.00200  -1.00829
   D130       0.29925   0.00008  -0.00611   0.02338   0.01740   0.31665
   D131      -2.84156   0.00009  -0.00321   0.01330   0.01028  -2.83128
   D132       2.42531  -0.00004  -0.00741   0.02411   0.01669   2.44200
   D133      -0.71550  -0.00003  -0.00451   0.01403   0.00957  -0.70593
   D134      -1.82427   0.00001  -0.00711   0.02368   0.01657  -1.80770
   D135       1.31810   0.00002  -0.00421   0.01360   0.00945   1.32755
   D136      -3.13719   0.00029   0.00346   0.00157   0.00518  -3.13201
   D137      -0.00929   0.00020   0.00196   0.00073   0.00271  -0.00658
   D138       0.00373   0.00028   0.00097   0.01027   0.01133   0.01506
   D139       3.13163   0.00019  -0.00053   0.00943   0.00886   3.14049
   D140       3.13986  -0.00035  -0.00229  -0.00477  -0.00717   3.13269
   D141      -0.00393   0.00000   0.00034   0.00768   0.00798   0.00406
   D142      -0.00113  -0.00034  -0.00003  -0.01253  -0.01264  -0.01377
   D143       3.13827   0.00000   0.00260  -0.00008   0.00251   3.14078
   D144      -0.00503  -0.00011  -0.00156  -0.00425  -0.00589  -0.01092
   D145       2.95087  -0.00011  -0.00092  -0.00213  -0.00326   2.94761
   D146      -3.13414  -0.00003  -0.00020  -0.00350  -0.00365  -3.13779
   D147      -0.17825  -0.00003   0.00044  -0.00138  -0.00102  -0.17927
   D148      -0.00199   0.00029  -0.00096   0.01050   0.00959   0.00760
   D149      -3.12390   0.00026   0.00205   0.01110   0.01322  -3.11068
   D150      -3.14139  -0.00006  -0.00360  -0.00195  -0.00558   3.13622
   D151       0.01989  -0.00008  -0.00059  -0.00135  -0.00196   0.01793
   D152       0.00424  -0.00011   0.00152  -0.00387  -0.00233   0.00190
   D153      -2.95376  -0.00013   0.00053  -0.00558  -0.00501  -2.95877
   D154       3.12631  -0.00008  -0.00147  -0.00448  -0.00594   3.12036
   D155       0.16831  -0.00011  -0.00245  -0.00619  -0.00861   0.15969
   D156      -1.47617   0.00021  -0.00001   0.00120   0.00093  -1.47524
   D157       0.22687   0.00027  -0.00004  -0.00194  -0.00182   0.22505
   D158      -3.05549  -0.00020  -0.01401  -0.07991  -0.09363   3.13407
   D159       1.73760   0.00020  -0.00185  -0.00847  -0.01008   1.72751
   D160      -3.10815  -0.00003  -0.00016  -0.00418  -0.00424  -3.11239
   D161       1.44629   0.00021   0.00100   0.00339   0.00406   1.45035
   D162      -3.13386   0.00027   0.00097   0.00026   0.00131  -3.13255
   D163      -0.13303  -0.00019  -0.01300  -0.07772  -0.09051  -0.22353
   D164      -1.62313   0.00020  -0.00084  -0.00628  -0.00696  -1.63009
   D165      -0.18569  -0.00002   0.00084  -0.00198  -0.00111  -0.18680
   D166       1.86697  -0.00023   0.00039  -0.01070  -0.01018   1.85679
   D167      -0.60429  -0.00013   0.00739   0.00906   0.01667  -0.58762
   D168       0.15345  -0.00014   0.00041  -0.00682  -0.00631   0.14714
   D169      -2.31781  -0.00004   0.00742   0.01294   0.02054  -2.29727
   D170      -2.84930   0.00032   0.01430   0.07003   0.08406  -2.76524
   D171       0.96263   0.00042   0.02131   0.08979   0.11091   1.07354
   D172      -1.36899  -0.00014   0.00183  -0.00178  -0.00013  -1.36912
   D173       2.44294  -0.00005   0.00883   0.01798   0.02672   2.46966
   D174      -2.79641   0.00015   0.00042  -0.00604  -0.00571  -2.80212
   D175       1.01552   0.00025   0.00742   0.01372   0.02113   1.03665
   D176       0.78075   0.00005   0.00265   0.05633   0.05906   0.83981
   D177       3.09549  -0.00006  -0.00388  -0.01778  -0.02163   3.07386
   D178       1.35166   0.00023  -0.00624  -0.01935  -0.02555   1.32612
   D179      -1.57686  -0.00041  -0.00299  -0.02286  -0.02624  -1.60310
   D180      -0.13921  -0.00019  -0.00502  -0.02060  -0.02575  -0.16496
   D181       2.03145   0.00008   0.00234   0.02333   0.02516   2.05661
   D182      -0.75257   0.00016   0.00792   0.02823   0.03606  -0.71651
   D183      -2.74359   0.00064   0.00376   0.02916   0.03344  -2.71015
   D184       0.40925   0.00057   0.00204   0.01288   0.01428   0.42353
   D185      -1.21649   0.00011   0.00192   0.01870   0.02082  -1.19567
   D186      -2.52999  -0.00004   0.00445   0.02540   0.03012  -2.49987
   D187       0.08963  -0.00019  -0.00165   0.00506   0.00354   0.09317
   D188       2.15554   0.00005  -0.00697  -0.01204  -0.01936   2.13618
   D189      -0.40505   0.00012   0.00017   0.00194   0.00211  -0.40294
   D190       0.83896   0.00032   0.00458   0.00897   0.01346   0.85242
   D191      -2.32025   0.00033   0.00239   0.00709   0.00941  -2.31084
   D192       0.09400  -0.00009  -0.00134   0.00738   0.00603   0.10003
   D193      -3.09610   0.00004  -0.00073   0.00399   0.00327  -3.09284
   D194      -3.03066  -0.00010   0.00077   0.00920   0.00995  -3.02072
   D195       0.06242   0.00003   0.00138   0.00580   0.00718   0.06960
   D196      -1.12231  -0.00002   0.00160  -0.00315  -0.00157  -1.12388
   D197       0.92398  -0.00006   0.00135  -0.00392  -0.00260   0.92138
   D198       3.04855   0.00003   0.00174  -0.00186  -0.00013   3.04842
   D199       2.00268  -0.00002  -0.00050  -0.00495  -0.00543   1.99725
   D200      -2.23422  -0.00005  -0.00076  -0.00572  -0.00646  -2.24068
   D201      -0.10965   0.00003  -0.00036  -0.00365  -0.00399  -0.11364
   D202      -1.40228   0.00000   0.00142  -0.00631  -0.00485  -1.40713
   D203       0.62285   0.00005   0.00114  -0.00521  -0.00405   0.61880
   D204       2.69946   0.00009   0.00092  -0.00584  -0.00490   2.69456
   D205       1.78778  -0.00013   0.00081  -0.00291  -0.00208   1.78570
   D206      -2.47028  -0.00008   0.00053  -0.00180  -0.00128  -2.47156
   D207      -0.39367  -0.00004   0.00031  -0.00244  -0.00213  -0.39580
   D208       0.66545   0.00005   0.00045   0.00012   0.00057   0.66602
   D209      -2.54990   0.00032   0.00487   0.00189   0.00673  -2.54317
   D210      -1.40733  -0.00015   0.00064  -0.00218  -0.00151  -1.40884
   D211       1.66050   0.00012   0.00506  -0.00041   0.00465   1.66515
   D212       2.81754   0.00002   0.00060   0.00130   0.00191   2.81945
   D213      -0.39781   0.00029   0.00502   0.00307   0.00807  -0.38974
   D214       1.00866   0.00016  -0.00064  -0.00405  -0.00480   1.00386
   D215      -2.05376  -0.00008  -0.00528  -0.00588  -0.01125  -2.06501
   D216      -0.02899   0.00017   0.00877   0.00572   0.01450  -0.01449
   D217      -2.92066  -0.00007   0.00176  -0.00191  -0.00013  -2.92078
   D218       3.03613   0.00042   0.01320   0.00780   0.02099   3.05713
   D219       0.14447   0.00018   0.00619   0.00018   0.00637   0.15083
   D220      -2.33949  -0.00004   0.00714  -0.03286  -0.02572  -2.36520
   D221      -0.24910  -0.00001   0.00848  -0.03195  -0.02348  -0.27258
   D222       1.81913   0.00036   0.00917  -0.02693  -0.01776   1.80137
   D223       1.04868  -0.00031   0.00021  -0.04061  -0.04039   1.00829
   D224       3.13907  -0.00028   0.00155  -0.03970  -0.03815   3.10091
   D225      -1.07588   0.00009   0.00224  -0.03467  -0.03243  -1.10832
         Item               Value     Threshold  Converged?
 Maximum Force            0.001237     0.000450     NO 
 RMS     Force            0.000239     0.000300     YES
 Maximum Displacement     0.169440     0.001800     NO 
 RMS     Displacement     0.033035     0.001200     NO 
 Predicted change in Energy=-2.130475D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.949292    2.683122    3.532613
      2          6           0       -3.238539    1.310732    3.643037
      3          6           0       -1.997051    1.200481    2.802573
      4          6           0       -1.642795    0.333685    1.779435
      5          7           0       -0.894921    2.058325    2.948802
      6          6           0        0.064937    1.697199    2.036128
      7          7           0       -0.352286    0.648402    1.312066
      8          6           0       -5.170914    1.011722    0.156662
      9          6           0       -5.895435   -0.059667   -0.687372
     10          6           0       -5.305777   -1.479514   -0.496489
     11          6           0       -3.837615   -1.521214   -0.912669
     12          8           0       -3.475458   -1.110612   -2.062072
     13          8           0       -2.965689   -1.960968    0.000323
     14          6           0       -2.158991    4.231047   -3.050932
     15          6           0       -0.932547    3.755591   -3.857988
     16          6           0       -0.121845    2.703344   -3.146943
     17          6           0       -0.273765    2.056853   -1.929325
     18          7           0        1.027699    2.125799   -3.714090
     19          6           0        1.519542    1.173955   -2.854767
     20          7           0        0.749804    1.109346   -1.760384
     21          6           0        4.822267    3.915183    1.371689
     22          6           0        5.189187    2.565558    2.024800
     23          6           0        4.205896    1.480068    1.680537
     24          6           0        3.260813    1.369091    0.671114
     25          7           0        4.091632    0.283662    2.406872
     26          6           0        3.098288   -0.485267    1.843924
     27          7           0        2.577224    0.151069    0.790388
     28         30           0        0.803666   -0.425605   -0.264534
     29          1           0       -4.860571    2.688408    4.142359
     30          1           0       -4.230552    2.893759    2.496154
     31          1           0       -3.312442    3.503335    3.887421
     32          1           0       -3.925140    0.519828    3.327763
     33          1           0       -2.999912    1.111742    4.697209
     34          1           0       -2.222125   -0.471984    1.350958
     35          1           0       -0.828760    2.827133    3.602808
     36          1           0        1.014762    2.196612    1.937550
     37          1           0       -4.111257    1.077278   -0.121301
     38          1           0       -5.230317    0.772481    1.227472
     39          1           0       -5.624295    2.000595    0.006091
     40          1           0       -6.962797   -0.079891   -0.425462
     41          1           0       -5.823631    0.203659   -1.750186
     42          1           0       -5.392217   -1.807055    0.545567
     43          1           0       -5.865459   -2.186006   -1.125314
     44          1           0       -2.841748    3.398116   -2.845435
     45          1           0       -2.712762    4.988099   -3.616969
     46          1           0       -1.858923    4.677123   -2.094630
     47          1           0       -1.276886    3.352693   -4.822439
     48          1           0       -0.292617    4.619562   -4.093059
     49          1           0       -1.045834    2.184110   -1.189317
     50          1           0        1.413534    2.357109   -4.620798
     51          1           0        2.370520    0.542695   -3.049829
     52          1           0        4.810911    3.836710    0.277612
     53          1           0        3.836081    4.262726    1.701727
     54          1           0        5.559333    4.679978    1.640359
     55          1           0        5.235991    2.689438    3.116802
     56          1           0        6.198964    2.269895    1.703078
     57          1           0        3.019341    2.071514   -0.109307
     58          1           0        4.642015    0.034092    3.218921
     59          1           0        2.769964   -1.445297    2.206971
     60          8           0       -0.839408   -1.346518   -1.042110
     61          1           0       -1.213791   -1.054515   -1.901323
     62          1           0       -1.737736   -1.696194   -0.497222
     63          6           0        2.838778   -2.662164   -1.583152
     64          8           0        2.198636   -1.570397   -1.671804
     65          7           0        2.256202   -3.821063   -1.160990
     66          6           0        0.822772   -3.954222   -0.886460
     67          6           0        0.408155   -3.419321    0.491494
     68          8           0        0.948033   -2.362406    0.960244
     69          7           0       -0.593580   -4.080017    1.109603
     70          1           0        0.259613   -3.337681   -1.599133
     71          1           0        0.536573   -5.003101   -1.015829
     72          1           0        2.838054   -4.645480   -1.073568
     73          1           0       -1.015218   -4.869173    0.630576
     74          6           0       -1.306033   -3.568739    2.295127
     75          1           0       -1.424842   -4.369121    3.032794
     76          1           0       -0.720705   -2.755146    2.727625
     77          1           0       -2.284093   -3.183644    1.985444
     78          6           0        4.303818   -2.737973   -1.976216
     79          1           0        4.396086   -2.535841   -3.049551
     80          1           0        4.859498   -1.958457   -1.444991
     81          1           0        4.758984   -3.710711   -1.765017
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0962985      0.0725996      0.0663672
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.6416215446 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33688 LenP2D=  122142.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999976   -0.003583   -0.000730   -0.005905 Ang=  -0.80 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97526062     A.U. after   11 cycles
            NFock= 11  Conv=0.49D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33688 LenP2D=  122142.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000171765   -0.000490815   -0.000186281
      3        6          -0.000058273   -0.000046248   -0.000063966
      4        6          -0.000929004    0.000081311    0.000034504
      5        7           0.000842222   -0.000371896    0.000157879
      6        6          -0.001171820    0.000138263   -0.000458957
      7        7           0.000889273   -0.000310202   -0.000668319
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000052581   -0.000295153   -0.000341931
     10        6          -0.000055187   -0.000166726   -0.000094382
     11        6           0.000496307    0.000672198   -0.000300876
     12        8          -0.000453136   -0.000628585   -0.000391523
     13        8          -0.000952465    0.000013595    0.000228370
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000097391    0.000092628   -0.000078785
     16        6           0.000325168    0.000572030   -0.000011121
     17        6           0.000053325   -0.000298372    0.000184529
     18        7          -0.000073920   -0.000304591   -0.000115703
     19        6           0.000471323    0.000208024   -0.000442358
     20        7          -0.000710802   -0.000679231    0.000094911
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000054620   -0.000192540   -0.000162318
     23        6          -0.001084405    0.000319346   -0.000566995
     24        6           0.000850232    0.000004504    0.000718304
     25        7           0.000328285    0.000098936    0.000453500
     26        6          -0.000290024    0.000136615   -0.000106207
     27        7          -0.000601893   -0.000702561   -0.001762849
     28       30           0.003001873    0.001469928    0.003132484
     29        1          -0.000055889   -0.000084716   -0.000035763
     30        1           0.000369552   -0.000304402   -0.000674548
     31        1          -0.000286504   -0.000750681    0.000497565
     32        1           0.000378180    0.000798153   -0.000458424
     33        1          -0.000498532    0.000335671    0.000806932
     34        1           0.000016452   -0.000243567    0.000081675
     35        1           0.000118872    0.000125902    0.000146412
     36        1          -0.000055734    0.000202246   -0.000022451
     37        1           0.000131162    0.000027388    0.000064914
     38        1          -0.000014338    0.000104033    0.000217561
     39        1           0.000123958   -0.000071240   -0.000030012
     40        1           0.000053990   -0.000113621    0.000161200
     41        1          -0.000056431    0.000151267    0.000041151
     42        1           0.000108514    0.000061323    0.000142915
     43        1          -0.000179538    0.000044167    0.000016509
     44        1           0.000005705    0.000055094    0.000057764
     45        1          -0.000035083   -0.000076312   -0.000023941
     46        1          -0.000069477   -0.000039871    0.000059804
     47        1          -0.000069513   -0.000012189   -0.000078703
     48        1          -0.000064818   -0.000111026    0.000210026
     49        1           0.000007557   -0.000008446   -0.000125224
     50        1           0.000007530   -0.000094122   -0.000016568
     51        1          -0.000028795   -0.000077809   -0.000028523
     52        1          -0.000003247   -0.000001404    0.000075117
     53        1           0.000126232    0.000049638    0.000113965
     54        1           0.000033615   -0.000035683    0.000020593
     55        1           0.000062387    0.000021538    0.000011558
     56        1          -0.000005292   -0.000112484    0.000119403
     57        1          -0.000102711   -0.000019990   -0.000044506
     58        1           0.000077004    0.000012714    0.000093006
     59        1          -0.000062182    0.000006226   -0.000014062
     60        8          -0.000985462    0.000186143   -0.001221921
     61        1           0.000626835   -0.000020499    0.000208577
     62        1           0.000120614   -0.000016284    0.000607647
     63        6          -0.000939178   -0.001543483   -0.000331772
     64        8          -0.000020269    0.000136518   -0.000323942
     65        7          -0.000098023    0.001007269   -0.000408707
     66        6           0.000477217   -0.000520778   -0.000128001
     67        6          -0.000261536    0.000038722    0.000176355
     68        8          -0.000057053    0.001014474    0.000070060
     69        7           0.000097462   -0.000523419   -0.000244147
     70        1          -0.000106350   -0.000099499    0.000029624
     71        1           0.000129787    0.000055217   -0.000011819
     72        1          -0.000047568    0.000128412    0.000116559
     73        1          -0.000285724    0.000189517    0.000003734
     74        6           0.000362937    0.000096302    0.000199745
     75        1          -0.000197176    0.000048322    0.000170808
     76        1          -0.000088694    0.000136825    0.000059577
     77        1           0.000218432   -0.000239100   -0.000020925
     78        6           0.000187468    0.000055865    0.000563951
     79        1          -0.000020204   -0.000028594   -0.000173311
     80        1           0.000070275    0.000029653   -0.000004973
     81        1          -0.000049092    0.000097769    0.000014234
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.003132484 RMS     0.000468701

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000995028 RMS     0.000208243
 Search for a local minimum.
 Step number  28 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   27   28
 DE= -2.12D-04 DEPred=-2.13D-04 R= 9.93D-01
 TightC=F SS=  1.41D+00  RLast= 3.03D-01 DXNew= 5.0454D+00 9.0936D-01
 Trust test= 9.93D-01 RLast= 3.03D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00096   0.00172   0.00199   0.00230   0.00231
     Eigenvalues ---    0.00232   0.00238   0.00374   0.00485   0.00528
     Eigenvalues ---    0.00547   0.00629   0.00640   0.00704   0.00749
     Eigenvalues ---    0.00769   0.00806   0.00846   0.00964   0.00978
     Eigenvalues ---    0.01156   0.01233   0.01292   0.01360   0.01421
     Eigenvalues ---    0.01531   0.01595   0.01696   0.01716   0.01757
     Eigenvalues ---    0.01795   0.01858   0.01875   0.01909   0.01940
     Eigenvalues ---    0.01972   0.02017   0.02077   0.02163   0.02246
     Eigenvalues ---    0.02272   0.02296   0.02416   0.02513   0.02614
     Eigenvalues ---    0.02748   0.03256   0.03542   0.03764   0.03962
     Eigenvalues ---    0.03994   0.04141   0.04249   0.04389   0.04542
     Eigenvalues ---    0.04646   0.04833   0.05047   0.05319   0.05351
     Eigenvalues ---    0.05372   0.05385   0.05413   0.05429   0.05487
     Eigenvalues ---    0.05510   0.05512   0.05524   0.05539   0.05562
     Eigenvalues ---    0.05914   0.06092   0.06887   0.06946   0.07094
     Eigenvalues ---    0.07482   0.07630   0.07695   0.07743   0.08308
     Eigenvalues ---    0.08656   0.09125   0.09328   0.09443   0.09492
     Eigenvalues ---    0.09701   0.10029   0.10463   0.10674   0.11079
     Eigenvalues ---    0.11833   0.12216   0.12468   0.12924   0.12949
     Eigenvalues ---    0.13054   0.13349   0.14507   0.14712   0.15402
     Eigenvalues ---    0.15692   0.15755   0.15872   0.15957   0.15971
     Eigenvalues ---    0.15985   0.15990   0.15991   0.15994   0.15995
     Eigenvalues ---    0.15998   0.15999   0.15999   0.16000   0.16002
     Eigenvalues ---    0.16003   0.16005   0.16008   0.16009   0.16021
     Eigenvalues ---    0.16034   0.16041   0.16059   0.16087   0.16098
     Eigenvalues ---    0.16139   0.16233   0.16267   0.16358   0.16568
     Eigenvalues ---    0.18057   0.18428   0.20559   0.20853   0.21188
     Eigenvalues ---    0.21584   0.22143   0.22303   0.22484   0.22779
     Eigenvalues ---    0.22847   0.23002   0.23110   0.23599   0.23776
     Eigenvalues ---    0.24051   0.24174   0.24481   0.24900   0.25138
     Eigenvalues ---    0.25338   0.25759   0.27245   0.27673   0.27877
     Eigenvalues ---    0.28165   0.28260   0.28531   0.29173   0.30205
     Eigenvalues ---    0.30738   0.30942   0.31515   0.31670   0.31937
     Eigenvalues ---    0.33558   0.33616   0.33628   0.33663   0.33670
     Eigenvalues ---    0.33774   0.33803   0.33841   0.33867   0.33916
     Eigenvalues ---    0.33931   0.33943   0.33984   0.33992   0.34002
     Eigenvalues ---    0.34028   0.34039   0.34074   0.34088   0.34090
     Eigenvalues ---    0.34131   0.34172   0.34178   0.34192   0.34204
     Eigenvalues ---    0.34281   0.34302   0.34398   0.34630   0.35382
     Eigenvalues ---    0.35596   0.35765   0.36140   0.36234   0.36340
     Eigenvalues ---    0.36518   0.36529   0.37975   0.39148   0.39470
     Eigenvalues ---    0.39787   0.42320   0.42609   0.42767   0.43847
     Eigenvalues ---    0.45287   0.45390   0.45434   0.45499   0.45583
     Eigenvalues ---    0.45600   0.45644   0.46305   0.48889   0.49257
     Eigenvalues ---    0.49644   0.49779   0.49941   0.52269   0.54549
     Eigenvalues ---    0.54887   0.55086   0.57021   0.66710   0.73089
     Eigenvalues ---    0.766321000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    28   27   26   25   24
 RFO step:  Lambda=-5.37470072D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.20443   -0.19946   -0.14909   -0.00601    0.15014
 Iteration  1 RMS(Cart)=  0.02561327 RMS(Int)=  0.00028626
 Iteration  2 RMS(Cart)=  0.00033846 RMS(Int)=  0.00023351
 New curvilinear step failed, DQL= 1.71D-05 SP=-3.70D-03.
 ITry= 1 IFail=1 DXMaxC= 1.42D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02343167 RMS(Int)=  0.00027520
 Iteration  2 RMS(Cart)=  0.00028747 RMS(Int)=  0.00023523
 New curvilinear step failed, DQL= 2.03D-05 SP=-3.53D-03.
 ITry= 2 IFail=1 DXMaxC= 1.29D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.02126739 RMS(Int)=  0.00026646
 Iteration  2 RMS(Cart)=  0.00024381 RMS(Int)=  0.00023659
 New curvilinear step failed, DQL= 2.39D-05 SP=-3.14D-03.
 ITry= 3 IFail=1 DXMaxC= 1.17D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01912833 RMS(Int)=  0.00025953
 Iteration  2 RMS(Cart)=  0.00020866 RMS(Int)=  0.00023754
 New curvilinear step failed, DQL= 2.80D-05 SP=-2.70D-03.
 ITry= 4 IFail=1 DXMaxC= 1.04D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01702363 RMS(Int)=  0.00025389
 Iteration  2 RMS(Cart)=  0.00017638 RMS(Int)=  0.00023804
 New curvilinear step failed, DQL= 3.23D-05 SP=-2.22D-03.
 ITry= 5 IFail=1 DXMaxC= 9.19D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01496655 RMS(Int)=  0.00024916
 Iteration  2 RMS(Cart)=  0.00014477 RMS(Int)=  0.00023807
 New curvilinear step failed, DQL= 3.49D-05 SP=-1.79D-03.
 ITry= 6 IFail=1 DXMaxC= 7.96D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01297808 RMS(Int)=  0.00024504
 Iteration  2 RMS(Cart)=  0.00010982 RMS(Int)=  0.00023761
 New curvilinear step failed, DQL= 3.21D-05 SP=-1.71D-03.
 ITry= 7 IFail=1 DXMaxC= 6.73D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01109278 RMS(Int)=  0.00024124
 Iteration  2 RMS(Cart)=  0.00008450 RMS(Int)=  0.00023663
 New curvilinear step failed, DQL= 3.20D-05 SP=-1.29D-03.
 ITry= 8 IFail=1 DXMaxC= 5.49D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.00937272 RMS(Int)=  0.00023775
 Iteration  2 RMS(Cart)=  0.00005963 RMS(Int)=  0.00023512
 New curvilinear step failed, DQL= 2.36D-05 SP=-1.09D-03.
 ITry= 9 IFail=1 DXMaxC= 4.27D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.00792582 RMS(Int)=  0.00023463
 Iteration  2 RMS(Cart)=  0.00004423 RMS(Int)=  0.00023308
 New curvilinear step failed, DQL= 2.92D-06 SP=-3.37D-03.
 ITry=10 IFail=1 DXMaxC= 3.61D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00512241 RMS(Int)=  0.00949440 XScale=  5.00041082
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00512230 RMS(Int)=  0.00712204 XScale=  2.50014246
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00512196 RMS(Int)=  0.00475114 XScale=  1.66682737
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00512144 RMS(Int)=  0.00238491 XScale=  1.25021859
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00512111 RMS(Int)=  0.00023307 XScale=  1.00021338
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00010995 RMS(Int)=  0.00022535 XScale=  1.00006654
 RedQX1 iteration     2 Try  1 RMS(Cart)=  0.00000058 RMS(Int)=  0.00022535 XScale=  1.00008831
 RedQX1 iteration     1 Try  1 RMS(Cart)=  0.00002471 RMS(Int)=  0.00002478 XScale=  5.18972381
 RedQX1 iteration     1 Try  2 RMS(Cart)=  0.00002472 RMS(Int)=  0.00001935 XScale=  2.59489166
 RedQX1 iteration     1 Try  3 RMS(Cart)=  0.00002474 RMS(Int)=  0.00001425 XScale=  1.72994230
 RedQX1 iteration     1 Try  4 RMS(Cart)=  0.00002477 RMS(Int)=  0.00001001 XScale=  1.29745867
 RedQX1 iteration     1 Try  5 RMS(Cart)=  0.00002483 RMS(Int)=  0.00000812 XScale=  1.03794570
 RedQX1 iteration     1 Try  6 RMS(Cart)=  0.00000021 RMS(Int)=  0.00000812 XScale=  1.03791655
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48447  -0.00046   0.00000   0.00000   0.00002   8.48449
    Y1       -0.92761  -0.00058   0.00000   0.00000  -0.00001  -0.92762
    Z1        7.47499  -0.00026   0.00000   0.00000   0.00000   7.47498
    X8       10.19808   0.00011   0.00000   0.00000  -0.00001  10.19807
    Y8        1.20620   0.00004   0.00000   0.00000   0.00002   1.20622
    Z8        0.50969  -0.00004   0.00000   0.00000   0.00000   0.50969
   X14        7.21038   0.00006   0.00000   0.00000   0.00001   7.21039
   Y14       -7.64139  -0.00017   0.00000   0.00000  -0.00001  -7.64140
   Z14       -3.84249   0.00016   0.00000   0.00000   0.00001  -3.84248
   X21       -6.13876   0.00016   0.00000   0.00000  -0.00001  -6.13877
   Y21       -9.38867   0.00009   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00014   0.00000   0.00000   0.00000   4.09468
    R1        2.92805   0.00074   0.00000   0.00156   0.00176   2.92981
    R2        2.07203  -0.00009  -0.00004  -0.00066  -0.00069   2.07133
    R3        2.06813   0.00082   0.00026   0.00125   0.00151   2.06964
    R4        2.07372   0.00094  -0.00007   0.00116   0.00108   2.07481
    R5        2.84077   0.00029  -0.00037   0.00006   0.00022   2.84100
    R6        2.06694   0.00100  -0.00005   0.00112   0.00107   2.06801
    R7        2.07682   0.00099  -0.00010   0.00115   0.00105   2.07788
    R8        2.62097   0.00021   0.00026   0.00022   0.00063   2.62159
    R9        2.65368  -0.00007  -0.00048  -0.00012  -0.00044   2.65324
   R10        2.66102  -0.00051  -0.00069  -0.00075  -0.00125   2.65977
   R11        2.04258  -0.00023   0.00024  -0.00031  -0.00007   2.04251
   R12        2.59431   0.00076  -0.00009   0.00086   0.00109   2.59540
   R13        1.91149   0.00006  -0.00001   0.00006   0.00005   1.91154
   R14        2.53415  -0.00015  -0.00010  -0.00012  -0.00017   2.53398
   R15        2.03644  -0.00011  -0.00004  -0.00027  -0.00031   2.03612
   R16        4.21514  -0.00052  -0.00615  -0.02063  -0.02630   4.18884
   R17        2.91851   0.00016  -0.00052  -0.00013  -0.00075   2.91775
   R18        2.07391  -0.00014  -0.00007  -0.00039  -0.00046   2.07346
   R19        2.07646   0.00024  -0.00018   0.00035   0.00017   2.07664
   R20        2.07534   0.00013   0.00058   0.00085   0.00143   2.07677
   R21        2.92761   0.00031  -0.00020   0.00095   0.00066   2.92827
   R22        2.07721   0.00004   0.00011   0.00006   0.00017   2.07738
   R23        2.07360  -0.00011   0.00005  -0.00033  -0.00028   2.07332
   R24        2.88482   0.00000   0.00042   0.00064   0.00092   2.88574
   R25        2.07064   0.00014   0.00019   0.00026   0.00046   2.07110
   R26        2.07680  -0.00004  -0.00006  -0.00020  -0.00026   2.07655
   R27        2.40588   0.00057   0.00056   0.00064   0.00116   2.40704
   R28        2.52630   0.00076   0.00009   0.00006   0.00029   2.52659
   R29        4.28602  -0.00054  -0.00902  -0.00206  -0.01123   4.27479
   R30        2.55325  -0.00037  -0.00257   0.00673   0.00416   2.55740
   R31        2.91628  -0.00016   0.00072  -0.00040   0.00027   2.91656
   R32        2.07195   0.00005  -0.00001   0.00040   0.00039   2.07234
   R33        2.07025   0.00003  -0.00002  -0.00013  -0.00015   2.07011
   R34        2.07314   0.00008  -0.00014  -0.00013  -0.00027   2.07287
   R35        2.84719  -0.00034   0.00032  -0.00095  -0.00063   2.84656
   R36        2.07961   0.00005   0.00005   0.00023   0.00027   2.07989
   R37        2.07974   0.00012  -0.00011   0.00040   0.00029   2.08003
   R38        2.62095  -0.00018   0.00041  -0.00041   0.00007   2.62102
   R39        2.65684  -0.00008  -0.00059  -0.00054  -0.00117   2.65567
   R40        2.65505   0.00007  -0.00013  -0.00013  -0.00022   2.65483
   R41        2.03521  -0.00008   0.00009  -0.00024  -0.00016   2.03505
   R42        2.59544  -0.00001   0.00024   0.00027   0.00045   2.59589
   R43        1.91273   0.00006  -0.00001   0.00009   0.00008   1.91280
   R44        2.53135   0.00029  -0.00013   0.00055   0.00042   2.53177
   R45        2.03591   0.00002  -0.00013  -0.00010  -0.00022   2.03569
   R46        4.05149   0.00062   0.00117   0.00442   0.00563   4.05711
   R47        2.91696   0.00005  -0.00028  -0.00014  -0.00040   2.91656
   R48        2.07293  -0.00007   0.00004  -0.00028  -0.00024   2.07268
   R49        2.07205   0.00016   0.00023   0.00077   0.00099   2.07304
   R50        2.07040   0.00002   0.00002  -0.00014  -0.00013   2.07028
   R51        2.84318   0.00027   0.00001   0.00046   0.00060   2.84379
   R52        2.07870   0.00001   0.00006  -0.00001   0.00004   2.07875
   R53        2.07919  -0.00002  -0.00015  -0.00007  -0.00022   2.07897
   R54        2.62150   0.00027  -0.00023   0.00056   0.00036   2.62186
   R55        2.65371   0.00009   0.00014   0.00021   0.00037   2.65408
   R56        2.64905   0.00002  -0.00051   0.00002  -0.00038   2.64867
   R57        2.03597  -0.00001  -0.00008   0.00017   0.00009   2.03606
   R58        2.60131   0.00008   0.00026   0.00014   0.00044   2.60175
   R59        1.91286   0.00002  -0.00002   0.00000  -0.00002   1.91283
   R60        2.52572   0.00033   0.00000   0.00029   0.00029   2.52601
   R61        2.03640   0.00001   0.00000  -0.00006  -0.00006   2.03634
   R62        4.04901   0.00013   0.00064   0.00324   0.00402   4.05303
   R63        3.85078  -0.00046  -0.00042   0.00399   0.00359   3.85437
   R64        4.32450   0.00054  -0.00047   0.02439   0.02370   4.34820
   R65        4.33902   0.00043   0.01220  -0.01434  -0.00232   4.33670
   R66        1.85509  -0.00003  -0.00007  -0.00054  -0.00067   1.85441
   R67        2.09254  -0.00005   0.00242  -0.00301  -0.00062   2.09192
   R68        2.39749   0.00007   0.00011  -0.00018  -0.00009   2.39741
   R69        2.57770   0.00090  -0.00046   0.00177   0.00157   2.57927
   R70        2.87001  -0.00033  -0.00016  -0.00062  -0.00079   2.86923
   R71        2.76948   0.00026  -0.00058   0.00001  -0.00027   2.76921
   R72        1.91400   0.00010   0.00001   0.00006   0.00007   1.91408
   R73        2.90107   0.00031   0.00038   0.00035   0.00093   2.90201
   R74        2.07455  -0.00004   0.00004  -0.00010  -0.00006   2.07449
   R75        2.06905   0.00005   0.00009   0.00034   0.00043   2.06948
   R76        2.41135  -0.00045   0.00077   0.00042   0.00105   2.41240
   R77        2.55082  -0.00012  -0.00038  -0.00078  -0.00116   2.54965
   R78        1.91788   0.00008  -0.00006  -0.00003  -0.00008   1.91779
   R79        2.78660   0.00050  -0.00045   0.00022  -0.00023   2.78637
   R80        2.06912   0.00016   0.00022   0.00041   0.00063   2.06976
   R81        2.06283  -0.00004  -0.00022  -0.00004  -0.00026   2.06257
   R82        2.07078   0.00024   0.00009   0.00085   0.00094   2.07172
   R83        2.07132   0.00017   0.00016   0.00040   0.00055   2.07187
   R84        2.06890  -0.00004  -0.00013  -0.00023  -0.00036   2.06854
   R85        2.06837   0.00010  -0.00001   0.00012   0.00012   2.06848
    A1        1.92397   0.00004   0.00024   0.00038   0.00062   1.92459
    A2        1.93462   0.00011  -0.00006  -0.00017  -0.00024   1.93439
    A3        1.95279   0.00001   0.00055   0.00045   0.00100   1.95379
    A4        1.88824  -0.00006  -0.00050  -0.00024  -0.00074   1.88749
    A5        1.87436  -0.00005  -0.00047  -0.00060  -0.00106   1.87329
    A6        1.88756  -0.00005   0.00019   0.00015   0.00034   1.88790
    A7        1.98662  -0.00008  -0.00099  -0.00060  -0.00059   1.98603
    A8        1.90919   0.00004  -0.00013   0.00035  -0.00003   1.90916
    A9        1.90533   0.00013   0.00043   0.00061   0.00072   1.90606
   A10        1.87993   0.00004  -0.00021  -0.00051  -0.00103   1.87890
   A11        1.92163  -0.00012   0.00097  -0.00022   0.00044   1.92207
   A12        1.85653  -0.00001  -0.00001   0.00042   0.00053   1.85705
   A13        2.30394   0.00021  -0.00017  -0.00069  -0.00104   2.30290
   A14        2.14736  -0.00017   0.00010   0.00023   0.00072   2.14808
   A15        1.83188  -0.00004   0.00008   0.00046   0.00031   1.83220
   A16        1.91691   0.00016  -0.00038  -0.00064  -0.00080   1.91610
   A17        2.24128  -0.00010   0.00024  -0.00111  -0.00099   2.24029
   A18        2.12494  -0.00006   0.00020   0.00175   0.00182   2.12677
   A19        1.89528  -0.00015   0.00019  -0.00013   0.00016   1.89544
   A20        2.19317  -0.00012   0.00025  -0.00025  -0.00005   2.19312
   A21        2.19449   0.00027  -0.00043   0.00053   0.00005   2.19454
   A22        1.92533  -0.00013  -0.00046  -0.00076  -0.00124   1.92408
   A23        2.15935   0.00017   0.00041   0.00103   0.00143   2.16078
   A24        2.19849  -0.00004   0.00006  -0.00023  -0.00017   2.19832
   A25        1.85534   0.00017   0.00055   0.00112   0.00156   1.85690
   A26        2.21670   0.00047  -0.00109  -0.00125  -0.00259   2.21411
   A27        2.21052  -0.00064   0.00038  -0.00037   0.00071   2.21123
   A28        1.93476   0.00008   0.00131   0.00113   0.00244   1.93720
   A29        1.93497   0.00001  -0.00047   0.00025  -0.00022   1.93474
   A30        1.93483  -0.00011  -0.00066  -0.00076  -0.00142   1.93341
   A31        1.88812  -0.00002   0.00132   0.00038   0.00170   1.88982
   A32        1.88609   0.00000  -0.00072  -0.00037  -0.00109   1.88500
   A33        1.88319   0.00003  -0.00078  -0.00067  -0.00146   1.88173
   A34        1.97131   0.00020   0.00034   0.00103   0.00125   1.97256
   A35        1.91567  -0.00029  -0.00052  -0.00212  -0.00254   1.91313
   A36        1.90939   0.00013   0.00027   0.00123   0.00148   1.91086
   A37        1.90008   0.00008  -0.00005   0.00060   0.00058   1.90066
   A38        1.89059  -0.00017  -0.00060  -0.00105  -0.00161   1.88898
   A39        1.87417   0.00005   0.00057   0.00029   0.00084   1.87501
   A40        1.93638   0.00010  -0.00140   0.00004  -0.00178   1.93460
   A41        1.94025  -0.00015   0.00067   0.00037   0.00123   1.94149
   A42        1.90163   0.00014  -0.00019   0.00012  -0.00005   1.90158
   A43        1.90389   0.00014   0.00088   0.00190   0.00284   1.90673
   A44        1.89255  -0.00023   0.00026  -0.00212  -0.00167   1.89088
   A45        1.88790  -0.00001  -0.00019  -0.00039  -0.00064   1.88726
   A46        2.10702  -0.00022  -0.00148  -0.00190  -0.00368   2.10334
   A47        2.03763   0.00027   0.00111   0.00159   0.00278   2.04042
   A48        2.13782  -0.00005   0.00041   0.00005   0.00066   2.13848
   A49        1.80046  -0.00007  -0.00015   0.00253   0.00243   1.80288
   A50        1.85127  -0.00019  -0.00153  -0.00275  -0.00425   1.84702
   A51        1.93783   0.00008  -0.00030   0.00001  -0.00028   1.93755
   A52        1.92241  -0.00008  -0.00023  -0.00074  -0.00097   1.92145
   A53        1.94310  -0.00009   0.00025  -0.00007   0.00018   1.94329
   A54        1.88287   0.00005   0.00081   0.00066   0.00147   1.88434
   A55        1.89214   0.00000  -0.00023   0.00005  -0.00018   1.89196
   A56        1.88353   0.00005  -0.00029   0.00012  -0.00017   1.88336
   A57        1.97794  -0.00014   0.00111  -0.00031   0.00085   1.97878
   A58        1.89911   0.00008  -0.00004   0.00083   0.00080   1.89991
   A59        1.90916   0.00001  -0.00040  -0.00054  -0.00098   1.90817
   A60        1.90315   0.00003  -0.00075  -0.00062  -0.00138   1.90177
   A61        1.91367  -0.00001   0.00053   0.00006   0.00057   1.91424
   A62        1.85684   0.00003  -0.00056   0.00066   0.00011   1.85694
   A63        2.31981   0.00008   0.00086   0.00009   0.00106   2.32086
   A64        2.13704  -0.00031  -0.00067  -0.00055  -0.00132   2.13572
   A65        1.82577   0.00023  -0.00026   0.00049   0.00024   1.82601
   A66        1.91783  -0.00001   0.00000   0.00011   0.00008   1.91791
   A67        2.24807  -0.00005   0.00024  -0.00063  -0.00038   2.24769
   A68        2.11686   0.00006  -0.00026   0.00039   0.00014   2.11700
   A69        1.90192  -0.00017   0.00045  -0.00043   0.00002   1.90193
   A70        2.18850   0.00004  -0.00026   0.00016  -0.00010   2.18839
   A71        2.19241   0.00013  -0.00015   0.00016   0.00001   2.19241
   A72        1.91645   0.00011  -0.00037   0.00021  -0.00012   1.91633
   A73        2.18420  -0.00012   0.00032   0.00004   0.00033   2.18452
   A74        2.18163   0.00002   0.00009   0.00000   0.00006   2.18169
   A75        1.86280  -0.00016   0.00018  -0.00043  -0.00028   1.86251
   A76        2.19570  -0.00024  -0.00058  -0.00241  -0.00276   2.19294
   A77        2.20200   0.00037   0.00011   0.00103   0.00089   2.20289
   A78        1.94112   0.00004   0.00020   0.00052   0.00072   1.94184
   A79        1.94290  -0.00010  -0.00016  -0.00043  -0.00059   1.94231
   A80        1.92481   0.00006   0.00078   0.00054   0.00132   1.92613
   A81        1.88975   0.00004  -0.00018  -0.00014  -0.00032   1.88943
   A82        1.87704  -0.00002  -0.00018   0.00003  -0.00015   1.87690
   A83        1.88599  -0.00001  -0.00050  -0.00054  -0.00105   1.88495
   A84        1.95913   0.00005  -0.00087   0.00032  -0.00027   1.95886
   A85        1.90888  -0.00005  -0.00027  -0.00049  -0.00072   1.90816
   A86        1.90645  -0.00005   0.00067   0.00020   0.00067   1.90712
   A87        1.91369  -0.00008   0.00002  -0.00102  -0.00109   1.91260
   A88        1.91667   0.00012   0.00068   0.00106   0.00166   1.91833
   A89        1.85614   0.00000  -0.00020  -0.00009  -0.00026   1.85589
   A90        2.30427  -0.00027  -0.00024   0.00024   0.00012   2.30439
   A91        2.15256   0.00025   0.00024  -0.00033  -0.00014   2.15242
   A92        1.82634   0.00002  -0.00004   0.00014   0.00001   1.82635
   A93        1.91752   0.00007   0.00019   0.00005   0.00028   1.91779
   A94        2.24929  -0.00008   0.00002   0.00023   0.00021   2.24950
   A95        2.11627   0.00001  -0.00021  -0.00014  -0.00039   2.11588
   A96        1.89980  -0.00006  -0.00015  -0.00015  -0.00028   1.89952
   A97        2.19045   0.00004  -0.00024  -0.00020  -0.00047   2.18997
   A98        2.19286   0.00002   0.00037   0.00039   0.00073   2.19359
   A99        1.91531   0.00012  -0.00012   0.00030   0.00020   1.91551
   A100       2.18918  -0.00009  -0.00007  -0.00070  -0.00078   2.18840
   A101       2.17844  -0.00003   0.00013   0.00027   0.00038   2.17881
   A102       1.86569  -0.00014   0.00009  -0.00010  -0.00008   1.86561
   A103       2.20882   0.00035   0.00121  -0.00066   0.00072   2.20953
   A104       2.19279  -0.00022  -0.00069   0.00027  -0.00043   2.19235
   A105       1.70662   0.00015   0.00155  -0.00430  -0.00302   1.70360
   A106       1.52215   0.00017   0.00205   0.00819   0.00877   1.53093
   A107       1.64030  -0.00010  -0.00184   0.01002   0.00779   1.64810
   A108       3.01060  -0.00009  -0.00262   0.00127  -0.00069   3.00991
   A109       1.63254   0.00002  -0.00086   0.00742   0.00712   1.63966
   A110       1.74327  -0.00034  -0.00261   0.00044  -0.00202   1.74125
   A111       1.60787   0.00026  -0.00116  -0.00196  -0.00279   1.60507
   A112       1.51518  -0.00011   0.00100  -0.00500  -0.00475   1.51043
   A113       2.92979  -0.00019  -0.00017  -0.00465  -0.00470   2.92509
   A114       2.92638   0.00006   0.00271  -0.00246   0.00054   2.92692
   A115       1.50358  -0.00025  -0.00167  -0.01219  -0.01369   1.48989
   A116       1.48304   0.00041   0.00018   0.00303   0.00301   1.48605
   A117       1.60158   0.00017   0.00155  -0.00395  -0.00091   1.60067
   A118       1.44349  -0.00034   0.00356  -0.00488  -0.00136   1.44213
   A119       1.43813  -0.00004  -0.00185   0.00293   0.00155   1.43969
   A120       2.10258  -0.00007   0.00146  -0.00053   0.00130   2.10387
   A121       2.22569  -0.00023   0.00223  -0.01031  -0.00747   2.21822
   A122       1.78773   0.00024  -0.00111   0.00034  -0.00055   1.78718
   A123       2.02081   0.00009   0.00251  -0.00146   0.00110   2.02191
   A124       2.94325  -0.00003  -0.00082   0.00295   0.00182   2.94506
   A125       2.13796  -0.00071  -0.00130  -0.00326  -0.00463   2.13333
   A126       2.10783   0.00048   0.00018   0.00211   0.00232   2.11015
   A127       2.03720   0.00023   0.00110   0.00120   0.00233   2.03953
   A128       2.33934   0.00034   0.00217  -0.00771  -0.00593   2.33341
   A129       2.15664  -0.00043  -0.00160  -0.00328  -0.00459   2.15205
   A130       2.06337   0.00029   0.00083   0.00211   0.00287   2.06624
   A131       2.06208   0.00014   0.00079   0.00137   0.00209   2.06417
   A132       1.98301   0.00000   0.00055   0.00133   0.00195   1.98496
   A133       1.90616  -0.00002   0.00028  -0.00085  -0.00061   1.90555
   A134       1.89713   0.00004   0.00019   0.00128   0.00149   1.89862
   A135       1.82189   0.00018   0.00065  -0.00138  -0.00066   1.82123
   A136       1.94899  -0.00020  -0.00109  -0.00069  -0.00189   1.94710
   A137       1.90415   0.00001  -0.00060   0.00015  -0.00045   1.90370
   A138       2.09909   0.00028   0.00134  -0.00024   0.00083   2.09992
   A139       2.02740   0.00018  -0.00159   0.00021  -0.00124   2.02616
   A140       2.15458  -0.00048   0.00018   0.00017   0.00048   2.15506
   A141       2.06703  -0.00089  -0.00548   0.00405  -0.00161   2.06542
   A142       2.06323  -0.00006  -0.00022   0.00009  -0.00018   2.06305
   A143       2.16155   0.00000   0.00235   0.00200   0.00430   2.16586
   A144       2.03571   0.00008  -0.00125   0.00029  -0.00101   2.03470
   A145       1.91836   0.00000  -0.00025  -0.00107  -0.00132   1.91704
   A146       1.89429  -0.00004   0.00075   0.00040   0.00115   1.89544
   A147       1.90273   0.00007  -0.00074  -0.00083  -0.00158   1.90115
   A148       1.91354  -0.00015   0.00017  -0.00062  -0.00045   1.91309
   A149       1.92883   0.00015  -0.00186   0.00048  -0.00139   1.92744
   A150       1.90566  -0.00003   0.00201   0.00167   0.00367   1.90933
   A151       1.90226   0.00005  -0.00089  -0.00023  -0.00112   1.90115
   A152       1.90550  -0.00008   0.00035  -0.00024   0.00011   1.90561
   A153       1.97749  -0.00005   0.00015  -0.00012   0.00003   1.97752
   A154       1.87666   0.00004  -0.00001   0.00024   0.00024   1.87690
   A155       1.89424  -0.00001  -0.00003  -0.00011  -0.00014   1.89410
   A156       1.90507   0.00005   0.00041   0.00047   0.00088   1.90595
    D1        3.11093   0.00006  -0.00262  -0.00037  -0.00298   3.10795
    D2        1.00730   0.00003  -0.00158   0.00042  -0.00125   1.00606
    D3       -1.01761  -0.00005  -0.00173  -0.00061  -0.00227  -1.01988
    D4        1.02076   0.00005  -0.00211  -0.00020  -0.00230   1.01846
    D5       -1.08286   0.00002  -0.00107   0.00059  -0.00057  -1.08343
    D6       -3.10778  -0.00006  -0.00122  -0.00044  -0.00160  -3.10937
    D7       -1.08775   0.00003  -0.00269  -0.00058  -0.00325  -1.09100
    D8        3.09181   0.00000  -0.00165   0.00022  -0.00152   3.09029
    D9        1.06690  -0.00008  -0.00180  -0.00082  -0.00255   1.06435
   D10       -2.10793  -0.00004  -0.00116  -0.01373  -0.01502  -2.12295
   D11        1.03147  -0.00002  -0.00405  -0.01455  -0.01856   1.01292
   D12        0.01204  -0.00001  -0.00213  -0.01403  -0.01616  -0.00412
   D13       -3.13174   0.00001  -0.00501  -0.01485  -0.01970   3.13174
   D14        2.02950  -0.00006  -0.00175  -0.01393  -0.01588   2.01362
   D15       -1.11429  -0.00005  -0.00464  -0.01475  -0.01942  -1.13370
   D16       -3.13973  -0.00003   0.00175   0.00100   0.00310  -3.13662
   D17        0.01339   0.00011  -0.00207   0.00137  -0.00064   0.01275
   D18        0.00377  -0.00004   0.00425   0.00171   0.00617   0.00994
   D19       -3.12631   0.00010   0.00043   0.00208   0.00243  -3.12387
   D20       -3.13887  -0.00013   0.00015  -0.00515  -0.00525   3.13906
   D21       -0.02000   0.00006   0.00200   0.00170   0.00358  -0.01643
   D22        0.00104  -0.00012  -0.00206  -0.00578  -0.00798  -0.00694
   D23        3.11990   0.00007  -0.00021   0.00107   0.00085   3.12076
   D24       -0.00724   0.00018  -0.00490   0.00302  -0.00208  -0.00932
   D25        3.09837   0.00008   0.00106  -0.01140  -0.01069   3.08768
   D26        3.12374   0.00006  -0.00138   0.00266   0.00135   3.12509
   D27       -0.05383  -0.00004   0.00458  -0.01176  -0.00726  -0.06109
   D28       -0.00573   0.00024  -0.00096   0.00804   0.00710   0.00136
   D29       -3.14120   0.00011  -0.00204   0.00210   0.00019  -3.14102
   D30       -3.12458   0.00007  -0.00283   0.00120  -0.00174  -3.12632
   D31        0.02313  -0.00006  -0.00391  -0.00474  -0.00865   0.01448
   D32        0.00787  -0.00026   0.00353  -0.00674  -0.00310   0.00477
   D33       -3.09791  -0.00019  -0.00228   0.00763   0.00558  -3.09233
   D34       -3.14001  -0.00013   0.00464  -0.00064   0.00400  -3.13601
   D35        0.03740  -0.00006  -0.00117   0.01374   0.01268   0.05007
   D36        1.94207   0.00018  -0.00162   0.01698   0.01560   1.95767
   D37       -2.60277  -0.00015  -0.00407   0.01860   0.01477  -2.58800
   D38        0.32425  -0.00008  -0.00009   0.01788   0.01759   0.34183
   D39       -2.11702  -0.00005   0.00394  -0.06551  -0.06116  -2.17818
   D40       -1.12302   0.00027  -0.00370   0.02178   0.01804  -1.10498
   D41       -1.24257   0.00008   0.00545  -0.00025   0.00530  -1.23727
   D42        0.49577  -0.00025   0.00299   0.00137   0.00447   0.50024
   D43       -2.86040  -0.00018   0.00697   0.00066   0.00729  -2.85311
   D44        0.98152  -0.00015   0.01100  -0.08274  -0.07146   0.91006
   D45        1.97552   0.00017   0.00336   0.00455   0.00774   1.98326
   D46        1.06046   0.00001  -0.00397  -0.00291  -0.00691   1.05355
   D47       -3.09895   0.00003  -0.00418  -0.00296  -0.00713  -3.10608
   D48       -1.04673   0.00000  -0.00363  -0.00312  -0.00673  -1.05345
   D49       -1.03686  -0.00003  -0.00619  -0.00430  -0.01052  -1.04739
   D50        1.08691   0.00000  -0.00640  -0.00435  -0.01075   1.07617
   D51        3.13913  -0.00003  -0.00585  -0.00452  -0.01034   3.12879
   D52       -3.12804   0.00000  -0.00445  -0.00313  -0.00761  -3.13565
   D53       -1.00426   0.00003  -0.00466  -0.00318  -0.00784  -1.01210
   D54        1.04796   0.00000  -0.00411  -0.00334  -0.00743   1.04052
   D55       -1.05708  -0.00026  -0.00079  -0.01539  -0.01606  -1.07314
   D56        1.06487  -0.00011  -0.00018  -0.01269  -0.01282   1.05205
   D57       -3.13939  -0.00013  -0.00014  -0.01287  -0.01289   3.13091
   D58        3.09356  -0.00008  -0.00032  -0.01381  -0.01407   3.07949
   D59       -1.06768   0.00007   0.00029  -0.01111  -0.01083  -1.07851
   D60        1.01125   0.00006   0.00033  -0.01129  -0.01090   1.00035
   D61        1.06078  -0.00009  -0.00064  -0.01390  -0.01451   1.04627
   D62       -3.10046   0.00006  -0.00004  -0.01120  -0.01127  -3.11173
   D63       -1.02153   0.00004   0.00001  -0.01138  -0.01134  -1.03286
   D64       -0.92810   0.00004  -0.00108   0.00645   0.00552  -0.92258
   D65        2.17380  -0.00011   0.00011  -0.00075  -0.00055   2.17325
   D66       -3.07122   0.00007  -0.00159   0.00467   0.00321  -3.06801
   D67        0.03068  -0.00008  -0.00040  -0.00253  -0.00286   0.02782
   D68        1.15965   0.00013  -0.00200   0.00527   0.00334   1.16299
   D69       -2.02164  -0.00002  -0.00081  -0.00192  -0.00273  -2.02437
   D70        2.95613  -0.00013  -0.00244   0.00114  -0.00140   2.95473
   D71       -0.14344   0.00002  -0.00371   0.00873   0.00498  -0.13846
   D72       -2.96343   0.00010   0.00258   0.00086   0.00348  -2.95995
   D73        0.13771  -0.00005   0.00373  -0.00652  -0.00283   0.13488
   D74        0.01790   0.00006   0.00176  -0.00817  -0.00629   0.01161
   D75        0.27567  -0.00002  -0.00386  -0.00751  -0.01123   0.26444
   D76       -1.05057  -0.00001   0.00094   0.00046   0.00139  -1.04919
   D77        1.06972   0.00000   0.00070   0.00005   0.00076   1.07048
   D78        3.09152   0.00008  -0.00021   0.00100   0.00079   3.09231
   D79       -3.13509  -0.00007   0.00026   0.00010   0.00036  -3.13474
   D80       -1.01479  -0.00006   0.00002  -0.00030  -0.00027  -1.01506
   D81        1.00700   0.00003  -0.00089   0.00065  -0.00024   1.00676
   D82        1.05937  -0.00002   0.00061   0.00048   0.00109   1.06045
   D83       -3.10352  -0.00001   0.00037   0.00008   0.00046  -3.10306
   D84       -1.08173   0.00008  -0.00054   0.00103   0.00049  -1.08124
   D85        0.03003  -0.00010  -0.02038   0.00434  -0.01601   0.01402
   D86        3.12975   0.00001  -0.02288   0.00560  -0.01724   3.11252
   D87       -2.08800  -0.00013  -0.02054   0.00394  -0.01660  -2.10461
   D88        1.01172  -0.00002  -0.02304   0.00519  -0.01783   0.99389
   D89        2.16862  -0.00018  -0.01974   0.00347  -0.01627   2.15235
   D90       -1.01484  -0.00008  -0.02224   0.00472  -0.01750  -1.03234
   D91        3.10143   0.00001  -0.00225  -0.00445  -0.00665   3.09477
   D92       -0.00873   0.00006  -0.00167   0.00047  -0.00120  -0.00993
   D93       -0.00366  -0.00008  -0.00006  -0.00552  -0.00555  -0.00920
   D94       -3.11381  -0.00002   0.00052  -0.00061  -0.00009  -3.11391
   D95       -3.10581   0.00005   0.00085   0.00797   0.00875  -3.09706
   D96        0.00807  -0.00002   0.00234   0.00356   0.00587   0.01394
   D97        0.00410   0.00013  -0.00103   0.00892   0.00785   0.01195
   D98        3.11798   0.00006   0.00046   0.00450   0.00497   3.12295
   D99        0.00189  -0.00001   0.00115   0.00010   0.00121   0.00311
   D100      -2.92299   0.00003   0.00250   0.00840   0.01087  -2.91212
   D101       3.11482  -0.00006   0.00063  -0.00440  -0.00377   3.11105
   D102       0.18994  -0.00002   0.00198   0.00390   0.00589   0.19582
   D103      -0.00312  -0.00015   0.00182  -0.00934  -0.00750  -0.01063
   D104       3.09435  -0.00006   0.00277  -0.00318  -0.00037   3.09398
   D105      -3.11693  -0.00007   0.00032  -0.00491  -0.00461  -3.12154
   D106      -0.01945   0.00002   0.00127   0.00125   0.00252  -0.01693
   D107       0.00078   0.00010  -0.00181   0.00566   0.00386   0.00464
   D108       2.92465  -0.00004  -0.00327  -0.00324  -0.00645   2.91819
   D109      -3.09678   0.00001  -0.00276  -0.00049  -0.00327  -3.10005
   D110      -0.17291  -0.00013  -0.00423  -0.00939  -0.01358  -0.18649
   D111      -0.52212   0.00000   0.01079   0.01538   0.02566  -0.49646
   D112      -2.06691  -0.00015   0.00896   0.00767   0.01746  -2.04945
   D113       1.12396  -0.00006   0.00883   0.02503   0.03301   1.15697
   D114       2.72354   0.00010   0.01050   0.02100   0.03209   2.75563
   D115       2.24815  -0.00010   0.02236  -0.00044   0.02203   2.27018
   D116       2.87738   0.00014   0.01242   0.02556   0.03744   2.91482
   D117       1.33260  -0.00002   0.01058   0.01785   0.02924   1.36184
   D118      -1.75972   0.00007   0.01045   0.03521   0.04479  -1.71493
   D119      -0.16014   0.00023   0.01212   0.03118   0.04387  -0.11627
   D120      -0.63553   0.00003   0.02398   0.00975   0.03381  -0.60172
   D121      -1.05756  -0.00007   0.00002   0.00041   0.00048  -1.05708
   D122       3.09754   0.00003   0.00076   0.00183   0.00254   3.10008
   D123       1.07262   0.00008   0.00078   0.00211   0.00288   1.07550
   D124       1.05145  -0.00007  -0.00018   0.00029   0.00017   1.05162
   D125      -1.07664   0.00003   0.00056   0.00171   0.00223  -1.07441
   D126      -3.10155   0.00008   0.00058   0.00199   0.00257  -3.09899
   D127      -3.13847  -0.00011  -0.00039  -0.00032  -0.00065  -3.13912
   D128       1.01663  -0.00001   0.00035   0.00111   0.00141   1.01803
   D129      -1.00829   0.00005   0.00036   0.00139   0.00174  -1.00654
   D130       0.31665  -0.00007  -0.00329   0.00449   0.00104   0.31769
   D131      -2.83128   0.00020  -0.00217   0.01773   0.01528  -2.81600
   D132       2.44200  -0.00015  -0.00420   0.00336  -0.00082   2.44119
   D133      -0.70593   0.00012  -0.00308   0.01660   0.01343  -0.69250
   D134      -1.80770  -0.00013  -0.00403   0.00327  -0.00080  -1.80850
   D135       1.32755   0.00014  -0.00292   0.01651   0.01344   1.34099
   D136      -3.13201  -0.00002   0.00368  -0.00270   0.00065  -3.13136
   D137      -0.00658   0.00016   0.00426   0.00744   0.01166   0.00507
   D138       0.01506  -0.00025   0.00273  -0.01413  -0.01165   0.00341
   D139       3.14049  -0.00008   0.00331  -0.00399  -0.00064   3.13984
   D140       3.13269   0.00006  -0.00377   0.00429   0.00083   3.13352
   D141       0.00406  -0.00005   0.00160   0.00106   0.00276   0.00681
   D142      -0.01377   0.00026  -0.00289   0.01445   0.01176  -0.00201
   D143       3.14078   0.00015   0.00247   0.01122   0.01369  -3.12871
   D144      -0.01092   0.00015  -0.00158   0.00869   0.00731  -0.00361
   D145       2.94761   0.00007   0.00212   0.00599   0.00840   2.95601
   D146      -3.13779  -0.00001  -0.00211  -0.00055  -0.00271  -3.14050
   D147      -0.17927  -0.00009   0.00159  -0.00325  -0.00162  -0.18088
   D148       0.00760  -0.00018   0.00205  -0.00973  -0.00777  -0.00017
   D149      -3.11068  -0.00013   0.00471  -0.00415   0.00038  -3.11030
   D150       3.13622  -0.00007  -0.00331  -0.00650  -0.00972   3.12650
   D151       0.01793  -0.00002  -0.00065  -0.00092  -0.00157   0.01636
   D152       0.00190   0.00002  -0.00031   0.00073   0.00036   0.00227
   D153      -2.95877   0.00002  -0.00411   0.00352  -0.00087  -2.95964
   D154       3.12036  -0.00003  -0.00295  -0.00482  -0.00775   3.11262
   D155       0.15969  -0.00003  -0.00675  -0.00203  -0.00898   0.15071
   D156      -1.47524   0.00013   0.00082   0.01733   0.01856  -1.45668
   D157       0.22505   0.00032   0.00283   0.01434   0.01702   0.24207
   D158       3.13407  -0.00018   0.00766  -0.06638  -0.05918   3.07489
   D159       1.72751   0.00019   0.00360   0.00703   0.00991   1.73742
   D160      -3.11239   0.00015   0.00188   0.01078   0.01234  -3.10004
   D161       1.45035   0.00007   0.00525   0.01407   0.01992   1.47026
   D162      -3.13255   0.00026   0.00726   0.01108   0.01838  -3.11417
   D163      -0.22353  -0.00025   0.01209  -0.06963  -0.05782  -0.28135
   D164      -1.63009   0.00012   0.00803   0.00378   0.01127  -1.61882
   D165      -0.18680   0.00008   0.00632   0.00752   0.01370  -0.17309
   D166       1.85679  -0.00010   0.00039  -0.01562  -0.01576   1.84103
   D167      -0.58762  -0.00008  -0.00650   0.00352  -0.00347  -0.59108
   D168       0.14714  -0.00026  -0.00098  -0.01163  -0.01287   0.13427
   D169      -2.29727  -0.00024  -0.00788   0.00751  -0.00058  -2.29785
   D170      -2.76524   0.00026  -0.00593   0.06784   0.06225  -2.70298
   D171       1.07354   0.00028  -0.01283   0.08699   0.07454   1.14808
   D172      -1.36912  -0.00016  -0.00202  -0.00643  -0.00801  -1.37713
   D173       2.46966  -0.00014  -0.00892   0.01271   0.00429   2.47394
   D174      -2.80212  -0.00008  -0.00027  -0.00967  -0.00963  -2.81176
   D175       1.03665  -0.00006  -0.00717   0.00947   0.00266   1.03931
   D176       0.83981   0.00015  -0.00842   0.07534   0.06677   0.90658
   D177       3.07386  -0.00005  -0.00287  -0.00657  -0.00927   3.06459
   D178       1.32612   0.00027  -0.00038  -0.00825  -0.00864   1.31748
   D179      -1.60310   0.00019  -0.00396  -0.00847  -0.01215  -1.61526
   D180      -0.16496  -0.00018  -0.00079  -0.01271  -0.01333  -0.17828
   D181       2.05661  -0.00011  -0.00063   0.01378   0.01403   2.07064
   D182      -0.71651  -0.00001  -0.01207   0.02987   0.01796  -0.69855
   D183      -2.71015   0.00008   0.00148   0.02155   0.02243  -2.68773
   D184       0.42353   0.00001   0.00107   0.00485   0.00712   0.43065
   D185      -1.19567  -0.00022  -0.00012   0.00859   0.00807  -1.18760
   D186      -2.49987   0.00011  -0.00597   0.02083   0.01439  -2.48548
   D187       0.09317  -0.00005  -0.00006   0.00197   0.00195   0.09513
   D188       2.13618   0.00000   0.00856  -0.00809   0.00059   2.13677
   D189      -0.40294   0.00008   0.00210   0.00790   0.01004  -0.39290
   D190       0.85242   0.00045   0.00433   0.01216   0.01642   0.86885
   D191      -2.31084   0.00046   0.00303   0.01456   0.01748  -2.29336
   D192       0.10003  -0.00027  -0.00353  -0.00483  -0.00850   0.09152
   D193      -3.09284  -0.00020   0.00142  -0.00006   0.00121  -3.09163
   D194      -3.02072  -0.00028  -0.00228  -0.00716  -0.00953  -3.03024
   D195       0.06960  -0.00020   0.00267  -0.00238   0.00019   0.06979
   D196      -1.12388  -0.00003  -0.00069  -0.00758  -0.00825  -1.13213
   D197       0.92138   0.00000  -0.00100  -0.00755  -0.00853   0.91285
   D198       3.04842  -0.00003  -0.00012  -0.00720  -0.00730   3.04112
   D199       1.99725  -0.00004  -0.00194  -0.00537  -0.00733   1.98992
   D200      -2.24068  -0.00001  -0.00225  -0.00534  -0.00761  -2.24829
   D201      -0.11364  -0.00004  -0.00137  -0.00499  -0.00638  -0.12002
   D202      -1.40713  -0.00027   0.00063  -0.00796  -0.00749  -1.41462
   D203       0.61880  -0.00006   0.00196  -0.00944  -0.00754   0.61126
   D204       2.69456  -0.00004   0.00151  -0.00900  -0.00757   2.68699
   D205       1.78570  -0.00034  -0.00431  -0.01275  -0.01721   1.76849
   D206      -2.47156  -0.00013  -0.00299  -0.01423  -0.01727  -2.48883
   D207      -0.39580  -0.00011  -0.00343  -0.01380  -0.01729  -0.41309
   D208       0.66602   0.00023  -0.00158   0.01183   0.01019   0.67622
   D209      -2.54317   0.00011  -0.00258   0.01396   0.01142  -2.53175
   D210      -1.40884   0.00014  -0.00263   0.01304   0.01032  -1.39852
   D211       1.66515   0.00002  -0.00362   0.01517   0.01154   1.67670
   D212       2.81945   0.00012  -0.00175   0.01402   0.01218   2.83163
   D213      -0.38974   0.00001  -0.00275   0.01615   0.01340  -0.37634
   D214       1.00386   0.00027   0.00160  -0.00698  -0.00519   0.99867
   D215      -2.06501   0.00037   0.00274  -0.00928  -0.00644  -2.07145
   D216      -0.01449   0.00017   0.00332   0.01561   0.01890   0.00441
   D217      -2.92078   0.00007  -0.00084   0.00345   0.00257  -2.91821
   D218       3.05713   0.00009   0.00234   0.01780   0.02018   3.07730
   D219       0.15083  -0.00002  -0.00181   0.00564   0.00385   0.15469
   D220      -2.36520   0.00013  -0.00261  -0.02024  -0.02285  -2.38805
   D221      -0.27258  -0.00007  -0.00209  -0.02139  -0.02349  -0.29607
   D222       1.80137  -0.00010   0.00032  -0.01963  -0.01932   1.78206
   D223       1.00829   0.00004  -0.00683  -0.03219  -0.03902   0.96927
   D224       3.10091  -0.00016  -0.00631  -0.03335  -0.03966   3.06125
   D225      -1.10832  -0.00018  -0.00389  -0.03159  -0.03549  -1.14381
         Item               Value     Threshold  Converged?
 Maximum Force            0.000995     0.000450     NO 
 RMS     Force            0.000207     0.000300     YES
 Maximum Displacement     0.142616     0.001800     NO 
 RMS     Displacement     0.025603     0.001200     NO 
 Predicted change in Energy=-1.481141D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.950928    2.654268    3.562117
      2          6           0       -3.231806    1.283833    3.654177
      3          6           0       -1.996341    1.188824    2.802835
      4          6           0       -1.640200    0.323455    1.778692
      5          7           0       -0.906607    2.064460    2.933414
      6          6           0        0.053352    1.708755    2.017855
      7          7           0       -0.357432    0.652119    1.301712
      8          6           0       -5.175706    0.993105    0.182258
      9          6           0       -5.885997   -0.069301   -0.684197
     10          6           0       -5.301654   -1.492360   -0.498132
     11          6           0       -3.832328   -1.534799   -0.911913
     12          8           0       -3.470733   -1.112502   -2.057932
     13          8           0       -2.959959   -1.979522   -0.001530
     14          6           0       -2.185046    4.237962   -3.019510
     15          6           0       -0.968701    3.758927   -3.839901
     16          6           0       -0.150461    2.707437   -3.137126
     17          6           0       -0.277806    2.074211   -1.909717
     18          7           0        0.978919    2.114396   -3.726806
     19          6           0        1.477874    1.159224   -2.874925
     20          7           0        0.736751    1.114076   -1.759741
     21          6           0        4.809795    3.929137    1.382105
     22          6           0        5.198758    2.572145    2.006042
     23          6           0        4.216116    1.485184    1.663180
     24          6           0        3.252893    1.383202    0.669824
     25          7           0        4.112156    0.283799    2.383194
     26          6           0        3.117279   -0.485508    1.822905
     27          7           0        2.579037    0.159434    0.783131
     28         30           0        0.795922   -0.419665   -0.258588
     29          1           0       -4.858916    2.648671    4.176095
     30          1           0       -4.239332    2.874145    2.528699
     31          1           0       -3.317274    3.475176    3.922765
     32          1           0       -3.916524    0.492122    3.334899
     33          1           0       -2.984186    1.075077    4.704962
     34          1           0       -2.213292   -0.491339    1.359273
     35          1           0       -0.845074    2.836289    3.584347
     36          1           0        0.995142    2.220375    1.907316
     37          1           0       -4.109822    1.057521   -0.070020
     38          1           0       -5.262998    0.749031    1.250157
     39          1           0       -5.622158    1.985161    0.026507
     40          1           0       -6.957382   -0.089419   -0.438841
     41          1           0       -5.796443    0.202743   -1.743308
     42          1           0       -5.394025   -1.826682    0.541512
     43          1           0       -5.860230   -2.193446   -1.133716
     44          1           0       -2.865671    3.405818   -2.802947
     45          1           0       -2.743919    4.994036   -3.581677
     46          1           0       -1.873326    4.686837   -2.068424
     47          1           0       -1.324169    3.353419   -4.799373
     48          1           0       -0.331359    4.622348   -4.084549
     49          1           0       -1.030160    2.216021   -1.152374
     50          1           0        1.346288    2.336494   -4.643477
     51          1           0        2.316387    0.516740   -3.086015
     52          1           0        4.776957    3.868720    0.287445
     53          1           0        3.827388    4.263864    1.737439
     54          1           0        5.545455    4.695982    1.648498
     55          1           0        5.263739    2.679146    3.098921
     56          1           0        6.204959    2.289637    1.662442
     57          1           0        2.998601    2.091681   -0.101062
     58          1           0        4.668920    0.032601    3.190361
     59          1           0        2.795691   -1.448807    2.183222
     60          8           0       -0.836750   -1.353132   -1.047997
     61          1           0       -1.214495   -1.057974   -1.904248
     62          1           0       -1.732648   -1.706590   -0.502218
     63          6           0        2.868414   -2.636195   -1.573452
     64          8           0        2.213705   -1.554007   -1.671962
     65          7           0        2.290779   -3.801290   -1.158937
     66          6           0        0.855260   -3.939716   -0.899065
     67          6           0        0.423734   -3.418694    0.479565
     68          8           0        0.947016   -2.358179    0.960356
     69          7           0       -0.573318   -4.096934    1.084765
     70          1           0        0.298120   -3.317634   -1.611606
     71          1           0        0.570805   -4.987778   -1.040297
     72          1           0        2.877550   -4.620860   -1.059237
     73          1           0       -0.968923   -4.898416    0.604087
     74          6           0       -1.307542   -3.607659    2.266132
     75          1           0       -1.440300   -4.423049    2.985249
     76          1           0       -0.730424   -2.803649    2.726345
     77          1           0       -2.280779   -3.219029    1.944162
     78          6           0        4.340166   -2.693521   -1.942211
     79          1           0        4.445624   -2.498496   -3.015945
     80          1           0        4.875691   -1.901646   -1.408966
     81          1           0        4.805860   -3.658070   -1.716574
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0965208      0.0726151      0.0662840
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4912.0584444418 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33692 LenP2D=  122128.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.42D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999996   -0.001269   -0.000972   -0.002236 Ang=  -0.32 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97543477     A.U. after   11 cycles
            NFock= 11  Conv=0.45D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33692 LenP2D=  122128.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000172193   -0.000592686   -0.000162393
      3        6           0.000454949   -0.000337421   -0.000640488
      4        6          -0.000974083    0.000342666    0.000912409
      5        7          -0.000206473    0.000023286    0.000344771
      6        6          -0.000022063   -0.000061745   -0.000460691
      7        7           0.000696785   -0.000169744   -0.000490459
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000142405    0.000121129   -0.000224670
     10        6          -0.000303744   -0.000057212   -0.000114428
     11        6           0.000885655   -0.000236902   -0.000010772
     12        8          -0.000768543   -0.000055062   -0.000134351
     13        8          -0.000615036   -0.000194823   -0.000226899
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000010703   -0.000208313    0.000040811
     16        6           0.000291446    0.000155960    0.000488528
     17        6           0.000378488   -0.000140743   -0.000224428
     18        7          -0.000196833    0.000481631   -0.000614998
     19        6           0.000197412   -0.000500697    0.000209745
     20        7          -0.000736518   -0.000401067   -0.000109122
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000187768   -0.000033226    0.000017799
     23        6           0.000062395    0.000324550    0.000573777
     24        6          -0.000246361   -0.000050274   -0.000239778
     25        7          -0.000210720   -0.000103215   -0.000445629
     26        6           0.000310558   -0.000020238    0.000605397
     27        7          -0.000238197   -0.000373088   -0.001188423
     28       30           0.002429430    0.001059148    0.002215989
     29        1           0.000061393    0.000094706    0.000098012
     30        1           0.000133903   -0.000165429   -0.000243974
     31        1          -0.000264626   -0.000459880    0.000278810
     32        1           0.000268348    0.000516865   -0.000199042
     33        1          -0.000355744    0.000176479    0.000482840
     34        1          -0.000068481   -0.000292506   -0.000060392
     35        1           0.000123018    0.000124926    0.000114740
     36        1          -0.000158424    0.000219259    0.000130349
     37        1          -0.000050098    0.000102624    0.000028571
     38        1          -0.000210074    0.000105430    0.000170989
     39        1          -0.000154951    0.000222547   -0.000050104
     40        1           0.000015564   -0.000049065    0.000008650
     41        1          -0.000001293    0.000098384    0.000031795
     42        1           0.000010362   -0.000116626    0.000069005
     43        1          -0.000035867    0.000096776   -0.000037155
     44        1           0.000032132   -0.000116544    0.000028724
     45        1           0.000081046   -0.000016547    0.000006084
     46        1          -0.000124036   -0.000088537    0.000152107
     47        1           0.000013551   -0.000059373    0.000049194
     48        1          -0.000076521   -0.000044000    0.000146972
     49        1           0.000061113    0.000057295   -0.000116895
     50        1           0.000052108    0.000068167   -0.000082657
     51        1          -0.000110048   -0.000024675   -0.000003072
     52        1          -0.000029505    0.000019268   -0.000013719
     53        1          -0.000149659    0.000056013   -0.000036030
     54        1          -0.000107478   -0.000018051    0.000041962
     55        1          -0.000001470    0.000003528    0.000023322
     56        1           0.000011278   -0.000039315   -0.000002183
     57        1          -0.000171745   -0.000030218   -0.000095011
     58        1          -0.000139626    0.000084288   -0.000123978
     59        1          -0.000112731    0.000063333   -0.000138939
     60        8          -0.001151259    0.000391990   -0.000563364
     61        1           0.000846384   -0.000200849   -0.000050288
     62        1          -0.000245613    0.000086062    0.000496794
     63        6          -0.000358894   -0.000812764    0.000060349
     64        8          -0.000080923   -0.000196990   -0.000473765
     65        7          -0.000276791    0.000562977   -0.000062883
     66        6           0.000441371   -0.000098725   -0.000221741
     67        6          -0.000692553   -0.000245185    0.000192723
     68        8           0.000316982    0.000903046   -0.000274311
     69        7          -0.000220116    0.000222698   -0.000201218
     70        1          -0.000102929   -0.000066784    0.000083114
     71        1           0.000013257   -0.000083496   -0.000081721
     72        1          -0.000041819    0.000084931    0.000080225
     73        1           0.000018802   -0.000063085   -0.000187819
     74        6           0.000521042    0.000436625    0.000144579
     75        1          -0.000264357   -0.000171255    0.000110371
     76        1           0.000067201   -0.000061347    0.000108131
     77        1          -0.000034350   -0.000473209    0.000250124
     78        6           0.000355208    0.000157022    0.000069570
     79        1          -0.000158144   -0.000029362   -0.000025973
     80        1           0.000068943   -0.000009359    0.000050388
     81        1          -0.000016360    0.000077955    0.000036661
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.002429430 RMS     0.000368187

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000878070 RMS     0.000177849
 Search for a local minimum.
 Step number  29 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   27   28   29
 DE= -1.74D-04 DEPred=-1.48D-04 R= 1.18D+00
 TightC=F SS=  1.41D+00  RLast= 2.59D-01 DXNew= 5.0454D+00 7.7829D-01
 Trust test= 1.18D+00 RLast= 2.59D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00081   0.00155   0.00178   0.00230   0.00230
     Eigenvalues ---    0.00232   0.00239   0.00380   0.00482   0.00530
     Eigenvalues ---    0.00552   0.00629   0.00638   0.00711   0.00749
     Eigenvalues ---    0.00769   0.00810   0.00847   0.00891   0.00966
     Eigenvalues ---    0.01165   0.01211   0.01293   0.01346   0.01416
     Eigenvalues ---    0.01540   0.01593   0.01695   0.01706   0.01752
     Eigenvalues ---    0.01821   0.01849   0.01876   0.01914   0.01932
     Eigenvalues ---    0.01994   0.02056   0.02146   0.02188   0.02247
     Eigenvalues ---    0.02289   0.02416   0.02423   0.02585   0.02628
     Eigenvalues ---    0.02820   0.03267   0.03627   0.03857   0.03969
     Eigenvalues ---    0.04019   0.04145   0.04276   0.04466   0.04554
     Eigenvalues ---    0.04608   0.04830   0.05042   0.05313   0.05343
     Eigenvalues ---    0.05372   0.05384   0.05414   0.05431   0.05495
     Eigenvalues ---    0.05502   0.05507   0.05538   0.05552   0.05560
     Eigenvalues ---    0.05913   0.06072   0.06890   0.06932   0.07043
     Eigenvalues ---    0.07488   0.07639   0.07697   0.07800   0.08318
     Eigenvalues ---    0.08687   0.09097   0.09317   0.09394   0.09501
     Eigenvalues ---    0.09684   0.10059   0.10432   0.10676   0.10964
     Eigenvalues ---    0.11908   0.12240   0.12482   0.12941   0.12961
     Eigenvalues ---    0.13034   0.13332   0.14521   0.14776   0.15304
     Eigenvalues ---    0.15714   0.15731   0.15882   0.15958   0.15976
     Eigenvalues ---    0.15985   0.15989   0.15991   0.15994   0.15995
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16000   0.16002
     Eigenvalues ---    0.16003   0.16007   0.16009   0.16014   0.16021
     Eigenvalues ---    0.16036   0.16051   0.16068   0.16095   0.16110
     Eigenvalues ---    0.16152   0.16243   0.16282   0.16415   0.16552
     Eigenvalues ---    0.18253   0.18413   0.20535   0.20835   0.21225
     Eigenvalues ---    0.21843   0.22222   0.22321   0.22483   0.22778
     Eigenvalues ---    0.22985   0.23051   0.23215   0.23624   0.23831
     Eigenvalues ---    0.24078   0.24145   0.24468   0.24953   0.25145
     Eigenvalues ---    0.25329   0.26871   0.27296   0.27670   0.27965
     Eigenvalues ---    0.28192   0.28228   0.28693   0.29164   0.30240
     Eigenvalues ---    0.30847   0.30967   0.31531   0.31694   0.31932
     Eigenvalues ---    0.33510   0.33616   0.33629   0.33662   0.33669
     Eigenvalues ---    0.33779   0.33808   0.33856   0.33904   0.33921
     Eigenvalues ---    0.33926   0.33949   0.33984   0.33992   0.34003
     Eigenvalues ---    0.34031   0.34059   0.34087   0.34089   0.34130
     Eigenvalues ---    0.34142   0.34176   0.34182   0.34196   0.34210
     Eigenvalues ---    0.34294   0.34303   0.34504   0.34725   0.35335
     Eigenvalues ---    0.35723   0.35767   0.36140   0.36234   0.36345
     Eigenvalues ---    0.36523   0.36531   0.37507   0.39134   0.39532
     Eigenvalues ---    0.39675   0.42333   0.42606   0.42769   0.43851
     Eigenvalues ---    0.45290   0.45437   0.45474   0.45550   0.45584
     Eigenvalues ---    0.45606   0.45643   0.46311   0.48778   0.49200
     Eigenvalues ---    0.49560   0.49840   0.50106   0.52277   0.54559
     Eigenvalues ---    0.54888   0.55052   0.57015   0.66606   0.73148
     Eigenvalues ---    0.769111000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    29   28   27   26   25
 RFO step:  Lambda=-3.91773926D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.12167    0.25920   -0.36092   -0.23864    0.21868
 Iteration  1 RMS(Cart)=  0.02533431 RMS(Int)=  0.00025109
 Iteration  2 RMS(Cart)=  0.00040392 RMS(Int)=  0.00015131
 Iteration  3 RMS(Cart)=  0.00000061 RMS(Int)=  0.00015131
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00025   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762  -0.00043   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00009   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00038   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00056   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969  -0.00012   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00017   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140  -0.00037   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00032   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00029   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00021   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00002   0.00000   0.00000   0.00000   4.09468
    R1        2.92981   0.00021   0.00082   0.00052   0.00155   2.93136
    R2        2.07133   0.00014  -0.00026   0.00002  -0.00054   2.07079
    R3        2.06964   0.00032   0.00034   0.00129   0.00177   2.07141
    R4        2.07481   0.00060  -0.00032   0.00206   0.00179   2.07659
    R5        2.84100   0.00029  -0.00042   0.00082   0.00070   2.84170
    R6        2.06801   0.00061  -0.00038   0.00226   0.00187   2.06988
    R7        2.07788   0.00061  -0.00019   0.00193   0.00175   2.07963
    R8        2.62159  -0.00004   0.00049  -0.00023   0.00034   2.62193
    R9        2.65324  -0.00001  -0.00053   0.00012  -0.00034   2.65290
   R10        2.65977  -0.00031  -0.00039  -0.00118  -0.00146   2.65831
   R11        2.04251  -0.00021   0.00022  -0.00047  -0.00024   2.04227
   R12        2.59540   0.00029  -0.00013   0.00091   0.00096   2.59636
   R13        1.91154   0.00004  -0.00002   0.00012   0.00010   1.91164
   R14        2.53398  -0.00008  -0.00017  -0.00018  -0.00031   2.53368
   R15        2.03612  -0.00005   0.00002  -0.00037  -0.00035   2.03577
   R16        4.18884   0.00009  -0.01141  -0.01284  -0.02397   4.16487
   R17        2.91775   0.00028  -0.00147   0.00142  -0.00017   2.91758
   R18        2.07346   0.00000  -0.00009  -0.00014  -0.00029   2.07316
   R19        2.07664   0.00021  -0.00024   0.00071   0.00057   2.07720
   R20        2.07677  -0.00027   0.00104  -0.00034   0.00073   2.07750
   R21        2.92827   0.00006  -0.00060   0.00083   0.00019   2.92846
   R22        2.07738   0.00000   0.00017  -0.00003   0.00014   2.07752
   R23        2.07332  -0.00008   0.00000  -0.00036  -0.00036   2.07296
   R24        2.88574  -0.00020   0.00087  -0.00054   0.00026   2.88600
   R25        2.07110   0.00000   0.00030   0.00001   0.00030   2.07140
   R26        2.07655   0.00007  -0.00017   0.00021   0.00003   2.07658
   R27        2.40704   0.00005   0.00071   0.00074   0.00141   2.40846
   R28        2.52659   0.00045  -0.00019   0.00045   0.00035   2.52694
   R29        4.27479  -0.00054  -0.00567  -0.01398  -0.01973   4.25506
   R30        2.55740  -0.00046   0.00079   0.00238   0.00318   2.56058
   R31        2.91656  -0.00021   0.00086  -0.00086  -0.00008   2.91648
   R32        2.07234  -0.00010   0.00018  -0.00008   0.00015   2.07249
   R33        2.07011   0.00007  -0.00012   0.00009  -0.00003   2.07008
   R34        2.07287   0.00019  -0.00032   0.00043   0.00011   2.07298
   R35        2.84656  -0.00011   0.00017  -0.00037  -0.00020   2.84636
   R36        2.07989  -0.00006   0.00016  -0.00010   0.00006   2.07995
   R37        2.08003   0.00006  -0.00007   0.00033   0.00026   2.08030
   R38        2.62102  -0.00026   0.00033  -0.00047  -0.00008   2.62094
   R39        2.65567   0.00034  -0.00078   0.00041  -0.00041   2.65526
   R40        2.65483   0.00027  -0.00020   0.00068   0.00051   2.65534
   R41        2.03505  -0.00003   0.00019  -0.00044  -0.00025   2.03480
   R42        2.59589  -0.00012   0.00043  -0.00027   0.00011   2.59600
   R43        1.91280   0.00002   0.00000   0.00005   0.00005   1.91286
   R44        2.53177   0.00009  -0.00010   0.00052   0.00043   2.53219
   R45        2.03569   0.00009  -0.00018   0.00017  -0.00001   2.03568
   R46        4.05711   0.00047   0.00137   0.00751   0.00890   4.06602
   R47        2.91656   0.00013  -0.00043   0.00032  -0.00009   2.91647
   R48        2.07268   0.00001  -0.00002  -0.00011  -0.00020   2.07248
   R49        2.07304  -0.00015   0.00048   0.00000   0.00063   2.07367
   R50        2.07028   0.00008  -0.00003   0.00009  -0.00002   2.07026
   R51        2.84379   0.00010   0.00039   0.00002   0.00050   2.84428
   R52        2.07875   0.00002   0.00004   0.00002   0.00006   2.07881
   R53        2.07897   0.00000  -0.00023   0.00002  -0.00021   2.07876
   R54        2.62186   0.00013   0.00007   0.00031   0.00040   2.62225
   R55        2.65408  -0.00011   0.00013  -0.00004   0.00010   2.65418
   R56        2.64867   0.00009  -0.00038   0.00026  -0.00006   2.64861
   R57        2.03606  -0.00001  -0.00007   0.00016   0.00009   2.03615
   R58        2.60175  -0.00007   0.00032  -0.00019   0.00015   2.60189
   R59        1.91283   0.00002  -0.00005   0.00006   0.00001   1.91284
   R60        2.52601   0.00016  -0.00007   0.00029   0.00022   2.52623
   R61        2.03634   0.00005  -0.00007   0.00014   0.00007   2.03641
   R62        4.05303  -0.00003   0.00210   0.00082   0.00300   4.05603
   R63        3.85437  -0.00072   0.00251  -0.00197   0.00056   3.85493
   R64        4.34820   0.00037   0.00840   0.02422   0.03246   4.38066
   R65        4.33670   0.00037   0.00360  -0.00572  -0.00228   4.33443
   R66        1.85441   0.00036  -0.00032   0.00066   0.00031   1.85473
   R67        2.09192  -0.00040   0.00018  -0.00288  -0.00270   2.08922
   R68        2.39741   0.00010  -0.00010   0.00012   0.00002   2.39743
   R69        2.57927   0.00056  -0.00028   0.00214   0.00204   2.58132
   R70        2.86923  -0.00032  -0.00011  -0.00107  -0.00118   2.86804
   R71        2.76921   0.00017  -0.00064   0.00020  -0.00026   2.76895
   R72        1.91408   0.00007   0.00000   0.00016   0.00016   1.91423
   R73        2.90201   0.00015   0.00017   0.00057   0.00092   2.90293
   R74        2.07449  -0.00008   0.00007  -0.00042  -0.00034   2.07415
   R75        2.06948  -0.00005   0.00021   0.00006   0.00027   2.06975
   R76        2.41240  -0.00064   0.00110  -0.00041   0.00063   2.41303
   R77        2.54965   0.00003  -0.00072  -0.00003  -0.00075   2.54890
   R78        1.91779   0.00008  -0.00014   0.00026   0.00011   1.91791
   R79        2.78637   0.00066  -0.00047   0.00131   0.00085   2.78722
   R80        2.06976  -0.00006   0.00029  -0.00003   0.00026   2.07002
   R81        2.06257   0.00009  -0.00028   0.00033   0.00005   2.06262
   R82        2.07172  -0.00003   0.00027   0.00042   0.00068   2.07240
   R83        2.07187   0.00003   0.00026   0.00022   0.00048   2.07234
   R84        2.06854   0.00002  -0.00023  -0.00003  -0.00027   2.06827
   R85        2.06848   0.00007  -0.00001   0.00021   0.00020   2.06869
    A1        1.92459  -0.00007   0.00045  -0.00029   0.00026   1.92484
    A2        1.93439   0.00012  -0.00004   0.00004  -0.00015   1.93424
    A3        1.95379  -0.00010   0.00090  -0.00085  -0.00004   1.95375
    A4        1.88749   0.00001  -0.00081   0.00075   0.00005   1.88755
    A5        1.87329   0.00006  -0.00078   0.00041  -0.00020   1.87309
    A6        1.88790  -0.00002   0.00020   0.00001   0.00009   1.88799
    A7        1.98603   0.00019  -0.00090   0.00050   0.00029   1.98632
    A8        1.90916  -0.00006   0.00001   0.00027   0.00010   1.90926
    A9        1.90606   0.00002   0.00075  -0.00053  -0.00004   1.90601
   A10        1.87890   0.00003  -0.00108   0.00172   0.00046   1.87935
   A11        1.92207  -0.00021   0.00124  -0.00209  -0.00104   1.92103
   A12        1.85705   0.00001   0.00000   0.00018   0.00026   1.85731
   A13        2.30290   0.00028  -0.00026   0.00029  -0.00008   2.30282
   A14        2.14808  -0.00016   0.00010  -0.00026   0.00008   2.14816
   A15        1.83220  -0.00012   0.00015  -0.00001   0.00000   1.83220
   A16        1.91610   0.00029  -0.00079   0.00050  -0.00015   1.91595
   A17        2.24029   0.00001  -0.00026   0.00063   0.00028   2.24057
   A18        2.12677  -0.00030   0.00110  -0.00118  -0.00016   2.12661
   A19        1.89544  -0.00010   0.00045  -0.00048   0.00002   1.89545
   A20        2.19312  -0.00014   0.00026  -0.00105  -0.00081   2.19231
   A21        2.19454   0.00024  -0.00069   0.00151   0.00080   2.19534
   A22        1.92408   0.00006  -0.00077  -0.00004  -0.00081   1.92328
   A23        2.16078  -0.00001   0.00077   0.00044   0.00119   2.16197
   A24        2.19832  -0.00005   0.00004  -0.00040  -0.00038   2.19794
   A25        1.85690  -0.00012   0.00096   0.00009   0.00096   1.85786
   A26        2.21411   0.00040  -0.00129  -0.00438  -0.00592   2.20819
   A27        2.21123  -0.00028   0.00030   0.00386   0.00448   2.21571
   A28        1.93720  -0.00007   0.00182  -0.00021   0.00168   1.93888
   A29        1.93474   0.00006  -0.00045   0.00031  -0.00016   1.93458
   A30        1.93341  -0.00003  -0.00111   0.00034  -0.00074   1.93267
   A31        1.88982  -0.00008   0.00186  -0.00134   0.00048   1.89030
   A32        1.88500   0.00008  -0.00097   0.00035  -0.00061   1.88439
   A33        1.88173   0.00005  -0.00115   0.00054  -0.00070   1.88104
   A34        1.97256  -0.00008   0.00000   0.00002  -0.00001   1.97256
   A35        1.91313  -0.00001  -0.00079  -0.00088  -0.00160   1.91153
   A36        1.91086   0.00007   0.00055   0.00102   0.00152   1.91238
   A37        1.90066   0.00005   0.00029   0.00032   0.00062   1.90129
   A38        1.88898  -0.00001  -0.00080  -0.00056  -0.00135   1.88763
   A39        1.87501  -0.00002   0.00079   0.00008   0.00087   1.87588
   A40        1.93460   0.00028  -0.00145   0.00054  -0.00110   1.93350
   A41        1.94149  -0.00016   0.00089  -0.00112  -0.00012   1.94137
   A42        1.90158   0.00000  -0.00052   0.00127   0.00074   1.90231
   A43        1.90673  -0.00009   0.00165  -0.00051   0.00116   1.90790
   A44        1.89088  -0.00009  -0.00027  -0.00012  -0.00030   1.89058
   A45        1.88726   0.00006  -0.00031  -0.00004  -0.00038   1.88688
   A46        2.10334   0.00037  -0.00174   0.00007  -0.00184   2.10150
   A47        2.04042  -0.00020   0.00122   0.00109   0.00238   2.04279
   A48        2.13848  -0.00016   0.00054  -0.00087  -0.00024   2.13823
   A49        1.80288  -0.00006   0.00044   0.00210   0.00256   1.80544
   A50        1.84702   0.00030  -0.00228  -0.00119  -0.00343   1.84359
   A51        1.93755   0.00012  -0.00049   0.00062   0.00014   1.93769
   A52        1.92145   0.00007  -0.00052   0.00025  -0.00025   1.92120
   A53        1.94329  -0.00017   0.00045  -0.00109  -0.00060   1.94268
   A54        1.88434  -0.00008   0.00090   0.00011   0.00098   1.88532
   A55        1.89196   0.00002  -0.00025   0.00020  -0.00007   1.89188
   A56        1.88336   0.00002  -0.00007  -0.00008  -0.00015   1.88321
   A57        1.97878  -0.00027   0.00138  -0.00075   0.00068   1.97946
   A58        1.89991   0.00003   0.00014   0.00031   0.00046   1.90037
   A59        1.90817   0.00010  -0.00052  -0.00046  -0.00101   1.90716
   A60        1.90177   0.00015  -0.00130   0.00082  -0.00049   1.90128
   A61        1.91424   0.00001   0.00070  -0.00067   0.00002   1.91426
   A62        1.85694   0.00000  -0.00053   0.00085   0.00033   1.85727
   A63        2.32086  -0.00010   0.00104   0.00011   0.00123   2.32209
   A64        2.13572   0.00002  -0.00090  -0.00035  -0.00135   2.13437
   A65        1.82601   0.00008  -0.00027   0.00036   0.00009   1.82610
   A66        1.91791   0.00001   0.00008   0.00004   0.00009   1.91800
   A67        2.24769  -0.00006   0.00016  -0.00040  -0.00023   2.24746
   A68        2.11700   0.00005  -0.00026   0.00037   0.00012   2.11712
   A69        1.90193  -0.00010   0.00052  -0.00031   0.00021   1.90214
   A70        2.18839   0.00004  -0.00028   0.00021  -0.00009   2.18831
   A71        2.19241   0.00007  -0.00019   0.00025   0.00004   2.19246
   A72        1.91633   0.00010  -0.00049   0.00043  -0.00002   1.91631
   A73        2.18452  -0.00006   0.00053  -0.00010   0.00040   2.18492
   A74        2.18169  -0.00005   0.00003  -0.00041  -0.00040   2.18129
   A75        1.86251  -0.00008   0.00017  -0.00046  -0.00032   1.86220
   A76        2.19294  -0.00009  -0.00114  -0.00127  -0.00223   2.19071
   A77        2.20289   0.00016   0.00025   0.00010   0.00013   2.20302
   A78        1.94184  -0.00001   0.00037   0.00018   0.00059   1.94243
   A79        1.94231  -0.00007  -0.00041  -0.00014  -0.00064   1.94167
   A80        1.92613  -0.00010   0.00131  -0.00078   0.00057   1.92670
   A81        1.88943   0.00006  -0.00030   0.00023  -0.00011   1.88932
   A82        1.87690   0.00005  -0.00029   0.00012  -0.00006   1.87684
   A83        1.88495   0.00009  -0.00074   0.00042  -0.00037   1.88458
   A84        1.95886   0.00017  -0.00033   0.00053   0.00040   1.95927
   A85        1.90816  -0.00003  -0.00036   0.00020  -0.00011   1.90805
   A86        1.90712  -0.00009   0.00033  -0.00034  -0.00018   1.90694
   A87        1.91260  -0.00005  -0.00012  -0.00035  -0.00053   1.91207
   A88        1.91833  -0.00002   0.00079  -0.00006   0.00068   1.91901
   A89        1.85589   0.00003  -0.00032  -0.00001  -0.00031   1.85558
   A90        2.30439  -0.00023   0.00037  -0.00057  -0.00012   2.30428
   A91        2.15242   0.00022  -0.00020   0.00025   0.00003   2.15245
   A92        1.82635   0.00001  -0.00019   0.00034   0.00010   1.82645
   A93        1.91779   0.00000   0.00028  -0.00038  -0.00007   1.91772
   A94        2.24950  -0.00006   0.00009   0.00004   0.00012   2.24962
   A95        2.11588   0.00006  -0.00038   0.00034  -0.00005   2.11584
   A96        1.89952   0.00003  -0.00010  -0.00016  -0.00026   1.89925
   A97        2.18997   0.00006  -0.00047   0.00036  -0.00017   2.18980
   A98        2.19359  -0.00009   0.00054  -0.00023   0.00025   2.19384
   A99        1.91551   0.00007   0.00003   0.00017   0.00021   1.91572
   A100       2.18840  -0.00001  -0.00027  -0.00021  -0.00049   2.18791
   A101       2.17881  -0.00006   0.00019   0.00021   0.00037   2.17919
   A102       1.86561  -0.00012  -0.00005   0.00002  -0.00008   1.86552
   A103       2.20953   0.00039   0.00092  -0.00086   0.00015   2.20968
   A104       2.19235  -0.00026  -0.00036   0.00117   0.00079   2.19314
   A105       1.70360   0.00015  -0.00047  -0.00245  -0.00315   1.70046
   A106       1.53093   0.00007   0.00407   0.00773   0.01100   1.54193
   A107       1.64810   0.00000   0.00258   0.00840   0.01059   1.65869
   A108       3.00991  -0.00007  -0.00127   0.00098  -0.00025   3.00967
   A109       1.63966   0.00002   0.00189   0.00691   0.00930   1.64895
   A110       1.74125  -0.00015  -0.00168   0.00050  -0.00119   1.74007
   A111       1.60507   0.00020  -0.00211  -0.00228  -0.00422   1.60085
   A112       1.51043  -0.00012  -0.00121  -0.00543  -0.00723   1.50320
   A113       2.92509  -0.00019  -0.00133  -0.00502  -0.00637   2.91872
   A114       2.92692  -0.00008   0.00171  -0.00298  -0.00203   2.92489
   A115       1.48989  -0.00013  -0.00546  -0.01041  -0.01559   1.47430
   A116       1.48605   0.00021   0.00057   0.00057   0.00103   1.48708
   A117       1.60067   0.00005  -0.00034  -0.00396  -0.00352   1.59715
   A118       1.44213  -0.00028   0.00199  -0.00197   0.00000   1.44213
   A119       1.43969  -0.00004  -0.00003   0.00164   0.00195   1.44164
   A120       2.10387  -0.00005   0.00115   0.00207   0.00332   2.10719
   A121       2.21822  -0.00018  -0.00219  -0.01246  -0.01434   2.20389
   A122       1.78718   0.00017  -0.00094   0.00050  -0.00039   1.78679
   A123       2.02191   0.00012   0.00098   0.00223   0.00329   2.02520
   A124       2.94506  -0.00040   0.00130  -0.00206  -0.00092   2.94415
   A125       2.13333  -0.00005  -0.00194  -0.00111  -0.00313   2.13020
   A126       2.11015   0.00024   0.00051   0.00171   0.00226   2.11242
   A127       2.03953  -0.00019   0.00140  -0.00056   0.00088   2.04041
   A128       2.33341  -0.00021  -0.00046  -0.00818  -0.00901   2.32440
   A129       2.15205  -0.00017  -0.00200  -0.00262  -0.00450   2.14755
   A130       2.06624   0.00013   0.00104   0.00176   0.00277   2.06901
   A131       2.06417   0.00004   0.00101   0.00094   0.00193   2.06610
   A132       1.98496  -0.00035   0.00162  -0.00130   0.00038   1.98534
   A133       1.90555   0.00007   0.00039  -0.00103  -0.00070   1.90484
   A134       1.89862   0.00005   0.00033   0.00110   0.00146   1.90008
   A135       1.82123   0.00017  -0.00023  -0.00024  -0.00041   1.82082
   A136       1.94710   0.00010  -0.00149   0.00057  -0.00101   1.94609
   A137       1.90370  -0.00002  -0.00070   0.00088   0.00018   1.90388
   A138       2.09992   0.00022   0.00194  -0.00068   0.00111   2.10103
   A139       2.02616   0.00065  -0.00200   0.00249   0.00056   2.02672
   A140       2.15506  -0.00088   0.00011  -0.00187  -0.00169   2.15337
   A141       2.06542  -0.00015  -0.00109   0.00121  -0.00006   2.06537
   A142       2.06305   0.00018  -0.00033   0.00046   0.00007   2.06312
   A143       2.16586  -0.00069   0.00348  -0.00211   0.00130   2.16715
   A144       2.03470   0.00050  -0.00154   0.00234   0.00073   2.03543
   A145       1.91704  -0.00004  -0.00064  -0.00104  -0.00169   1.91535
   A146       1.89544  -0.00003   0.00099  -0.00033   0.00066   1.89609
   A147       1.90115   0.00035  -0.00122   0.00179   0.00056   1.90171
   A148       1.91309  -0.00015   0.00029  -0.00154  -0.00125   1.91184
   A149       1.92744   0.00020  -0.00213   0.00254   0.00040   1.92783
   A150       1.90933  -0.00034   0.00280  -0.00144   0.00135   1.91068
   A151       1.90115   0.00028  -0.00124   0.00178   0.00053   1.90168
   A152       1.90561  -0.00015   0.00043  -0.00113  -0.00071   1.90491
   A153       1.97752  -0.00010   0.00027  -0.00073  -0.00046   1.97706
   A154       1.87690  -0.00003   0.00002   0.00017   0.00018   1.87708
   A155       1.89410  -0.00006  -0.00006  -0.00010  -0.00016   1.89394
   A156       1.90595   0.00006   0.00058   0.00007   0.00064   1.90659
    D1        3.10795   0.00012  -0.00387   0.00388  -0.00001   3.10794
    D2        1.00606  -0.00001  -0.00190   0.00116  -0.00086   1.00520
    D3       -1.01988  -0.00001  -0.00233   0.00110  -0.00120  -1.02108
    D4        1.01846   0.00007  -0.00313   0.00311  -0.00015   1.01831
    D5       -1.08343  -0.00006  -0.00115   0.00039  -0.00100  -1.08443
    D6       -3.10937  -0.00005  -0.00158   0.00032  -0.00133  -3.11071
    D7       -1.09100   0.00008  -0.00397   0.00364  -0.00012  -1.09113
    D8        3.09029  -0.00005  -0.00199   0.00093  -0.00097   3.08932
    D9        1.06435  -0.00004  -0.00242   0.00086  -0.00131   1.06304
   D10       -2.12295  -0.00013  -0.00796  -0.00654  -0.01459  -2.13754
   D11        1.01292   0.00005  -0.00911  -0.00044  -0.00955   1.00336
   D12       -0.00412  -0.00006  -0.00929  -0.00466  -0.01396  -0.01808
   D13        3.13174   0.00012  -0.01045   0.00144  -0.00892   3.12282
   D14        2.01362  -0.00014  -0.00924  -0.00460  -0.01395   1.99967
   D15       -1.13370   0.00005  -0.01039   0.00150  -0.00891  -1.14261
   D16       -3.13662  -0.00015   0.00080  -0.00047   0.00055  -3.13608
   D17        0.01275   0.00016  -0.00265   0.00697   0.00436   0.01711
   D18        0.00994  -0.00031   0.00180  -0.00576  -0.00382   0.00611
   D19       -3.12387   0.00000  -0.00165   0.00168  -0.00001  -3.12388
   D20        3.13906   0.00009  -0.00015   0.00137   0.00106   3.14012
   D21       -0.01643   0.00002   0.00199   0.00004   0.00196  -0.01446
   D22       -0.00694   0.00023  -0.00104   0.00607   0.00493  -0.00201
   D23        3.12076   0.00016   0.00110   0.00473   0.00584   3.12660
   D24       -0.00932   0.00028  -0.00191   0.00334   0.00129  -0.00803
   D25        3.08768   0.00019  -0.00157  -0.00680  -0.00857   3.07912
   D26        3.12509  -0.00001   0.00125  -0.00352  -0.00223   3.12286
   D27       -0.06109  -0.00010   0.00160  -0.01366  -0.01209  -0.07318
   D28        0.00136  -0.00007  -0.00012  -0.00426  -0.00438  -0.00301
   D29       -3.14102   0.00002  -0.00302   0.00015  -0.00278   3.13939
   D30       -3.12632   0.00001  -0.00230  -0.00290  -0.00527  -3.13159
   D31        0.01448   0.00010  -0.00520   0.00151  -0.00367   0.01081
   D32        0.00477  -0.00013   0.00123   0.00060   0.00191   0.00668
   D33       -3.09233  -0.00006   0.00098   0.01099   0.01217  -3.08016
   D34       -3.13601  -0.00022   0.00421  -0.00393   0.00027  -3.13574
   D35        0.05007  -0.00015   0.00397   0.00646   0.01053   0.06061
   D36        1.95767   0.00010   0.00765   0.00604   0.01383   1.97150
   D37       -2.58800  -0.00004   0.00646   0.00758   0.01409  -2.57392
   D38        0.34183  -0.00011   0.00958   0.00740   0.01695   0.35878
   D39       -2.17818   0.00000  -0.01860  -0.06094  -0.07927  -2.25745
   D40       -1.10498   0.00017   0.00722   0.00839   0.01558  -1.08940
   D41       -1.23727   0.00000   0.00802  -0.00625   0.00183  -1.23544
   D42        0.50024  -0.00014   0.00683  -0.00470   0.00208   0.50232
   D43       -2.85311  -0.00021   0.00995  -0.00489   0.00494  -2.84817
   D44        0.91006  -0.00010  -0.01823  -0.07322  -0.09128   0.81878
   D45        1.98326   0.00007   0.00759  -0.00389   0.00358   1.98684
   D46        1.05355  -0.00003  -0.00685   0.00425  -0.00265   1.05091
   D47       -3.10608  -0.00003  -0.00704   0.00405  -0.00300  -3.10908
   D48       -1.05345  -0.00002  -0.00622   0.00423  -0.00199  -1.05545
   D49       -1.04739   0.00008  -0.01008   0.00588  -0.00427  -1.05165
   D50        1.07617   0.00009  -0.01027   0.00568  -0.00462   1.07154
   D51        3.12879   0.00009  -0.00946   0.00586  -0.00361   3.12518
   D52       -3.13565   0.00000  -0.00760   0.00477  -0.00280  -3.13845
   D53       -1.01210   0.00000  -0.00780   0.00457  -0.00316  -1.01526
   D54        1.04052   0.00001  -0.00698   0.00476  -0.00215   1.03838
   D55       -1.07314   0.00001  -0.00467  -0.00076  -0.00533  -1.07847
   D56        1.05205  -0.00002  -0.00296  -0.00180  -0.00469   1.04736
   D57        3.13091  -0.00004  -0.00313  -0.00173  -0.00476   3.12615
   D58        3.07949   0.00005  -0.00387   0.00012  -0.00373   3.07576
   D59       -1.07851   0.00001  -0.00216  -0.00093  -0.00309  -1.08159
   D60        1.00035  -0.00001  -0.00233  -0.00085  -0.00316   0.99720
   D61        1.04627   0.00005  -0.00453   0.00015  -0.00436   1.04191
   D62       -3.11173   0.00002  -0.00282  -0.00089  -0.00372  -3.11544
   D63       -1.03286   0.00000  -0.00299  -0.00082  -0.00379  -1.03665
   D64       -0.92258  -0.00007  -0.00099  -0.00102  -0.00192  -0.92450
   D65        2.17325   0.00002  -0.00014   0.00573   0.00566   2.17892
   D66       -3.06801   0.00000  -0.00227   0.00037  -0.00183  -3.06984
   D67        0.02782   0.00010  -0.00142   0.00712   0.00575   0.03357
   D68        1.16299   0.00004  -0.00266   0.00077  -0.00186   1.16113
   D69       -2.02437   0.00013  -0.00181   0.00752   0.00573  -2.01864
   D70        2.95473  -0.00002   0.00125   0.00587   0.00705   2.96178
   D71       -0.13846  -0.00012   0.00033  -0.00132  -0.00102  -0.13948
   D72       -2.95995  -0.00008   0.00016  -0.00822  -0.00808  -2.96802
   D73        0.13488   0.00003   0.00097  -0.00129  -0.00037   0.13452
   D74        0.01161   0.00024  -0.00251   0.00698   0.00457   0.01618
   D75        0.26444   0.00002  -0.00542  -0.00274  -0.00804   0.25640
   D76       -1.04919  -0.00003   0.00075   0.00076   0.00150  -1.04769
   D77        1.07048   0.00000   0.00011   0.00153   0.00165   1.07213
   D78        3.09231   0.00007  -0.00073   0.00247   0.00175   3.09405
   D79       -3.13474  -0.00007   0.00028   0.00006   0.00035  -3.13439
   D80       -1.01506  -0.00003  -0.00037   0.00084   0.00050  -1.01456
   D81        1.00676   0.00004  -0.00120   0.00178   0.00060   1.00736
   D82        1.06045  -0.00003   0.00041   0.00070   0.00109   1.06154
   D83       -3.10306   0.00000  -0.00023   0.00148   0.00124  -3.10182
   D84       -1.08124   0.00007  -0.00107   0.00242   0.00134  -1.07990
   D85        0.01402  -0.00005  -0.01152  -0.00947  -0.02097  -0.00695
   D86        3.11252  -0.00004  -0.01734  -0.00497  -0.02228   3.09024
   D87       -2.10461  -0.00002  -0.01169  -0.00996  -0.02166  -2.12626
   D88        0.99389  -0.00001  -0.01752  -0.00546  -0.02297   0.97093
   D89        2.15235  -0.00011  -0.01071  -0.01108  -0.02179   2.13056
   D90       -1.03234  -0.00010  -0.01654  -0.00657  -0.02310  -1.05543
   D91        3.09477   0.00023  -0.00488   0.00648   0.00162   3.09639
   D92       -0.00993   0.00013  -0.00420   0.00624   0.00204  -0.00789
   D93       -0.00920   0.00023   0.00021   0.00256   0.00279  -0.00641
   D94       -3.11391   0.00012   0.00089   0.00232   0.00322  -3.11069
   D95       -3.09706  -0.00029   0.00361  -0.00812  -0.00456  -3.10162
   D96        0.01394  -0.00010   0.00508  -0.00320   0.00186   0.01580
   D97        0.01195  -0.00029  -0.00077  -0.00472  -0.00551   0.00644
   D98        3.12295  -0.00009   0.00070   0.00020   0.00090   3.12386
   D99        0.00311  -0.00008   0.00044   0.00054   0.00096   0.00407
   D100      -2.91212  -0.00006   0.00371   0.00775   0.01144  -2.90068
   D101       3.11105   0.00001  -0.00018   0.00074   0.00057   3.11161
   D102       0.19582   0.00004   0.00309   0.00795   0.01105   0.20687
   D103      -0.01063   0.00025   0.00110   0.00531   0.00642  -0.00421
   D104       3.09398   0.00013   0.00280   0.00309   0.00592   3.09990
   D105      -3.12154   0.00006  -0.00038   0.00038  -0.00001  -3.12155
   D106      -0.01693  -0.00006   0.00133  -0.00184  -0.00051  -0.01744
   D107       0.00464  -0.00010  -0.00094  -0.00357  -0.00450   0.00013
   D108       2.91819  -0.00017  -0.00445  -0.01106  -0.01547   2.90272
   D109      -3.10005   0.00002  -0.00266  -0.00136  -0.00403  -3.10407
   D110      -0.18649  -0.00005  -0.00617  -0.00885  -0.01500  -0.20149
   D111      -0.49646  -0.00005   0.01382   0.00718   0.02081  -0.47565
   D112      -2.04945  -0.00013   0.01007  -0.00038   0.01024  -2.03920
   D113       1.15697  -0.00002   0.01611   0.01524   0.03079   1.18776
   D114       2.75563   0.00002   0.01585   0.01123   0.02731   2.78294
   D115       2.27018  -0.00005   0.01900   0.00462   0.02368   2.29387
   D116       2.91482   0.00002   0.01778   0.01589   0.03345   2.94827
   D117       1.36184  -0.00006   0.01402   0.00833   0.02288   1.38472
   D118      -1.71493   0.00005   0.02006   0.02395   0.04343  -1.67150
   D119      -0.11627   0.00009   0.01980   0.01994   0.03995  -0.07632
   D120      -0.60172   0.00002   0.02295   0.01333   0.03632  -0.56539
   D121      -1.05708  -0.00001   0.00097   0.00014   0.00125  -1.05582
   D122       3.10008  -0.00003   0.00159   0.00010   0.00174   3.10182
   D123       1.07550   0.00001   0.00199   0.00018   0.00227   1.07777
   D124       1.05162   0.00001   0.00056   0.00046   0.00108   1.05270
   D125      -1.07441  -0.00001   0.00119   0.00042   0.00156  -1.07285
   D126      -3.09899   0.00002   0.00158   0.00051   0.00209  -3.09690
   D127      -3.13912   0.00000   0.00024   0.00038   0.00057  -3.13855
   D128       1.01803  -0.00001   0.00086   0.00034   0.00106   1.01909
   D129      -1.00654   0.00002   0.00126   0.00043   0.00159  -1.00496
   D130       0.31769   0.00003   0.00213   0.01494   0.01693   0.33462
   D131      -2.81600  -0.00008   0.00184   0.01182   0.01345  -2.80255
   D132       2.44119   0.00006   0.00137   0.01530   0.01669   2.45787
   D133      -0.69250  -0.00004   0.00108   0.01218   0.01320  -0.67930
   D134      -1.80850   0.00005   0.00137   0.01505   0.01640  -1.79210
   D135       1.34099  -0.00006   0.00108   0.01193   0.01292   1.35391
   D136      -3.13136   0.00015   0.00358   0.00342   0.00682  -3.12454
   D137       0.00507   0.00006   0.00463   0.00338   0.00798   0.01306
   D138       0.00341   0.00024   0.00384   0.00612   0.00983   0.01324
   D139       3.13984   0.00016   0.00489   0.00608   0.01099  -3.13235
   D140       3.13352  -0.00019  -0.00460  -0.00422  -0.00864   3.12488
   D141       0.00681  -0.00009   0.00321  -0.00204   0.00122   0.00804
   D142      -0.00201  -0.00027  -0.00482  -0.00662  -0.01132  -0.01332
   D143      -3.12871  -0.00018   0.00299  -0.00444  -0.00145  -3.13016
   D144      -0.00361  -0.00012  -0.00146  -0.00340  -0.00474  -0.00835
   D145       2.95601  -0.00012   0.00153  -0.00140   0.00030   2.95631
   D146      -3.14050  -0.00004  -0.00241  -0.00336  -0.00580   3.13689
   D147      -0.18088  -0.00005   0.00057  -0.00136  -0.00076  -0.18164
   D148      -0.00017   0.00021   0.00416   0.00482   0.00893   0.00876
   D149      -3.11030   0.00000   0.00652  -0.00086   0.00555  -3.10475
   D150       3.12650   0.00012  -0.00366   0.00264  -0.00097   3.12553
   D151       0.01636  -0.00009  -0.00131  -0.00304  -0.00435   0.01202
   D152       0.00227  -0.00006  -0.00167  -0.00091  -0.00262  -0.00035
   D153      -2.95964  -0.00014  -0.00474  -0.00262  -0.00751  -2.96715
   D154       3.11262   0.00015  -0.00402   0.00473   0.00072   3.11334
   D155       0.15071   0.00007  -0.00708   0.00302  -0.00417   0.14653
   D156      -1.45668   0.00000   0.00322   0.00748   0.01108  -1.44560
   D157       0.24207   0.00017   0.00353   0.00629   0.00976   0.25182
   D158       3.07489  -0.00024  -0.02264  -0.06613  -0.08905   2.98584
   D159       1.73742   0.00003   0.00134  -0.00115  -0.00029   1.73713
   D160      -3.10004  -0.00001   0.00174   0.00125   0.00274  -3.09730
   D161       1.47026   0.00003   0.00678   0.00967   0.01692   1.48719
   D162      -3.11417   0.00020   0.00709   0.00848   0.01560  -3.09857
   D163      -0.28135  -0.00021  -0.01908  -0.06395  -0.08320  -0.36456
   D164      -1.61882   0.00006   0.00490   0.00103   0.00555  -1.61327
   D165      -0.17309   0.00002   0.00530   0.00343   0.00859  -0.16451
   D166       1.84103  -0.00004  -0.00426  -0.01779  -0.02250   1.81854
   D167      -0.59108   0.00001  -0.00167  -0.00047  -0.00258  -0.59366
   D168       0.13427  -0.00021  -0.00374  -0.01553  -0.01943   0.11484
   D169      -2.29785  -0.00016  -0.00116   0.00180   0.00049  -2.29736
   D170      -2.70298   0.00020   0.02188   0.05574   0.07784  -2.62515
   D171       1.14808   0.00025   0.02447   0.07306   0.09776   1.24584
   D172      -1.37713  -0.00010  -0.00248  -0.00989  -0.01197  -1.38910
   D173       2.47394  -0.00004   0.00011   0.00743   0.00794   2.48189
   D174      -2.81176  -0.00003  -0.00268  -0.01199  -0.01441  -2.82617
   D175       1.03931   0.00002  -0.00009   0.00533   0.00550   1.04482
   D176       0.90658   0.00007   0.01757   0.06635   0.08380   0.99038
   D177       3.06459  -0.00001  -0.00845  -0.00008  -0.00844   3.05614
   D178       1.31748   0.00011  -0.00730  -0.00188  -0.00925   1.30823
   D179      -1.61526   0.00018  -0.01051  -0.00227  -0.01264  -1.62790
   D180      -0.17828  -0.00011  -0.00853  -0.00364  -0.01207  -0.19036
   D181       2.07064  -0.00007   0.00795   0.00626   0.01460   2.08524
   D182      -0.69855  -0.00009   0.00296   0.00912   0.01217  -0.68637
   D183      -2.68773   0.00001   0.01188   0.01347   0.02494  -2.66279
   D184       0.43065  -0.00005   0.00555  -0.00124   0.00506   0.43571
   D185      -1.18760  -0.00015   0.00625   0.00274   0.00890  -1.17870
   D186      -2.48548   0.00009   0.00438   0.01260   0.01679  -2.46870
   D187       0.09513  -0.00006   0.00143  -0.00607  -0.00465   0.09047
   D188       2.13677  -0.00002   0.00180  -0.00466  -0.00273   2.13404
   D189      -0.39290   0.00007   0.00328   0.00872   0.01201  -0.38089
   D190       0.86885   0.00027   0.00826   0.00540   0.01351   0.88236
   D191      -2.29336   0.00027   0.00677   0.00807   0.01467  -2.27869
   D192       0.09152  -0.00014  -0.00198  -0.00404  -0.00615   0.08538
   D193      -3.09163  -0.00012   0.00183  -0.00171   0.00000  -3.09163
   D194      -3.03024  -0.00015  -0.00054  -0.00663  -0.00728  -3.03752
   D195       0.06979  -0.00013   0.00327  -0.00430  -0.00114   0.06866
   D196      -1.13213  -0.00001  -0.00195  -0.00772  -0.00966  -1.14178
   D197       0.91285   0.00003  -0.00240  -0.00715  -0.00953   0.90331
   D198       3.04112  -0.00007  -0.00117  -0.00837  -0.00953   3.03159
   D199       1.98992  -0.00001  -0.00339  -0.00520  -0.00860   1.98132
   D200      -2.24829   0.00003  -0.00384  -0.00463  -0.00847  -2.25677
   D201      -0.12002  -0.00007  -0.00261  -0.00585  -0.00847  -0.12850
   D202      -1.41462  -0.00015  -0.00179  -0.00931  -0.01121  -1.42582
   D203       0.61126  -0.00010  -0.00085  -0.01107  -0.01196   0.59930
   D204       2.68699  -0.00006  -0.00127  -0.00996  -0.01129   2.67570
   D205       1.76849  -0.00017  -0.00559  -0.01166  -0.01736   1.75112
   D206      -2.48883  -0.00013  -0.00465  -0.01342  -0.01811  -2.50694
   D207      -0.41309  -0.00008  -0.00507  -0.01231  -0.01745  -0.43054
   D208       0.67622   0.00018   0.00081   0.01228   0.01301   0.68923
   D209      -2.53175   0.00002   0.00155   0.01130   0.01282  -2.51893
   D210      -1.39852   0.00017  -0.00038   0.01438   0.01393  -1.38459
   D211       1.67670   0.00002   0.00036   0.01340   0.01373   1.69043
   D212       2.83163   0.00005   0.00133   0.01319   0.01445   2.84608
   D213      -0.37634  -0.00011   0.00207   0.01222   0.01426  -0.36208
   D214       0.99867   0.00006  -0.00130  -0.00581  -0.00710   0.99157
   D215      -2.07145   0.00017  -0.00201  -0.00493  -0.00699  -2.07844
   D216       0.00441  -0.00010   0.00738   0.00114   0.00850   0.01291
   D217      -2.91821  -0.00009  -0.00047  -0.00298  -0.00348  -2.92169
   D218       3.07730  -0.00021   0.00822   0.00018   0.00842   3.08573
   D219       0.15469  -0.00020   0.00037  -0.00394  -0.00356   0.15113
   D220      -2.38805   0.00016  -0.00994  -0.02447  -0.03441  -2.42246
   D221      -0.29607  -0.00006  -0.00937  -0.02717  -0.03654  -0.33261
   D222       1.78206  -0.00029  -0.00613  -0.02807  -0.03421   1.74785
   D223       0.96927   0.00020  -0.01782  -0.02833  -0.04614   0.92313
   D224       3.06125  -0.00002  -0.01725  -0.03102  -0.04827   3.01298
   D225      -1.14381  -0.00024  -0.01402  -0.03192  -0.04594  -1.18975
         Item               Value     Threshold  Converged?
 Maximum Force            0.000877     0.000450     NO 
 RMS     Force            0.000173     0.000300     YES
 Maximum Displacement     0.130419     0.001800     NO 
 RMS     Displacement     0.025341     0.001200     NO 
 Predicted change in Energy=-1.273651D-04
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.970718    2.602519    3.591026
      2          6           0       -3.239950    1.236074    3.662105
      3          6           0       -2.006539    1.162012    2.805069
      4          6           0       -1.641043    0.303620    1.778113
      5          7           0       -0.928023    2.051104    2.935933
      6          6           0        0.032505    1.713743    2.013294
      7          7           0       -0.366209    0.652920    1.296823
      8          6           0       -5.187697    0.962254    0.198167
      9          6           0       -5.882815   -0.098377   -0.682490
     10          6           0       -5.289341   -1.518591   -0.502849
     11          6           0       -3.818317   -1.546925   -0.912294
     12          8           0       -3.458787   -1.115827   -2.056515
     13          8           0       -2.943579   -1.996324   -0.006221
     14          6           0       -2.219904    4.252662   -2.978291
     15          6           0       -1.011254    3.775753   -3.811116
     16          6           0       -0.187341    2.720805   -3.120485
     17          6           0       -0.290407    2.096658   -1.886215
     18          7           0        0.920094    2.111942   -3.734637
     19          6           0        1.434730    1.161439   -2.886779
     20          7           0        0.719587    1.128728   -1.754065
     21          6           0        4.780152    3.950605    1.415495
     22          6           0        5.199984    2.583857    1.996535
     23          6           0        4.222700    1.492747    1.650397
     24          6           0        3.248934    1.395567    0.666592
     25          7           0        4.140092    0.279390    2.352993
     26          6           0        3.137121   -0.485840    1.801427
     27          7           0        2.580978    0.168324    0.776796
     28         30           0        0.787725   -0.409672   -0.251317
     29          1           0       -4.876189    2.581648    4.207872
     30          1           0       -4.264726    2.834051    2.560744
     31          1           0       -3.341787    3.424236    3.960861
     32          1           0       -3.920306    0.442347    3.335198
     33          1           0       -2.985527    1.015653    4.709847
     34          1           0       -2.204077   -0.517401    1.357545
     35          1           0       -0.874010    2.819036    3.592202
     36          1           0        0.965999    2.239148    1.898921
     37          1           0       -4.119685    1.035987   -0.041575
     38          1           0       -5.285804    0.711085    1.263789
     39          1           0       -5.639068    1.952737    0.043871
     40          1           0       -6.955782   -0.127393   -0.444721
     41          1           0       -5.786867    0.181013   -1.738929
     42          1           0       -5.383569   -1.859904    0.534524
     43          1           0       -5.840131   -2.220199   -1.144653
     44          1           0       -2.898767    3.420042   -2.757675
     45          1           0       -2.782961    5.011161   -3.532936
     46          1           0       -1.898763    4.698418   -2.028807
     47          1           0       -1.374985    3.374370   -4.769263
     48          1           0       -0.375734    4.640286   -4.057198
     49          1           0       -1.023360    2.249643   -1.112387
     50          1           0        1.266850    2.324962   -4.661467
     51          1           0        2.264964    0.512998   -3.111886
     52          1           0        4.720657    3.916706    0.320925
     53          1           0        3.802693    4.264278    1.803230
     54          1           0        5.512679    4.720197    1.682563
     55          1           0        5.289100    2.665040    3.089967
     56          1           0        6.201385    2.323091    1.623353
     57          1           0        2.984162    2.109174   -0.096058
     58          1           0        4.709843    0.021647    3.148963
     59          1           0        2.824979   -1.454376    2.156072
     60          8           0       -0.827739   -1.357021   -1.060117
     61          1           0       -1.212667   -1.054446   -1.910753
     62          1           0       -1.718004   -1.715775   -0.511481
     63          6           0        2.904590   -2.594579   -1.575394
     64          8           0        2.233539   -1.523100   -1.680901
     65          7           0        2.336444   -3.768782   -1.170000
     66          6           0        0.899563   -3.918506   -0.925136
     67          6           0        0.452129   -3.419244    0.457013
     68          8           0        0.953947   -2.354827    0.952721
     69          7           0       -0.535890   -4.120015    1.050356
     70          1           0        0.346234   -3.288720   -1.633587
     71          1           0        0.620555   -4.965752   -1.083369
     72          1           0        2.930568   -4.582085   -1.062023
     73          1           0       -0.910567   -4.927648    0.563126
     74          6           0       -1.282202   -3.658445    2.235850
     75          1           0       -1.433968   -4.495114    2.926406
     76          1           0       -0.702395   -2.877226    2.730692
     77          1           0       -2.246636   -3.248613    1.912447
     78          6           0        4.381769   -2.629971   -1.921961
     79          1           0        4.500433   -2.441138   -2.995681
     80          1           0        4.895402   -1.825300   -1.386629
     81          1           0        4.859630   -3.585214   -1.682103
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0967458      0.0725881      0.0661962
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4912.0180452291 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33683 LenP2D=  122106.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.42D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999988   -0.002986   -0.000821   -0.003688 Ang=  -0.55 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97554435     A.U. after   11 cycles
            NFock= 11  Conv=0.44D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33683 LenP2D=  122106.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000267290   -0.000274927    0.000082291
      3        6           0.000228674    0.000208024   -0.000489960
      4        6          -0.000291079    0.000218689    0.001085339
      5        7          -0.000280280   -0.000394069   -0.000177813
      6        6          -0.000004475    0.000206627    0.000156607
      7        7           0.000651854   -0.000086836   -0.000268294
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000157609    0.000393120   -0.000093363
     10        6          -0.000382136   -0.000284514    0.000328754
     11        6           0.000627510    0.000289612   -0.001023375
     12        8          -0.000693398    0.000045698    0.000572379
     13        8           0.000002112   -0.000457751   -0.000223002
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000109583   -0.000288744    0.000026714
     16        6           0.000466540    0.000484590    0.000130161
     17        6           0.000218537   -0.000229983   -0.000331631
     18        7          -0.000650416   -0.000043416   -0.000140802
     19        6           0.000459079   -0.000045506    0.000040754
     20        7          -0.000797605   -0.000519289    0.000150670
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000068445    0.000091674   -0.000049234
     23        6          -0.000703655    0.000268414   -0.000287862
     24        6           0.000144634   -0.000075322    0.000302846
     25        7           0.000793874   -0.000283749    0.000360506
     26        6          -0.000158813    0.000038126    0.000147760
     27        7          -0.000138199   -0.000178678   -0.001033757
     28       30           0.001653688    0.000263367    0.001181506
     29        1           0.000157353    0.000192782    0.000178959
     30        1          -0.000091171    0.000014748    0.000284865
     31        1          -0.000060344   -0.000001885   -0.000029086
     32        1          -0.000034639   -0.000022724    0.000100657
     33        1          -0.000074107    0.000025640    0.000000279
     34        1          -0.000002067   -0.000150323   -0.000022408
     35        1           0.000149074   -0.000024318   -0.000045506
     36        1          -0.000289236    0.000146739    0.000248192
     37        1          -0.000165656    0.000134292   -0.000039775
     38        1          -0.000256456    0.000047219   -0.000002797
     39        1          -0.000306196    0.000375092   -0.000044731
     40        1          -0.000023496   -0.000022234   -0.000124677
     41        1           0.000085674   -0.000054748    0.000017252
     42        1          -0.000060244   -0.000176286    0.000007468
     43        1          -0.000073968    0.000026374   -0.000057640
     44        1           0.000032963   -0.000192017    0.000002229
     45        1           0.000115879    0.000011585    0.000028992
     46        1          -0.000078433   -0.000086241    0.000152581
     47        1           0.000049451   -0.000095388    0.000090575
     48        1          -0.000093348    0.000036629    0.000075788
     49        1           0.000136624    0.000106615   -0.000053770
     50        1           0.000034985    0.000068806   -0.000034846
     51        1          -0.000058009    0.000080803   -0.000044856
     52        1          -0.000042454    0.000032546   -0.000072303
     53        1          -0.000333568    0.000049771   -0.000159745
     54        1          -0.000172255   -0.000004170    0.000045353
     55        1           0.000031584    0.000005640   -0.000012672
     56        1          -0.000031961   -0.000050877   -0.000038004
     57        1           0.000029020   -0.000008579    0.000090280
     58        1          -0.000034127    0.000092535   -0.000044308
     59        1          -0.000085977    0.000037418   -0.000183856
     60        8          -0.001396589    0.000199132   -0.000172185
     61        1           0.000793679   -0.000154371   -0.000023617
     62        1          -0.000341773    0.000347457    0.000315063
     63        6           0.000192206   -0.000112049    0.000275270
     64        8          -0.000225752   -0.000178644   -0.000535423
     65        7          -0.000253635   -0.000009274    0.000125962
     66        6           0.000323057    0.000268226   -0.000081635
     67        6          -0.000568319   -0.000372324    0.000208329
     68        8           0.000335329    0.000524893   -0.000613962
     69        7          -0.000349087    0.000908703   -0.000094752
     70        1          -0.000012244   -0.000062859    0.000061613
     71        1          -0.000042144   -0.000153577   -0.000094745
     72        1           0.000000397   -0.000008323    0.000063597
     73        1           0.000188253   -0.000222916   -0.000194567
     74        6           0.000485008    0.000344906    0.000012974
     75        1          -0.000168876   -0.000275570   -0.000023916
     76        1           0.000122434   -0.000184164    0.000105296
     77        1          -0.000208493   -0.000373255    0.000295322
     78        6           0.000269862    0.000149379   -0.000239258
     79        1          -0.000186359   -0.000007844    0.000113095
     80        1           0.000011490   -0.000057161    0.000060304
     81        1          -0.000001705    0.000016219    0.000030448
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001653688 RMS     0.000311266

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000969899 RMS     0.000189648
 Search for a local minimum.
 Step number  30 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   28   29   30
 DE= -1.10D-04 DEPred=-1.27D-04 R= 8.60D-01
 TightC=F SS=  1.41D+00  RLast= 3.03D-01 DXNew= 5.0454D+00 9.0973D-01
 Trust test= 8.60D-01 RLast= 3.03D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00072   0.00160   0.00179   0.00230   0.00230
     Eigenvalues ---    0.00232   0.00240   0.00377   0.00479   0.00530
     Eigenvalues ---    0.00560   0.00621   0.00649   0.00711   0.00750
     Eigenvalues ---    0.00773   0.00818   0.00843   0.00857   0.00970
     Eigenvalues ---    0.01169   0.01231   0.01293   0.01347   0.01429
     Eigenvalues ---    0.01520   0.01596   0.01696   0.01723   0.01755
     Eigenvalues ---    0.01828   0.01854   0.01878   0.01919   0.01941
     Eigenvalues ---    0.01992   0.02052   0.02146   0.02186   0.02249
     Eigenvalues ---    0.02289   0.02414   0.02473   0.02595   0.02735
     Eigenvalues ---    0.02830   0.03278   0.03664   0.03917   0.03954
     Eigenvalues ---    0.04071   0.04152   0.04300   0.04463   0.04568
     Eigenvalues ---    0.04657   0.04862   0.05038   0.05310   0.05347
     Eigenvalues ---    0.05373   0.05386   0.05413   0.05429   0.05492
     Eigenvalues ---    0.05502   0.05503   0.05534   0.05550   0.05580
     Eigenvalues ---    0.05905   0.06091   0.06879   0.06928   0.07043
     Eigenvalues ---    0.07489   0.07629   0.07697   0.07789   0.08316
     Eigenvalues ---    0.08765   0.09076   0.09300   0.09362   0.09506
     Eigenvalues ---    0.09675   0.10064   0.10407   0.10827   0.10903
     Eigenvalues ---    0.11970   0.12293   0.12564   0.12922   0.12995
     Eigenvalues ---    0.13041   0.13339   0.14572   0.14696   0.15197
     Eigenvalues ---    0.15687   0.15732   0.15893   0.15959   0.15976
     Eigenvalues ---    0.15985   0.15990   0.15993   0.15995   0.15996
     Eigenvalues ---    0.15998   0.15999   0.16000   0.16001   0.16003
     Eigenvalues ---    0.16004   0.16007   0.16010   0.16020   0.16022
     Eigenvalues ---    0.16036   0.16048   0.16072   0.16097   0.16110
     Eigenvalues ---    0.16161   0.16257   0.16309   0.16412   0.16533
     Eigenvalues ---    0.18241   0.18358   0.20494   0.20807   0.21227
     Eigenvalues ---    0.21919   0.22225   0.22322   0.22493   0.22774
     Eigenvalues ---    0.22972   0.23044   0.23341   0.23618   0.23902
     Eigenvalues ---    0.24101   0.24199   0.24457   0.25021   0.25257
     Eigenvalues ---    0.25377   0.27085   0.27390   0.27617   0.27865
     Eigenvalues ---    0.28212   0.28299   0.28648   0.29156   0.30277
     Eigenvalues ---    0.30806   0.31032   0.31544   0.31643   0.31928
     Eigenvalues ---    0.33554   0.33616   0.33628   0.33663   0.33671
     Eigenvalues ---    0.33779   0.33808   0.33853   0.33911   0.33921
     Eigenvalues ---    0.33933   0.33960   0.33984   0.33990   0.34007
     Eigenvalues ---    0.34031   0.34058   0.34086   0.34090   0.34131
     Eigenvalues ---    0.34164   0.34179   0.34191   0.34203   0.34260
     Eigenvalues ---    0.34294   0.34304   0.34583   0.35005   0.35309
     Eigenvalues ---    0.35762   0.36030   0.36232   0.36309   0.36393
     Eigenvalues ---    0.36487   0.36619   0.37544   0.39110   0.39446
     Eigenvalues ---    0.39741   0.42336   0.42631   0.42788   0.43851
     Eigenvalues ---    0.45294   0.45437   0.45462   0.45554   0.45584
     Eigenvalues ---    0.45616   0.45646   0.46383   0.48959   0.49221
     Eigenvalues ---    0.49512   0.49889   0.50141   0.52346   0.54557
     Eigenvalues ---    0.54886   0.55088   0.57721   0.66564   0.73158
     Eigenvalues ---    0.768661000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    30   29   28   27   26
 RFO step:  Lambda=-3.25620997D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.23679   -0.00978   -0.49152    0.30894   -0.04442
 Iteration  1 RMS(Cart)=  0.01800947 RMS(Int)=  0.00014459
 Iteration  2 RMS(Cart)=  0.00021347 RMS(Int)=  0.00005282
 Iteration  3 RMS(Cart)=  0.00000047 RMS(Int)=  0.00005282
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00008   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762  -0.00006   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00057   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00068   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00082   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969  -0.00035   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00025   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140  -0.00046   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00027   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00062   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00022   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468  -0.00014   0.00000   0.00000   0.00000   4.09468
    R1        2.93136  -0.00026   0.00016   0.00011   0.00017   2.93153
    R2        2.07079   0.00029  -0.00017   0.00052   0.00044   2.07123
    R3        2.07141  -0.00029   0.00055  -0.00023   0.00031   2.07172
    R4        2.07659   0.00001   0.00085  -0.00020   0.00063   2.07723
    R5        2.84170   0.00009   0.00046  -0.00048  -0.00010   2.84160
    R6        2.06988  -0.00008   0.00088  -0.00023   0.00065   2.07053
    R7        2.07963   0.00003   0.00069   0.00030   0.00099   2.08062
    R8        2.62193  -0.00035  -0.00007  -0.00027  -0.00037   2.62156
    R9        2.65290   0.00022   0.00010   0.00003   0.00011   2.65301
   R10        2.65831   0.00011  -0.00068   0.00023  -0.00048   2.65783
   R11        2.04227  -0.00010  -0.00023   0.00018  -0.00005   2.04222
   R12        2.59636  -0.00016   0.00070  -0.00083  -0.00019   2.59617
   R13        1.91164   0.00000   0.00005  -0.00001   0.00003   1.91167
   R14        2.53368   0.00009  -0.00006  -0.00007  -0.00013   2.53354
   R15        2.03577   0.00009  -0.00017   0.00019   0.00003   2.03580
   R16        4.16487   0.00056  -0.00576   0.00140  -0.00444   4.16043
   R17        2.91758   0.00037   0.00080  -0.00070   0.00018   2.91776
   R18        2.07316   0.00010  -0.00021   0.00045   0.00025   2.07341
   R19        2.07720   0.00003   0.00030  -0.00003   0.00025   2.07746
   R20        2.07750  -0.00049  -0.00002  -0.00046  -0.00051   2.07699
   R21        2.92846   0.00008   0.00073  -0.00083  -0.00007   2.92839
   R22        2.07752  -0.00005   0.00000   0.00000   0.00000   2.07752
   R23        2.07296   0.00002  -0.00018   0.00013  -0.00005   2.07291
   R24        2.88600  -0.00036  -0.00025  -0.00016  -0.00040   2.88560
   R25        2.07140  -0.00008   0.00006  -0.00003   0.00003   2.07143
   R26        2.07658   0.00003   0.00002   0.00008   0.00009   2.07668
   R27        2.40846  -0.00054   0.00024   0.00009   0.00034   2.40879
   R28        2.52694   0.00005   0.00059  -0.00043   0.00015   2.52708
   R29        4.25506  -0.00044  -0.00948  -0.00536  -0.01483   4.24023
   R30        2.56058  -0.00031  -0.00022   0.00177   0.00155   2.56213
   R31        2.91648  -0.00018  -0.00032  -0.00008  -0.00041   2.91607
   R32        2.07249  -0.00017  -0.00002  -0.00017  -0.00020   2.07229
   R33        2.07008   0.00007   0.00006   0.00000   0.00004   2.07012
   R34        2.07298   0.00018   0.00014   0.00018   0.00035   2.07333
   R35        2.84636  -0.00003  -0.00038   0.00019  -0.00018   2.84618
   R36        2.07995  -0.00009  -0.00002  -0.00013  -0.00014   2.07980
   R37        2.08030  -0.00001   0.00015  -0.00006   0.00009   2.08038
   R38        2.62094  -0.00026  -0.00023  -0.00026  -0.00047   2.62047
   R39        2.65526   0.00042  -0.00009   0.00057   0.00047   2.65572
   R40        2.65534   0.00018   0.00012   0.00039   0.00053   2.65587
   R41        2.03480   0.00007  -0.00019   0.00031   0.00012   2.03492
   R42        2.59600  -0.00016  -0.00006  -0.00005  -0.00012   2.59588
   R43        1.91286  -0.00001   0.00003  -0.00003  -0.00001   1.91285
   R44        2.53219  -0.00010   0.00026  -0.00027   0.00000   2.53219
   R45        2.03568   0.00009   0.00002   0.00009   0.00011   2.03579
   R46        4.06602   0.00020   0.00322   0.00230   0.00554   4.07155
   R47        2.91647   0.00016   0.00017   0.00030   0.00048   2.91695
   R48        2.07248   0.00006  -0.00011   0.00017   0.00010   2.07258
   R49        2.07367  -0.00036   0.00014  -0.00059  -0.00051   2.07316
   R50        2.07026   0.00010  -0.00002   0.00024   0.00025   2.07051
   R51        2.84428   0.00002   0.00008   0.00012   0.00017   2.84445
   R52        2.07881  -0.00002   0.00001  -0.00004  -0.00003   2.07878
   R53        2.07876   0.00005   0.00000   0.00000  -0.00001   2.07875
   R54        2.62225   0.00001   0.00001   0.00006   0.00007   2.62232
   R55        2.65418  -0.00019   0.00011  -0.00043  -0.00033   2.65385
   R56        2.64861   0.00010  -0.00003   0.00011   0.00006   2.64867
   R57        2.03615  -0.00003   0.00005  -0.00012  -0.00006   2.03609
   R58        2.60189  -0.00009   0.00005  -0.00003   0.00001   2.60191
   R59        1.91284   0.00001   0.00002   0.00001   0.00003   1.91287
   R60        2.52623   0.00002   0.00019  -0.00013   0.00006   2.52629
   R61        2.03641   0.00002   0.00004  -0.00002   0.00003   2.03643
   R62        4.05603  -0.00023   0.00006  -0.00168  -0.00165   4.05438
   R63        3.85493  -0.00083  -0.00121  -0.00267  -0.00390   3.85102
   R64        4.38066   0.00026   0.00853   0.01605   0.02459   4.40526
   R65        4.33443   0.00013   0.00139  -0.00551  -0.00410   4.33032
   R66        1.85473   0.00032   0.00008   0.00068   0.00076   1.85549
   R67        2.08922  -0.00024   0.00057  -0.00340  -0.00284   2.08638
   R68        2.39743  -0.00004   0.00007  -0.00029  -0.00021   2.39722
   R69        2.58132   0.00013   0.00106   0.00006   0.00110   2.58241
   R70        2.86804  -0.00011  -0.00054  -0.00012  -0.00065   2.86739
   R71        2.76895   0.00013   0.00020  -0.00009   0.00008   2.76904
   R72        1.91423  -0.00001   0.00005   0.00000   0.00005   1.91428
   R73        2.90293  -0.00010   0.00056  -0.00079  -0.00024   2.90269
   R74        2.07415  -0.00001  -0.00017  -0.00003  -0.00020   2.07395
   R75        2.06975  -0.00011   0.00005  -0.00014  -0.00009   2.06966
   R76        2.41303  -0.00048  -0.00020   0.00041   0.00023   2.41326
   R77        2.54890   0.00023  -0.00009   0.00023   0.00014   2.54904
   R78        1.91791  -0.00001   0.00013  -0.00023  -0.00010   1.91781
   R79        2.78722   0.00043   0.00041   0.00073   0.00114   2.78836
   R80        2.07002  -0.00023   0.00010  -0.00062  -0.00052   2.06949
   R81        2.06262   0.00016   0.00005   0.00037   0.00043   2.06304
   R82        2.07240  -0.00021   0.00028  -0.00047  -0.00019   2.07222
   R83        2.07234  -0.00010   0.00013  -0.00011   0.00002   2.07237
   R84        2.06827   0.00008  -0.00005   0.00009   0.00004   2.06831
   R85        2.06869   0.00001   0.00007   0.00008   0.00016   2.06884
    A1        1.92484  -0.00014   0.00005  -0.00104  -0.00099   1.92385
    A2        1.93424   0.00015  -0.00005   0.00111   0.00110   1.93533
    A3        1.95375  -0.00009  -0.00029   0.00004  -0.00021   1.95354
    A4        1.88755   0.00002   0.00024  -0.00005   0.00014   1.88769
    A5        1.87309   0.00009   0.00007   0.00011   0.00014   1.87323
    A6        1.88799  -0.00004   0.00001  -0.00020  -0.00018   1.88781
    A7        1.98632   0.00027   0.00042  -0.00043  -0.00017   1.98615
    A8        1.90926  -0.00011  -0.00019   0.00037   0.00024   1.90950
    A9        1.90601   0.00001  -0.00012   0.00093   0.00086   1.90687
   A10        1.87935  -0.00004   0.00051  -0.00036   0.00019   1.87955
   A11        1.92103  -0.00016  -0.00078  -0.00016  -0.00090   1.92013
   A12        1.85731   0.00001   0.00016  -0.00036  -0.00023   1.85708
   A13        2.30282   0.00002  -0.00017   0.00093   0.00079   2.30362
   A14        2.14816   0.00006   0.00020  -0.00092  -0.00078   2.14737
   A15        1.83220  -0.00008  -0.00003  -0.00001  -0.00001   1.83219
   A16        1.91595   0.00020   0.00019  -0.00026  -0.00009   1.91587
   A17        2.24057  -0.00005   0.00010   0.00032   0.00042   2.24099
   A18        2.12661  -0.00015  -0.00032  -0.00008  -0.00039   2.12622
   A19        1.89545   0.00000  -0.00017   0.00026   0.00007   1.89552
   A20        2.19231  -0.00008  -0.00040  -0.00041  -0.00081   2.19151
   A21        2.19534   0.00008   0.00063   0.00014   0.00077   2.19610
   A22        1.92328   0.00007  -0.00025  -0.00009  -0.00033   1.92294
   A23        2.16197  -0.00009   0.00038  -0.00015   0.00022   2.16219
   A24        2.19794   0.00002  -0.00012   0.00024   0.00011   2.19805
   A25        1.85786  -0.00019   0.00026   0.00012   0.00038   1.85824
   A26        2.20819   0.00056  -0.00176   0.00046  -0.00131   2.20688
   A27        2.21571  -0.00038   0.00126  -0.00058   0.00052   2.21623
   A28        1.93888  -0.00021   0.00017  -0.00050  -0.00036   1.93852
   A29        1.93458   0.00005   0.00000  -0.00011  -0.00012   1.93446
   A30        1.93267   0.00005  -0.00006   0.00023   0.00017   1.93284
   A31        1.89030  -0.00006  -0.00027  -0.00038  -0.00064   1.88966
   A32        1.88439   0.00012   0.00013   0.00020   0.00035   1.88474
   A33        1.88104   0.00006   0.00002   0.00057   0.00063   1.88166
   A34        1.97256  -0.00013   0.00068  -0.00102  -0.00030   1.97225
   A35        1.91153   0.00013  -0.00082   0.00045  -0.00039   1.91114
   A36        1.91238  -0.00004   0.00041   0.00006   0.00048   1.91286
   A37        1.90129  -0.00002   0.00004  -0.00014  -0.00011   1.90117
   A38        1.88763   0.00014  -0.00037   0.00084   0.00046   1.88809
   A39        1.87588  -0.00007   0.00004  -0.00016  -0.00011   1.87577
   A40        1.93350   0.00049  -0.00015   0.00274   0.00263   1.93613
   A41        1.94137  -0.00019  -0.00008  -0.00074  -0.00085   1.94052
   A42        1.90231  -0.00004   0.00053  -0.00039   0.00015   1.90246
   A43        1.90790  -0.00022   0.00025  -0.00079  -0.00055   1.90735
   A44        1.89058  -0.00016  -0.00036  -0.00090  -0.00128   1.88930
   A45        1.88688   0.00012  -0.00020   0.00001  -0.00018   1.88670
   A46        2.10150   0.00070  -0.00074   0.00222   0.00151   2.10301
   A47        2.04279  -0.00061   0.00086  -0.00161  -0.00077   2.04203
   A48        2.13823  -0.00010  -0.00018  -0.00067  -0.00086   2.13738
   A49        1.80544   0.00003   0.00099   0.00109   0.00208   1.80753
   A50        1.84359   0.00045  -0.00087   0.00034  -0.00054   1.84306
   A51        1.93769   0.00011   0.00025   0.00017   0.00043   1.93812
   A52        1.92120   0.00012  -0.00006   0.00053   0.00048   1.92168
   A53        1.94268  -0.00011  -0.00036  -0.00028  -0.00066   1.94202
   A54        1.88532  -0.00012   0.00027  -0.00040  -0.00011   1.88521
   A55        1.89188   0.00001   0.00001   0.00012   0.00012   1.89201
   A56        1.88321  -0.00002  -0.00011  -0.00016  -0.00028   1.88293
   A57        1.97946  -0.00041  -0.00061  -0.00107  -0.00165   1.97781
   A58        1.90037   0.00002   0.00030   0.00035   0.00062   1.90099
   A59        1.90716   0.00020  -0.00015   0.00002  -0.00011   1.90705
   A60        1.90128   0.00024   0.00026   0.00101   0.00126   1.90254
   A61        1.91426   0.00002  -0.00011  -0.00043  -0.00055   1.91371
   A62        1.85727  -0.00004   0.00038   0.00021   0.00059   1.85787
   A63        2.32209  -0.00027  -0.00011  -0.00017  -0.00026   2.32183
   A64        2.13437   0.00027  -0.00006   0.00047   0.00037   2.13473
   A65        1.82610   0.00000   0.00023  -0.00012   0.00011   1.82621
   A66        1.91800   0.00003   0.00003   0.00026   0.00028   1.91829
   A67        2.24746  -0.00006  -0.00027  -0.00014  -0.00041   2.24705
   A68        2.11712   0.00003   0.00022  -0.00006   0.00015   2.11728
   A69        1.90214  -0.00013  -0.00019  -0.00024  -0.00043   1.90171
   A70        2.18831   0.00006   0.00006   0.00006   0.00011   2.18842
   A71        2.19246   0.00007   0.00015   0.00016   0.00030   2.19276
   A72        1.91631   0.00015   0.00018   0.00042   0.00061   1.91692
   A73        2.18492  -0.00005  -0.00010   0.00022   0.00011   2.18503
   A74        2.18129  -0.00010  -0.00004  -0.00057  -0.00062   2.18068
   A75        1.86220  -0.00006  -0.00024  -0.00033  -0.00058   1.86162
   A76        2.19071   0.00006  -0.00095  -0.00040  -0.00135   2.18936
   A77        2.20302  -0.00003   0.00022  -0.00022  -0.00005   2.20298
   A78        1.94243  -0.00005   0.00013  -0.00012   0.00000   1.94242
   A79        1.94167  -0.00005  -0.00013  -0.00042  -0.00052   1.94114
   A80        1.92670  -0.00017  -0.00015  -0.00030  -0.00047   1.92623
   A81        1.88932   0.00006   0.00007   0.00021   0.00029   1.88961
   A82        1.87684   0.00009   0.00009   0.00007   0.00013   1.87697
   A83        1.88458   0.00014   0.00000   0.00061   0.00063   1.88521
   A84        1.95927   0.00009  -0.00003  -0.00012  -0.00022   1.95905
   A85        1.90805  -0.00001  -0.00003  -0.00035  -0.00040   1.90766
   A86        1.90694  -0.00008   0.00004  -0.00011  -0.00001   1.90693
   A87        1.91207  -0.00004  -0.00031  -0.00013  -0.00042   1.91165
   A88        1.91901   0.00001   0.00032   0.00059   0.00093   1.91994
   A89        1.85558   0.00003   0.00001   0.00013   0.00013   1.85571
   A90        2.30428  -0.00013  -0.00050  -0.00032  -0.00086   2.30342
   A91        2.15245   0.00017   0.00040   0.00054   0.00094   2.15339
   A92        1.82645  -0.00003   0.00010  -0.00023  -0.00012   1.82633
   A93        1.91772   0.00002  -0.00001   0.00028   0.00026   1.91798
   A94        2.24962  -0.00004   0.00000  -0.00020  -0.00021   2.24941
   A95        2.11584   0.00003   0.00004  -0.00007  -0.00004   2.11580
   A96        1.89925   0.00011  -0.00009   0.00021   0.00012   1.89937
   A97        2.18980   0.00004   0.00008   0.00014   0.00025   2.19005
   A98        2.19384  -0.00014  -0.00002  -0.00029  -0.00029   2.19355
   A99        1.91572   0.00000   0.00002   0.00012   0.00013   1.91585
   A100       2.18791   0.00007  -0.00016   0.00029   0.00014   2.18804
   A101       2.17919  -0.00008   0.00013  -0.00039  -0.00025   2.17894
   A102       1.86552  -0.00009   0.00001  -0.00034  -0.00032   1.86520
   A103       2.20968   0.00039  -0.00066   0.00020  -0.00049   2.20919
   A104       2.19314  -0.00030   0.00073   0.00002   0.00077   2.19391
   A105       1.70046   0.00019  -0.00105  -0.00126  -0.00229   1.69816
   A106       1.54193  -0.00009   0.00259   0.00445   0.00726   1.54919
   A107       1.65869   0.00017   0.00218   0.00689   0.00919   1.66788
   A108       3.00967  -0.00010  -0.00021   0.00037  -0.00034   3.00933
   A109       1.64895   0.00002   0.00322   0.00483   0.00804   1.65699
   A110       1.74007  -0.00012  -0.00055  -0.00221  -0.00295   1.73712
   A111       1.60085   0.00030  -0.00064   0.00040  -0.00047   1.60039
   A112       1.50320  -0.00015  -0.00181  -0.00474  -0.00657   1.49663
   A113       2.91872  -0.00021  -0.00226  -0.00335  -0.00564   2.91308
   A114       2.92489  -0.00022  -0.00067  -0.00263  -0.00360   2.92129
   A115       1.47430  -0.00001  -0.00413  -0.00609  -0.01028   1.46402
   A116       1.48708   0.00020   0.00084   0.00153   0.00246   1.48953
   A117       1.59715  -0.00010  -0.00001  -0.00397  -0.00423   1.59292
   A118       1.44213  -0.00041  -0.00062  -0.00212  -0.00262   1.43951
   A119       1.44164  -0.00004  -0.00006   0.00147   0.00142   1.44305
   A120       2.10719  -0.00018   0.00029  -0.00086  -0.00059   2.10661
   A121       2.20389   0.00000  -0.00108  -0.00891  -0.01011   2.19378
   A122       1.78679   0.00009  -0.00038   0.00022  -0.00012   1.78666
   A123       2.02520   0.00012   0.00226   0.00070   0.00292   2.02812
   A124       2.94415  -0.00063  -0.00167  -0.00057  -0.00226   2.94188
   A125       2.13020   0.00029  -0.00112   0.00012  -0.00099   2.12921
   A126       2.11242   0.00002   0.00093   0.00048   0.00140   2.11382
   A127       2.04041  -0.00031   0.00021  -0.00061  -0.00040   2.04002
   A128       2.32440  -0.00049  -0.00244  -0.00590  -0.00829   2.31610
   A129       2.14755   0.00008  -0.00145  -0.00072  -0.00219   2.14536
   A130       2.06901  -0.00004   0.00100   0.00029   0.00129   2.07030
   A131       2.06610  -0.00004   0.00058   0.00035   0.00092   2.06703
   A132       1.98534  -0.00043  -0.00049  -0.00067  -0.00119   1.98415
   A133       1.90484   0.00006  -0.00050   0.00024  -0.00025   1.90460
   A134       1.90008   0.00008   0.00064   0.00016   0.00080   1.90088
   A135       1.82082   0.00013   0.00023  -0.00102  -0.00079   1.82003
   A136       1.94609   0.00020  -0.00012   0.00101   0.00091   1.94700
   A137       1.90388  -0.00003   0.00021   0.00026   0.00048   1.90436
   A138       2.10103   0.00003  -0.00051   0.00087   0.00038   2.10141
   A139       2.02672   0.00062   0.00085   0.00071   0.00155   2.02827
   A140       2.15337  -0.00066  -0.00045  -0.00170  -0.00216   2.15121
   A141       2.06537   0.00035  -0.00237   0.00668   0.00432   2.06969
   A142       2.06312   0.00033   0.00012   0.00011   0.00024   2.06336
   A143       2.16715  -0.00097  -0.00043  -0.00222  -0.00263   2.16452
   A144       2.03543   0.00060   0.00066   0.00103   0.00171   2.03713
   A145       1.91535  -0.00005  -0.00040  -0.00062  -0.00101   1.91434
   A146       1.89609   0.00000  -0.00005   0.00008   0.00003   1.89613
   A147       1.90171   0.00033   0.00070  -0.00002   0.00068   1.90239
   A148       1.91184  -0.00006  -0.00067  -0.00012  -0.00079   1.91105
   A149       1.92783   0.00014   0.00064   0.00123   0.00188   1.92971
   A150       1.91068  -0.00036  -0.00023  -0.00058  -0.00081   1.90986
   A151       1.90168   0.00031   0.00047   0.00147   0.00194   1.90362
   A152       1.90491  -0.00010  -0.00034  -0.00055  -0.00089   1.90402
   A153       1.97706  -0.00007  -0.00029  -0.00016  -0.00045   1.97661
   A154       1.87708  -0.00008   0.00010  -0.00043  -0.00032   1.87676
   A155       1.89394  -0.00008  -0.00004  -0.00024  -0.00028   1.89367
   A156       1.90659   0.00002   0.00012  -0.00011   0.00001   1.90660
    D1        3.10794   0.00005   0.00105   0.00050   0.00156   3.10949
    D2        1.00520   0.00000   0.00025   0.00098   0.00125   1.00645
    D3       -1.02108   0.00004   0.00024   0.00069   0.00091  -1.02017
    D4        1.01831   0.00001   0.00075   0.00053   0.00132   1.01963
    D5       -1.08443  -0.00004  -0.00005   0.00101   0.00102  -1.08341
    D6       -3.11071   0.00000  -0.00006   0.00071   0.00067  -3.11003
    D7       -1.09113   0.00001   0.00098  -0.00002   0.00092  -1.09020
    D8        3.08932  -0.00004   0.00018   0.00046   0.00062   3.08994
    D9        1.06304   0.00000   0.00017   0.00017   0.00028   1.06332
   D10       -2.13754   0.00003   0.00194   0.00105   0.00300  -2.13454
   D11        1.00336   0.00011   0.00286   0.00260   0.00545   1.00881
   D12       -0.01808   0.00004   0.00234   0.00098   0.00332  -0.01476
   D13        3.12282   0.00012   0.00326   0.00254   0.00578   3.12860
   D14        1.99967  -0.00005   0.00240   0.00027   0.00269   2.00235
   D15       -1.14261   0.00002   0.00331   0.00182   0.00514  -1.13748
   D16       -3.13608  -0.00008   0.00049  -0.00004   0.00042  -3.13565
   D17        0.01711   0.00014   0.00276   0.00175   0.00452   0.02163
   D18        0.00611  -0.00015  -0.00031  -0.00139  -0.00170   0.00441
   D19       -3.12388   0.00008   0.00197   0.00040   0.00239  -3.12149
   D20        3.14012  -0.00010  -0.00263  -0.00041  -0.00301   3.13710
   D21       -0.01446  -0.00002   0.00053  -0.00094  -0.00040  -0.01486
   D22       -0.00201  -0.00004  -0.00192   0.00079  -0.00113  -0.00314
   D23        3.12660   0.00004   0.00124   0.00026   0.00149   3.12809
   D24       -0.00803   0.00029   0.00244   0.00148   0.00394  -0.00408
   D25        3.07912   0.00019  -0.00486   0.00147  -0.00332   3.07580
   D26        3.12286   0.00008   0.00036  -0.00017   0.00017   3.12304
   D27       -0.07318  -0.00002  -0.00694  -0.00018  -0.00708  -0.08026
   D28       -0.00301   0.00022   0.00360   0.00011   0.00371   0.00070
   D29        3.13939   0.00015   0.00205   0.00184   0.00390  -3.13990
   D30       -3.13159   0.00015   0.00045   0.00065   0.00110  -3.13049
   D31        0.01081   0.00008  -0.00110   0.00238   0.00129   0.01210
   D32        0.00668  -0.00031  -0.00368  -0.00096  -0.00465   0.00203
   D33       -3.08016  -0.00025   0.00367  -0.00099   0.00273  -3.07742
   D34       -3.13574  -0.00024  -0.00209  -0.00273  -0.00485  -3.14059
   D35        0.06061  -0.00018   0.00526  -0.00277   0.00254   0.06314
   D36        1.97150   0.00015   0.00282   0.00988   0.01267   1.98418
   D37       -2.57392   0.00002   0.00261   0.00823   0.01063  -2.56328
   D38        0.35878  -0.00019   0.00326   0.00867   0.01215   0.37093
   D39       -2.25745   0.00005  -0.02303  -0.04037  -0.06343  -2.32088
   D40       -1.08940   0.00021   0.00352   0.00995   0.01346  -1.07594
   D41       -1.23544   0.00006  -0.00595   0.00990   0.00394  -1.23151
   D42        0.50232  -0.00008  -0.00616   0.00824   0.00190   0.50422
   D43       -2.84817  -0.00029  -0.00551   0.00869   0.00341  -2.84476
   D44        0.81878  -0.00005  -0.03180  -0.04036  -0.07217   0.74661
   D45        1.98684   0.00011  -0.00525   0.00997   0.00472   1.99155
   D46        1.05091  -0.00002   0.00139   0.00354   0.00492   1.05583
   D47       -3.10908  -0.00005   0.00130   0.00299   0.00429  -3.10480
   D48       -1.05545  -0.00008   0.00112   0.00310   0.00420  -1.05125
   D49       -1.05165   0.00016   0.00161   0.00441   0.00605  -1.04560
   D50        1.07154   0.00014   0.00153   0.00387   0.00542   1.07696
   D51        3.12518   0.00010   0.00135   0.00398   0.00533   3.13051
   D52       -3.13845   0.00002   0.00162   0.00362   0.00523  -3.13322
   D53       -1.01526   0.00000   0.00154   0.00307   0.00460  -1.01066
   D54        1.03838  -0.00003   0.00136   0.00318   0.00452   1.04289
   D55       -1.07847   0.00010  -0.00291  -0.00270  -0.00562  -1.08409
   D56        1.04736   0.00003  -0.00275  -0.00232  -0.00509   1.04228
   D57        3.12615   0.00003  -0.00271  -0.00301  -0.00574   3.12042
   D58        3.07576   0.00004  -0.00234  -0.00249  -0.00483   3.07092
   D59       -1.08159  -0.00003  -0.00219  -0.00211  -0.00430  -1.08589
   D60        0.99720  -0.00003  -0.00215  -0.00280  -0.00495   0.99225
   D61        1.04191   0.00005  -0.00221  -0.00268  -0.00489   1.03702
   D62       -3.11544  -0.00002  -0.00205  -0.00231  -0.00436  -3.11980
   D63       -1.03665  -0.00002  -0.00201  -0.00300  -0.00501  -1.04166
   D64       -0.92450   0.00006   0.00376   0.00726   0.01100  -0.91349
   D65        2.17892  -0.00015   0.00235   0.00554   0.00787   2.18678
   D66       -3.06984   0.00012   0.00380   0.00692   0.01070  -3.05914
   D67        0.03357  -0.00009   0.00238   0.00520   0.00757   0.04114
   D68        1.16113   0.00019   0.00410   0.00785   0.01195   1.17308
   D69       -2.01864  -0.00002   0.00269   0.00614   0.00882  -2.00983
   D70        2.96178  -0.00029  -0.00200   0.00172  -0.00028   2.96150
   D71       -0.13948  -0.00006  -0.00052   0.00355   0.00302  -0.13646
   D72       -2.96802   0.00019   0.00169  -0.00405  -0.00230  -2.97033
   D73        0.13452   0.00000   0.00024  -0.00573  -0.00545   0.12907
   D74        0.01618   0.00009   0.00077   0.00357   0.00429   0.02047
   D75        0.25640  -0.00004  -0.00372   0.00209  -0.00168   0.25472
   D76       -1.04769  -0.00006   0.00020   0.00052   0.00075  -1.04694
   D77        1.07213  -0.00001   0.00035   0.00135   0.00171   1.07384
   D78        3.09405   0.00006   0.00089   0.00180   0.00270   3.09675
   D79       -3.13439  -0.00006  -0.00026   0.00057   0.00030  -3.13409
   D80       -1.01456  -0.00001  -0.00012   0.00139   0.00125  -1.01331
   D81        1.00736   0.00006   0.00042   0.00184   0.00224   1.00960
   D82        1.06154  -0.00004   0.00015   0.00060   0.00076   1.06230
   D83       -3.10182   0.00000   0.00029   0.00142   0.00171  -3.10011
   D84       -1.07990   0.00007   0.00083   0.00188   0.00270  -1.07720
   D85       -0.00695  -0.00011  -0.00885  -0.00094  -0.00981  -0.01676
   D86        3.09024  -0.00001  -0.00653   0.00532  -0.00124   3.08900
   D87       -2.12626  -0.00003  -0.00901  -0.00139  -0.01041  -2.13667
   D88        0.97093   0.00007  -0.00669   0.00487  -0.00183   0.96909
   D89        2.13056  -0.00013  -0.00955  -0.00197  -0.01153   2.11904
   D90       -1.05543  -0.00003  -0.00723   0.00429  -0.00295  -1.05839
   D91        3.09639   0.00018   0.00189   0.00615   0.00802   3.10441
   D92       -0.00789   0.00013   0.00275   0.00447   0.00722  -0.00067
   D93       -0.00641   0.00008  -0.00013   0.00067   0.00052  -0.00589
   D94       -3.11069   0.00004   0.00074  -0.00101  -0.00027  -3.11096
   D95       -3.10162  -0.00008  -0.00127  -0.00373  -0.00497  -3.10659
   D96        0.01580  -0.00011  -0.00083  -0.00470  -0.00552   0.01028
   D97        0.00644  -0.00001   0.00048   0.00099   0.00149   0.00794
   D98        3.12386  -0.00004   0.00093   0.00002   0.00095   3.12481
   D99        0.00407  -0.00013  -0.00028  -0.00211  -0.00238   0.00169
   D100      -2.90068  -0.00004   0.00396   0.00192   0.00590  -2.89478
   D101       3.11161  -0.00009  -0.00108  -0.00058  -0.00167   3.10995
   D102       0.20687   0.00000   0.00316   0.00345   0.00661   0.21348
   D103      -0.00421  -0.00007  -0.00069  -0.00239  -0.00308  -0.00729
   D104       3.09990  -0.00003   0.00041  -0.00048  -0.00009   3.09981
   D105      -3.12155  -0.00004  -0.00114  -0.00141  -0.00253  -3.12409
   D106      -0.01744   0.00001  -0.00004   0.00050   0.00046  -0.01698
   D107       0.00013   0.00012   0.00059   0.00273   0.00332   0.00345
   D108       2.90272   0.00005  -0.00388  -0.00137  -0.00527   2.89745
   D109      -3.10407   0.00007  -0.00050   0.00080   0.00031  -3.10376
   D110      -0.20149   0.00000  -0.00497  -0.00329  -0.00828  -0.20977
   D111      -0.47565  -0.00021   0.00370  -0.00520  -0.00147  -0.47712
   D112      -2.03920  -0.00013   0.00128  -0.00925  -0.00813  -2.04733
   D113       1.18776   0.00002   0.00576   0.00175   0.00765   1.19540
   D114       2.78294  -0.00011   0.00575  -0.00239   0.00325   2.78619
   D115       2.29387  -0.00009   0.00424   0.00037   0.00457   2.29844
   D116       2.94827  -0.00010   0.00885  -0.00038   0.00852   2.95680
   D117       1.38472  -0.00003   0.00644  -0.00443   0.00186   1.38659
   D118      -1.67150   0.00012   0.01092   0.00657   0.01764  -1.65386
   D119      -0.07632  -0.00001   0.01090   0.00243   0.01324  -0.06307
   D120      -0.56539   0.00001   0.00939   0.00519   0.01456  -0.55083
   D121      -1.05582  -0.00002  -0.00018  -0.00090  -0.00113  -1.05695
   D122       3.10182  -0.00002   0.00025  -0.00041  -0.00018   3.10164
   D123       1.07777  -0.00001   0.00024  -0.00030  -0.00010   1.07766
   D124       1.05270  -0.00001  -0.00010  -0.00100  -0.00112   1.05158
   D125      -1.07285  -0.00001   0.00033  -0.00051  -0.00017  -1.07302
   D126      -3.09690   0.00000   0.00032  -0.00041  -0.00009  -3.09699
   D127      -3.13855   0.00001  -0.00029  -0.00071  -0.00098  -3.13953
   D128       1.01909   0.00001   0.00014  -0.00022  -0.00003   1.01906
   D129      -1.00496   0.00003   0.00013  -0.00012   0.00005  -1.00491
   D130       0.33462  -0.00009   0.00133   0.00823   0.00961   0.34423
   D131      -2.80255   0.00002   0.00513   0.01137   0.01658  -2.78597
   D132       2.45787  -0.00007   0.00105   0.00762   0.00867   2.46655
   D133      -0.67930   0.00004   0.00486   0.01076   0.01564  -0.66366
   D134      -1.79210  -0.00005   0.00107   0.00804   0.00912  -1.78298
   D135       1.35391   0.00006   0.00488   0.01118   0.01609   1.37000
   D136      -3.12454  -0.00020   0.00022   0.00041   0.00070  -3.12384
   D137       0.01306  -0.00003   0.00308   0.00206   0.00514   0.01820
   D138       0.01324  -0.00029  -0.00307  -0.00230  -0.00532   0.00792
   D139      -3.13235  -0.00012  -0.00021  -0.00065  -0.00087  -3.13322
   D140       3.12488   0.00024   0.00020  -0.00005   0.00008   3.12495
   D141       0.00804  -0.00005  -0.00076  -0.00271  -0.00349   0.00455
   D142      -0.01332   0.00032   0.00312   0.00236   0.00544  -0.00789
   D143      -3.13016   0.00003   0.00217  -0.00030   0.00187  -3.12829
   D144      -0.00835   0.00015   0.00191   0.00140   0.00327  -0.00508
   D145       2.95631   0.00012   0.00245   0.00071   0.00309   2.95940
   D146       3.13689   0.00000  -0.00069  -0.00010  -0.00078   3.13610
   D147      -0.18164  -0.00003  -0.00014  -0.00079  -0.00096  -0.18260
   D148       0.00876  -0.00024  -0.00208  -0.00160  -0.00366   0.00510
   D149      -3.10475  -0.00026  -0.00174  -0.00261  -0.00432  -3.10907
   D150       3.12553   0.00005  -0.00113   0.00107  -0.00008   3.12545
   D151       0.01202   0.00003  -0.00079   0.00006  -0.00074   0.01128
   D152      -0.00035   0.00005   0.00013   0.00014   0.00028  -0.00007
   D153      -2.96715   0.00000  -0.00023   0.00080   0.00062  -2.96653
   D154       3.11334   0.00008  -0.00021   0.00116   0.00094   3.11428
   D155       0.14653   0.00002  -0.00057   0.00182   0.00128   0.14781
   D156      -1.44560  -0.00004   0.00691   0.00552   0.01243  -1.43317
   D157       0.25182   0.00013   0.00628   0.00500   0.01134   0.26316
   D158       2.98584  -0.00019  -0.01599  -0.04532  -0.06118   2.92465
   D159       1.73713  -0.00001   0.00376  -0.00068   0.00313   1.74026
   D160      -3.09730  -0.00007   0.00393   0.00111   0.00506  -3.09224
   D161       1.48719  -0.00004   0.00745   0.00467   0.01209   1.49927
   D162      -3.09857   0.00013   0.00681   0.00416   0.01099  -3.08758
   D163      -0.36456  -0.00019  -0.01545  -0.04617  -0.06153  -0.42609
   D164      -1.61327  -0.00001   0.00430  -0.00153   0.00279  -1.61048
   D165      -0.16451  -0.00007   0.00447   0.00027   0.00472  -0.15979
   D166       1.81854  -0.00004  -0.00814  -0.01244  -0.02057   1.79796
   D167      -0.59366   0.00008  -0.00623   0.00387  -0.00232  -0.59598
   D168       0.11484  -0.00026  -0.00711  -0.01150  -0.01861   0.09623
   D169      -2.29736  -0.00014  -0.00520   0.00481  -0.00036  -2.29771
   D170      -2.62515   0.00007   0.01484   0.03817   0.05293  -2.57222
   D171       1.24584   0.00019   0.01676   0.05448   0.07119   1.31703
   D172      -1.38910  -0.00012  -0.00529  -0.00665  -0.01191  -1.40101
   D173       2.48189   0.00000  -0.00337   0.00966   0.00635   2.48823
   D174      -2.82617  -0.00007  -0.00519  -0.00858  -0.01381  -2.83997
   D175       1.04482   0.00005  -0.00327   0.00773   0.00445   1.04927
   D176       0.99038   0.00003   0.02829   0.03697   0.06528   1.05565
   D177       3.05614  -0.00004   0.00269  -0.01281  -0.01011   3.04604
   D178       1.30823   0.00006   0.00271  -0.01162  -0.00882   1.29941
   D179      -1.62790   0.00026   0.00200  -0.01226  -0.01042  -1.63832
   D180      -0.19036  -0.00014   0.00136  -0.01380  -0.01244  -0.20279
   D181       2.08524   0.00000   0.00036   0.01227   0.01252   2.09775
   D182      -0.68637  -0.00013  -0.00004   0.00694   0.00688  -0.67949
   D183      -2.66279  -0.00007   0.00275   0.01645   0.01935  -2.64343
   D184       0.43571  -0.00015  -0.00142   0.00605   0.00441   0.44012
   D185      -1.17870  -0.00010  -0.00151   0.01000   0.00856  -1.17014
   D186      -2.46870   0.00018   0.00145   0.01116   0.01269  -2.45601
   D187       0.09047   0.00009  -0.00051  -0.00520  -0.00570   0.08477
   D188       2.13404  -0.00013   0.00283  -0.00846  -0.00569   2.12835
   D189      -0.38089   0.00006   0.00415   0.00516   0.00929  -0.37159
   D190       0.88236   0.00016   0.00225   0.00750   0.00975   0.89211
   D191      -2.27869   0.00015   0.00360   0.00705   0.01065  -2.26804
   D192       0.08538  -0.00004  -0.00435   0.00379  -0.00056   0.08482
   D193      -3.09163  -0.00007  -0.00080   0.00119   0.00039  -3.09124
   D194      -3.03752  -0.00003  -0.00565   0.00421  -0.00144  -3.03897
   D195       0.06866  -0.00006  -0.00211   0.00161  -0.00049   0.06817
   D196      -1.14178   0.00001  -0.00363  -0.00236  -0.00600  -1.14778
   D197       0.90331   0.00004  -0.00343  -0.00235  -0.00579   0.89753
   D198       3.03159  -0.00006  -0.00372  -0.00299  -0.00672   3.02486
   D199       1.98132   0.00001  -0.00237  -0.00278  -0.00515   1.97617
   D200      -2.25677   0.00003  -0.00217  -0.00277  -0.00494  -2.26171
   D201      -0.12850  -0.00007  -0.00247  -0.00341  -0.00588  -0.13437
   D202      -1.42582  -0.00008  -0.00310  -0.00649  -0.00957  -1.43540
   D203       0.59930  -0.00014  -0.00343  -0.00800  -0.01143   0.58787
   D204       2.67570  -0.00010  -0.00309  -0.00745  -0.01052   2.66518
   D205       1.75112  -0.00005  -0.00665  -0.00389  -0.01053   1.74060
   D206      -2.50694  -0.00011  -0.00698  -0.00540  -0.01239  -2.51932
   D207      -0.43054  -0.00007  -0.00664  -0.00485  -0.01148  -0.44202
   D208       0.68923   0.00004   0.00548   0.00274   0.00823   0.69746
   D209      -2.51893  -0.00009   0.00375   0.00070   0.00445  -2.51449
   D210      -1.38459   0.00011   0.00620   0.00346   0.00967  -1.37492
   D211       1.69043  -0.00003   0.00447   0.00142   0.00588   1.69631
   D212       2.84608  -0.00002   0.00586   0.00324   0.00911   2.85519
   D213      -0.36208  -0.00016   0.00413   0.00120   0.00533  -0.35676
   D214       0.99157  -0.00002  -0.00161  -0.00382  -0.00543   0.98614
   D215      -2.07844   0.00007   0.00020  -0.00172  -0.00153  -2.07996
   D216       0.01291  -0.00015   0.00246  -0.00257  -0.00012   0.01279
   D217      -2.92169   0.00000   0.00001   0.00360   0.00361  -2.91808
   D218       3.08573  -0.00026   0.00066  -0.00457  -0.00391   3.08182
   D219       0.15113  -0.00011  -0.00178   0.00160  -0.00018   0.15094
   D220      -2.42246   0.00004  -0.00943  -0.01600  -0.02543  -2.44789
   D221      -0.33261  -0.00006  -0.01051  -0.01646  -0.02697  -0.35958
   D222       1.74785  -0.00030  -0.01042  -0.01713  -0.02754   1.72031
   D223       0.92313   0.00022  -0.01177  -0.00983  -0.02160   0.90152
   D224       3.01298   0.00012  -0.01286  -0.01029  -0.02315   2.98984
   D225      -1.18975  -0.00012  -0.01276  -0.01096  -0.02372  -1.21346
         Item               Value     Threshold  Converged?
 Maximum Force            0.000970     0.000450     NO 
 RMS     Force            0.000177     0.000300     YES
 Maximum Displacement     0.088582     0.001800     NO 
 RMS     Displacement     0.018031     0.001200     NO 
 Predicted change in Energy=-6.240698D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -3.994358    2.587059    3.588827
      2          6           0       -3.247956    1.229512    3.669324
      3          6           0       -2.017513    1.161572    2.807621
      4          6           0       -1.647144    0.300537    1.784894
      5          7           0       -0.946318    2.060654    2.930738
      6          6           0        0.015492    1.725408    2.008810
      7          7           0       -0.377692    0.659369    1.297174
      8          6           0       -5.199161    0.943136    0.193395
      9          6           0       -5.881759   -0.125043   -0.688095
     10          6           0       -5.276682   -1.539627   -0.503121
     11          6           0       -3.805916   -1.561742   -0.913092
     12          8           0       -3.445996   -1.123567   -2.054698
     13          8           0       -2.930011   -2.010680   -0.007803
     14          6           0       -2.236476    4.244111   -2.976862
     15          6           0       -1.027394    3.771319   -3.811004
     16          6           0       -0.203246    2.716092   -3.121288
     17          6           0       -0.301534    2.097271   -1.884230
     18          7           0        0.904745    2.107784   -3.735553
     19          6           0        1.422710    1.161422   -2.885194
     20          7           0        0.712152    1.133161   -1.749479
     21          6           0        4.756053    3.965321    1.430427
     22          6           0        5.197591    2.594217    1.985191
     23          6           0        4.222963    1.499813    1.641580
     24          6           0        3.239273    1.405215    0.667392
     25          7           0        4.148820    0.283796    2.340165
     26          6           0        3.145780   -0.483403    1.791452
     27          7           0        2.578293    0.173939    0.775067
     28         30           0        0.780674   -0.405446   -0.242768
     29          1           0       -4.896042    2.561276    4.211425
     30          1           0       -4.297016    2.806175    2.558158
     31          1           0       -3.372443    3.419386    3.947634
     32          1           0       -3.920852    0.424768    3.352929
     33          1           0       -2.985531    1.021065    4.718095
     34          1           0       -2.204587   -0.526524    1.368798
     35          1           0       -0.897554    2.831890    3.583560
     36          1           0        0.945865    2.255722    1.891571
     37          1           0       -4.131817    1.028746   -0.045979
     38          1           0       -5.294148    0.689769    1.258918
     39          1           0       -5.661582    1.928280    0.039562
     40          1           0       -6.955212   -0.162881   -0.453800
     41          1           0       -5.784860    0.153148   -1.744736
     42          1           0       -5.367952   -1.876723    0.535909
     43          1           0       -5.822496   -2.248532   -1.141234
     44          1           0       -2.913789    3.410076   -2.757361
     45          1           0       -2.801381    5.002943   -3.529212
     46          1           0       -1.915081    4.688621   -2.026666
     47          1           0       -1.389928    3.372578   -4.770620
     48          1           0       -0.392308    4.637306   -4.053267
     49          1           0       -1.033245    2.251994   -1.109482
     50          1           0        1.249162    2.318244   -4.663835
     51          1           0        2.254032    0.513897   -3.109210
     52          1           0        4.678190    3.946042    0.336605
     53          1           0        3.782902    4.264364    1.839223
     54          1           0        5.486809    4.737323    1.695934
     55          1           0        5.304702    2.661515    3.077934
     56          1           0        6.194648    2.347498    1.591402
     57          1           0        2.965583    2.121822   -0.089226
     58          1           0        4.725773    0.023990    3.130273
     59          1           0        2.841771   -1.456030    2.141981
     60          8           0       -0.818296   -1.365431   -1.064143
     61          1           0       -1.207784   -1.056398   -1.910837
     62          1           0       -1.704679   -1.727096   -0.514161
     63          6           0        2.929912   -2.570006   -1.565691
     64          8           0        2.247003   -1.507261   -1.681587
     65          7           0        2.370644   -3.749606   -1.161670
     66          6           0        0.932663   -3.911424   -0.931101
     67          6           0        0.470413   -3.423065    0.449925
     68          8           0        0.953826   -2.353055    0.952155
     69          7           0       -0.513833   -4.135942    1.035229
     70          1           0        0.381575   -3.280205   -1.639860
     71          1           0        0.661987   -4.959356   -1.098664
     72          1           0        2.971776   -4.556416   -1.043964
     73          1           0       -0.877469   -4.945773    0.543413
     74          6           0       -1.273052   -3.680521    2.215646
     75          1           0       -1.442626   -4.524071    2.893124
     76          1           0       -0.691979   -2.912011    2.729055
     77          1           0       -2.227692   -3.255106    1.883757
     78          6           0        4.410815   -2.590268   -1.895664
     79          1           0        4.541129   -2.409802   -2.969484
     80          1           0        4.907799   -1.774385   -1.361550
     81          1           0        4.897418   -3.537332   -1.641028
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968655      0.0725782      0.0661387
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.8760920288 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122079.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999997   -0.000247    0.000367   -0.002356 Ang=  -0.27 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97563861     A.U. after   10 cycles
            NFock= 10  Conv=0.77D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122079.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000230395   -0.000059802    0.000038455
      3        6           0.000170674    0.000176488   -0.000315534
      4        6           0.000115295    0.000097066    0.000738956
      5        7          -0.000416335   -0.000164621   -0.000009013
      6        6           0.000230335   -0.000120498   -0.000002354
      7        7          -0.000015325    0.000398307   -0.000118342
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000037547    0.000386468   -0.000061593
     10        6          -0.000177118   -0.000132783    0.000143242
     11        6           0.000360813   -0.000396164   -0.000509732
     12        8          -0.000446076    0.000279997    0.000515801
     13        8           0.000219357   -0.000232970   -0.000237852
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000101285   -0.000160155    0.000077180
     16        6           0.000170127    0.000092321    0.000046716
     17        6           0.000136112   -0.000208930   -0.000101823
     18        7          -0.000352323    0.000184484   -0.000060502
     19        6          -0.000016765   -0.000299939    0.000217405
     20        7          -0.000347007   -0.000104200   -0.000094343
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000057888    0.000130305    0.000032465
     23        6          -0.000053930    0.000178040    0.000129601
     24        6          -0.000192221   -0.000058898   -0.000137401
     25        7           0.000296015   -0.000162910    0.000003369
     26        6          -0.000012777    0.000094703    0.000263389
     27        7           0.000091631   -0.000248192   -0.000566909
     28       30           0.001250690   -0.000210093    0.000718922
     29        1           0.000096366    0.000060005    0.000098547
     30        1          -0.000215759    0.000111178    0.000369245
     31        1           0.000021988    0.000162381   -0.000126316
     32        1          -0.000082121   -0.000201527    0.000187407
     33        1           0.000136968   -0.000108036   -0.000251152
     34        1          -0.000016007   -0.000104638   -0.000076479
     35        1           0.000072094   -0.000046708   -0.000061248
     36        1          -0.000208528    0.000090925    0.000166726
     37        1          -0.000122011    0.000134655   -0.000049698
     38        1          -0.000170523    0.000013579   -0.000042801
     39        1          -0.000224486    0.000249646   -0.000014879
     40        1          -0.000036897    0.000022782   -0.000126788
     41        1           0.000075767   -0.000083710    0.000017296
     42        1          -0.000091623   -0.000105343   -0.000057229
     43        1           0.000017694    0.000067239   -0.000029100
     44        1           0.000024662   -0.000126610   -0.000009114
     45        1           0.000099625    0.000005556    0.000019191
     46        1          -0.000019725   -0.000032111    0.000066220
     47        1           0.000028306   -0.000082574    0.000073598
     48        1          -0.000058057    0.000062341    0.000009253
     49        1           0.000081406    0.000086701   -0.000063557
     50        1           0.000040297    0.000117363   -0.000050779
     51        1          -0.000003022    0.000082756   -0.000037541
     52        1          -0.000034751    0.000022147   -0.000028721
     53        1          -0.000204809    0.000036828   -0.000096300
     54        1          -0.000093184    0.000033439   -0.000003963
     55        1          -0.000006671   -0.000002992   -0.000019214
     56        1           0.000016473   -0.000010125   -0.000053389
     57        1           0.000044189   -0.000004511    0.000051918
     58        1          -0.000057298    0.000065286   -0.000067795
     59        1          -0.000017806    0.000025164   -0.000074158
     60        8          -0.001382313   -0.000313592   -0.000269628
     61        1           0.000638660    0.000083385    0.000105257
     62        1          -0.000141848    0.000579851    0.000288512
     63        6           0.000343020    0.000222007    0.000247839
     64        8          -0.000333514   -0.000092710   -0.000543267
     65        7          -0.000085572   -0.000229724    0.000019492
     66        6           0.000013144    0.000313778    0.000142702
     67        6           0.000099479   -0.000355934    0.000263466
     68        8          -0.000051506    0.000246654   -0.000665787
     69        7          -0.000302015    0.000695249    0.000000971
     70        1           0.000003029   -0.000087732   -0.000018221
     71        1          -0.000033028   -0.000090062   -0.000048531
     72        1           0.000034286   -0.000035301    0.000027473
     73        1           0.000174710   -0.000125517   -0.000143830
     74        6           0.000176164    0.000173907    0.000069468
     75        1          -0.000068341   -0.000138983   -0.000034461
     76        1           0.000065659   -0.000112458    0.000022157
     77        1          -0.000135450   -0.000141462    0.000194684
     78        6           0.000041136    0.000048302   -0.000159441
     79        1          -0.000070014    0.000026858    0.000111253
     80        1          -0.000039515   -0.000057502    0.000037362
     81        1          -0.000000690   -0.000022005    0.000009610
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.001382313 RMS     0.000226763

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000639633 RMS     0.000140179
 Search for a local minimum.
 Step number  31 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   29   30   31
 DE= -9.43D-05 DEPred=-6.24D-05 R= 1.51D+00
 TightC=F SS=  1.41D+00  RLast= 2.10D-01 DXNew= 5.0454D+00 6.2899D-01
 Trust test= 1.51D+00 RLast= 2.10D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00070   0.00155   0.00182   0.00230   0.00230
     Eigenvalues ---    0.00232   0.00240   0.00379   0.00498   0.00530
     Eigenvalues ---    0.00555   0.00611   0.00655   0.00705   0.00742
     Eigenvalues ---    0.00777   0.00793   0.00840   0.00866   0.00973
     Eigenvalues ---    0.01174   0.01244   0.01290   0.01349   0.01428
     Eigenvalues ---    0.01510   0.01594   0.01695   0.01722   0.01750
     Eigenvalues ---    0.01818   0.01861   0.01880   0.01918   0.01939
     Eigenvalues ---    0.02004   0.02072   0.02151   0.02197   0.02262
     Eigenvalues ---    0.02297   0.02308   0.02504   0.02561   0.02747
     Eigenvalues ---    0.02896   0.03279   0.03658   0.03917   0.03955
     Eigenvalues ---    0.04105   0.04143   0.04253   0.04425   0.04547
     Eigenvalues ---    0.04652   0.04865   0.04988   0.05302   0.05344
     Eigenvalues ---    0.05375   0.05389   0.05402   0.05419   0.05437
     Eigenvalues ---    0.05500   0.05505   0.05527   0.05542   0.05558
     Eigenvalues ---    0.05894   0.06094   0.06859   0.06927   0.07035
     Eigenvalues ---    0.07483   0.07584   0.07692   0.07750   0.08313
     Eigenvalues ---    0.08678   0.08983   0.09270   0.09348   0.09491
     Eigenvalues ---    0.09691   0.10047   0.10389   0.10797   0.11007
     Eigenvalues ---    0.12047   0.12289   0.12593   0.12921   0.12932
     Eigenvalues ---    0.13017   0.13374   0.14520   0.14628   0.15154
     Eigenvalues ---    0.15486   0.15738   0.15887   0.15955   0.15976
     Eigenvalues ---    0.15980   0.15992   0.15993   0.15995   0.15998
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16001   0.16002
     Eigenvalues ---    0.16005   0.16009   0.16010   0.16011   0.16021
     Eigenvalues ---    0.16038   0.16044   0.16072   0.16101   0.16112
     Eigenvalues ---    0.16202   0.16245   0.16332   0.16401   0.16512
     Eigenvalues ---    0.17276   0.18385   0.20476   0.20728   0.21221
     Eigenvalues ---    0.21492   0.22182   0.22308   0.22469   0.22778
     Eigenvalues ---    0.22896   0.22994   0.23145   0.23579   0.23857
     Eigenvalues ---    0.24083   0.24239   0.24475   0.24702   0.25128
     Eigenvalues ---    0.25371   0.25956   0.27253   0.27654   0.27872
     Eigenvalues ---    0.28198   0.28255   0.28483   0.29161   0.30295
     Eigenvalues ---    0.30785   0.31029   0.31560   0.31690   0.31927
     Eigenvalues ---    0.33610   0.33622   0.33633   0.33665   0.33672
     Eigenvalues ---    0.33786   0.33815   0.33856   0.33887   0.33916
     Eigenvalues ---    0.33934   0.33955   0.33984   0.34000   0.34009
     Eigenvalues ---    0.34031   0.34051   0.34079   0.34087   0.34106
     Eigenvalues ---    0.34134   0.34177   0.34180   0.34194   0.34207
     Eigenvalues ---    0.34285   0.34305   0.34478   0.34631   0.35338
     Eigenvalues ---    0.35665   0.35765   0.36150   0.36237   0.36341
     Eigenvalues ---    0.36512   0.36551   0.38589   0.39095   0.39469
     Eigenvalues ---    0.39834   0.42303   0.42625   0.42774   0.43926
     Eigenvalues ---    0.45293   0.45384   0.45440   0.45509   0.45583
     Eigenvalues ---    0.45604   0.45644   0.46413   0.48944   0.49287
     Eigenvalues ---    0.49505   0.49846   0.49971   0.52366   0.54538
     Eigenvalues ---    0.54890   0.55093   0.57680   0.66616   0.73176
     Eigenvalues ---    0.766251000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    31   30   29   28   27
 RFO step:  Lambda=-2.21422079D-05.
 DidBck=F Rises=F RFO-DIIS coefs:    1.54849   -0.20590   -0.57138    0.01004    0.21875
 Iteration  1 RMS(Cart)=  0.01820474 RMS(Int)=  0.00017175
 Iteration  2 RMS(Cart)=  0.00023720 RMS(Int)=  0.00003439
 Iteration  3 RMS(Cart)=  0.00000022 RMS(Int)=  0.00003439
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00005   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762  -0.00003   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00034   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00047   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00062   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969  -0.00028   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00016   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140  -0.00026   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00011   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00038   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00025   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468  -0.00008   0.00000   0.00000   0.00000   4.09468
    R1        2.93153  -0.00035   0.00002  -0.00017  -0.00020   2.93133
    R2        2.07123   0.00015   0.00031   0.00026   0.00060   2.07184
    R3        2.07172  -0.00044   0.00044  -0.00072  -0.00028   2.07144
    R4        2.07723  -0.00020   0.00103  -0.00063   0.00039   2.07762
    R5        2.84160   0.00009   0.00041  -0.00005   0.00032   2.84192
    R6        2.07053  -0.00028   0.00110  -0.00064   0.00046   2.07099
    R7        2.08062  -0.00030   0.00117  -0.00065   0.00051   2.08113
    R8        2.62156  -0.00025  -0.00043  -0.00002  -0.00045   2.62111
    R9        2.65301   0.00027   0.00029   0.00032   0.00059   2.65360
   R10        2.65783   0.00021  -0.00052   0.00062   0.00009   2.65792
   R11        2.04222  -0.00004  -0.00028   0.00000  -0.00028   2.04194
   R12        2.59617  -0.00014   0.00026  -0.00053  -0.00030   2.59587
   R13        1.91167  -0.00001   0.00006  -0.00001   0.00005   1.91172
   R14        2.53354   0.00011  -0.00008   0.00012   0.00003   2.53357
   R15        2.03580   0.00007  -0.00006   0.00013   0.00007   2.03587
   R16        4.16043   0.00024   0.00055  -0.00524  -0.00472   4.15571
   R17        2.91776   0.00029   0.00095  -0.00030   0.00068   2.91844
   R18        2.07341   0.00006   0.00012   0.00029   0.00040   2.07381
   R19        2.07746  -0.00002   0.00043  -0.00017   0.00027   2.07773
   R20        2.07699  -0.00034  -0.00074  -0.00037  -0.00114   2.07585
   R21        2.92839  -0.00006   0.00030  -0.00082  -0.00049   2.92791
   R22        2.07752  -0.00005  -0.00005  -0.00007  -0.00013   2.07739
   R23        2.07291   0.00003  -0.00013   0.00022   0.00009   2.07300
   R24        2.88560  -0.00021  -0.00077  -0.00023  -0.00101   2.88460
   R25        2.07143  -0.00010  -0.00006  -0.00012  -0.00018   2.07125
   R26        2.07668   0.00007   0.00016   0.00014   0.00030   2.07698
   R27        2.40879  -0.00063   0.00013  -0.00027  -0.00016   2.40863
   R28        2.52708  -0.00006   0.00062  -0.00063   0.00003   2.52711
   R29        4.24023  -0.00029  -0.01412  -0.01080  -0.02496   4.21528
   R30        2.56213  -0.00009  -0.00112   0.00120   0.00010   2.56223
   R31        2.91607  -0.00006  -0.00061   0.00019  -0.00041   2.91565
   R32        2.07229  -0.00011  -0.00025  -0.00006  -0.00034   2.07195
   R33        2.07012   0.00006   0.00012   0.00005   0.00019   2.07031
   R34        2.07333   0.00008   0.00045  -0.00004   0.00041   2.07374
   R35        2.84618   0.00002  -0.00021   0.00015  -0.00007   2.84610
   R36        2.07980  -0.00008  -0.00020  -0.00010  -0.00030   2.07951
   R37        2.08038  -0.00004   0.00011  -0.00015  -0.00004   2.08034
   R38        2.62047  -0.00015  -0.00052  -0.00001  -0.00056   2.61991
   R39        2.65572   0.00028   0.00063   0.00023   0.00088   2.65660
   R40        2.65587   0.00012   0.00059   0.00012   0.00068   2.65655
   R41        2.03492   0.00003  -0.00006   0.00000  -0.00007   2.03486
   R42        2.59588  -0.00015  -0.00027  -0.00012  -0.00037   2.59551
   R43        1.91285  -0.00002   0.00000  -0.00005  -0.00005   1.91280
   R44        2.53219  -0.00010   0.00012  -0.00025  -0.00014   2.53206
   R45        2.03579   0.00004   0.00019  -0.00007   0.00012   2.03592
   R46        4.07155   0.00003   0.00516   0.00043   0.00556   4.07711
   R47        2.91695   0.00016   0.00054   0.00046   0.00102   2.91796
   R48        2.07258   0.00002   0.00003   0.00004   0.00007   2.07265
   R49        2.07316  -0.00022  -0.00046  -0.00034  -0.00083   2.07234
   R50        2.07051   0.00001   0.00018   0.00001   0.00020   2.07071
   R51        2.84445   0.00000   0.00007   0.00005   0.00011   2.84456
   R52        2.07878  -0.00002  -0.00001  -0.00009  -0.00010   2.07868
   R53        2.07875   0.00001   0.00005  -0.00007  -0.00002   2.07873
   R54        2.62232   0.00000   0.00004   0.00006   0.00009   2.62241
   R55        2.65385  -0.00010  -0.00023  -0.00018  -0.00041   2.65344
   R56        2.64867   0.00003   0.00020  -0.00016   0.00002   2.64869
   R57        2.03609   0.00000  -0.00002  -0.00003  -0.00005   2.03604
   R58        2.60191  -0.00011  -0.00013   0.00000  -0.00013   2.60178
   R59        1.91287   0.00001   0.00004   0.00001   0.00005   1.91292
   R60        2.52629   0.00006   0.00016   0.00011   0.00026   2.52655
   R61        2.03643   0.00002   0.00009  -0.00004   0.00005   2.03649
   R62        4.05438  -0.00027  -0.00201  -0.00292  -0.00495   4.04943
   R63        3.85102  -0.00064  -0.00512  -0.00308  -0.00822   3.84281
   R64        4.40526   0.00028   0.01399   0.01384   0.02786   4.43311
   R65        4.33032   0.00014   0.00239  -0.00236   0.00005   4.33037
   R66        1.85549   0.00013   0.00080   0.00033   0.00112   1.85661
   R67        2.08638   0.00025  -0.00120   0.00129   0.00010   2.08648
   R68        2.39722  -0.00012   0.00003  -0.00025  -0.00022   2.39700
   R69        2.58241  -0.00008   0.00115  -0.00010   0.00102   2.58344
   R70        2.86739   0.00006  -0.00074   0.00059  -0.00015   2.86724
   R71        2.76904   0.00009   0.00035   0.00007   0.00040   2.76944
   R72        1.91428  -0.00005   0.00008  -0.00010  -0.00002   1.91426
   R73        2.90269  -0.00011   0.00013  -0.00052  -0.00043   2.90226
   R74        2.07395   0.00006  -0.00029   0.00022  -0.00007   2.07388
   R75        2.06966  -0.00006  -0.00014  -0.00005  -0.00019   2.06947
   R76        2.41326  -0.00034  -0.00041   0.00025  -0.00016   2.41310
   R77        2.54904   0.00027   0.00039   0.00050   0.00089   2.54993
   R78        1.91781   0.00003   0.00010  -0.00008   0.00002   1.91783
   R79        2.78836   0.00022   0.00125   0.00012   0.00137   2.78972
   R80        2.06949  -0.00013  -0.00040  -0.00030  -0.00070   2.06880
   R81        2.06304   0.00007   0.00039   0.00009   0.00049   2.06353
   R82        2.07222  -0.00015  -0.00016  -0.00018  -0.00034   2.07187
   R83        2.07237  -0.00011  -0.00001  -0.00021  -0.00022   2.07215
   R84        2.06831   0.00008   0.00009   0.00019   0.00027   2.06858
   R85        2.06884  -0.00002   0.00014   0.00002   0.00016   2.06901
    A1        1.92385   0.00002  -0.00071   0.00034  -0.00038   1.92347
    A2        1.93533  -0.00001   0.00068  -0.00018   0.00051   1.93585
    A3        1.95354  -0.00007  -0.00076   0.00025  -0.00049   1.95305
    A4        1.88769   0.00003   0.00058  -0.00008   0.00047   1.88816
    A5        1.87323   0.00003   0.00051  -0.00010   0.00040   1.87362
    A6        1.88781   0.00001  -0.00026  -0.00024  -0.00049   1.88732
    A7        1.98615   0.00024   0.00063   0.00025   0.00080   1.98695
    A8        1.90950  -0.00010   0.00008  -0.00003   0.00008   1.90958
    A9        1.90687  -0.00008   0.00010  -0.00005   0.00007   1.90694
   A10        1.87955  -0.00003   0.00095  -0.00047   0.00049   1.88004
   A11        1.92013  -0.00007  -0.00159   0.00064  -0.00093   1.91920
   A12        1.85708   0.00002  -0.00020  -0.00038  -0.00059   1.85649
   A13        2.30362  -0.00006   0.00080  -0.00012   0.00070   2.30431
   A14        2.14737   0.00013  -0.00061   0.00018  -0.00048   2.14690
   A15        1.83219  -0.00007  -0.00018  -0.00006  -0.00023   1.83197
   A16        1.91587   0.00013   0.00048  -0.00013   0.00032   1.91619
   A17        2.24099   0.00002   0.00063   0.00017   0.00080   2.24179
   A18        2.12622  -0.00015  -0.00118  -0.00003  -0.00120   2.12502
   A19        1.89552   0.00003  -0.00017   0.00017  -0.00001   1.89552
   A20        2.19151  -0.00002  -0.00094   0.00018  -0.00075   2.19076
   A21        2.19610  -0.00001   0.00111  -0.00037   0.00075   2.19686
   A22        1.92294   0.00004   0.00002   0.00010   0.00012   1.92307
   A23        2.16219  -0.00006   0.00001  -0.00008  -0.00007   2.16212
   A24        2.19805   0.00001  -0.00003  -0.00003  -0.00006   2.19799
   A25        1.85824  -0.00013  -0.00011  -0.00010  -0.00020   1.85804
   A26        2.20688   0.00043  -0.00153   0.00034  -0.00115   2.20573
   A27        2.21623  -0.00029   0.00130  -0.00025   0.00097   2.21719
   A28        1.93852  -0.00021  -0.00077  -0.00149  -0.00226   1.93625
   A29        1.93446   0.00003   0.00003   0.00008   0.00009   1.93455
   A30        1.93284   0.00008   0.00045   0.00048   0.00094   1.93378
   A31        1.88966  -0.00002  -0.00124  -0.00008  -0.00133   1.88834
   A32        1.88474   0.00010   0.00064   0.00042   0.00108   1.88582
   A33        1.88166   0.00003   0.00090   0.00065   0.00155   1.88321
   A34        1.97225  -0.00014  -0.00026  -0.00052  -0.00071   1.97154
   A35        1.91114   0.00016  -0.00018   0.00112   0.00093   1.91207
   A36        1.91286  -0.00006   0.00034  -0.00099  -0.00067   1.91219
   A37        1.90117  -0.00004  -0.00010  -0.00034  -0.00046   1.90071
   A38        1.88809   0.00015   0.00040   0.00102   0.00140   1.88949
   A39        1.87577  -0.00006  -0.00019  -0.00030  -0.00048   1.87529
   A40        1.93613   0.00027   0.00185   0.00128   0.00311   1.93924
   A41        1.94052  -0.00006  -0.00113   0.00053  -0.00057   1.93995
   A42        1.90246  -0.00004   0.00064  -0.00060   0.00003   1.90249
   A43        1.90735  -0.00019  -0.00098  -0.00102  -0.00199   1.90536
   A44        1.88930  -0.00003  -0.00040   0.00005  -0.00033   1.88897
   A45        1.88670   0.00005  -0.00002  -0.00030  -0.00032   1.88637
   A46        2.10301   0.00046   0.00162   0.00104   0.00261   2.10562
   A47        2.04203  -0.00045  -0.00061  -0.00092  -0.00150   2.04053
   A48        2.13738  -0.00002  -0.00098  -0.00004  -0.00101   2.13636
   A49        1.80753   0.00009   0.00124   0.00124   0.00246   1.80998
   A50        1.84306   0.00034   0.00026  -0.00024   0.00005   1.84311
   A51        1.93812   0.00005   0.00063  -0.00016   0.00048   1.93860
   A52        1.92168   0.00009   0.00059   0.00041   0.00098   1.92266
   A53        1.94202  -0.00003  -0.00088   0.00033  -0.00056   1.94146
   A54        1.88521  -0.00008  -0.00025  -0.00024  -0.00048   1.88473
   A55        1.89201   0.00000   0.00012  -0.00007   0.00007   1.89208
   A56        1.88293  -0.00003  -0.00022  -0.00029  -0.00053   1.88240
   A57        1.97781  -0.00021  -0.00168  -0.00033  -0.00206   1.97575
   A58        1.90099  -0.00001   0.00043   0.00009   0.00053   1.90152
   A59        1.90705   0.00014  -0.00002   0.00037   0.00038   1.90742
   A60        1.90254   0.00014   0.00149   0.00050   0.00201   1.90455
   A61        1.91371  -0.00002  -0.00076  -0.00042  -0.00117   1.91254
   A62        1.85787  -0.00003   0.00069  -0.00020   0.00049   1.85835
   A63        2.32183  -0.00024  -0.00046  -0.00054  -0.00106   2.32077
   A64        2.13473   0.00029   0.00047   0.00080   0.00130   2.13603
   A65        1.82621  -0.00004   0.00018  -0.00022  -0.00005   1.82616
   A66        1.91829   0.00000   0.00017   0.00006   0.00024   1.91853
   A67        2.24705  -0.00002  -0.00036  -0.00012  -0.00049   2.24656
   A68        2.11728   0.00003   0.00024   0.00000   0.00023   2.11751
   A69        1.90171  -0.00001  -0.00040   0.00012  -0.00029   1.90143
   A70        2.18842   0.00002   0.00012   0.00000   0.00012   2.18854
   A71        2.19276  -0.00001   0.00033  -0.00018   0.00015   2.19291
   A72        1.91692   0.00003   0.00056  -0.00001   0.00054   1.91746
   A73        2.18503   0.00001  -0.00018   0.00041   0.00024   2.18527
   A74        2.18068  -0.00004  -0.00040  -0.00047  -0.00086   2.17982
   A75        1.86162   0.00002  -0.00048   0.00004  -0.00043   1.86118
   A76        2.18936   0.00013  -0.00065   0.00090   0.00015   2.18950
   A77        2.20298  -0.00015  -0.00020  -0.00082  -0.00095   2.20202
   A78        1.94242  -0.00004  -0.00009  -0.00013  -0.00023   1.94220
   A79        1.94114  -0.00004  -0.00030  -0.00047  -0.00076   1.94039
   A80        1.92623  -0.00011  -0.00084  -0.00010  -0.00095   1.92528
   A81        1.88961   0.00005   0.00036   0.00028   0.00065   1.89027
   A82        1.87697   0.00005   0.00022  -0.00005   0.00015   1.87712
   A83        1.88521   0.00009   0.00071   0.00051   0.00123   1.88644
   A84        1.95905   0.00012   0.00020  -0.00003   0.00013   1.95917
   A85        1.90766  -0.00001  -0.00002  -0.00015  -0.00018   1.90748
   A86        1.90693  -0.00007  -0.00036  -0.00019  -0.00052   1.90640
   A87        1.91165  -0.00003  -0.00018   0.00025   0.00009   1.91174
   A88        1.91994  -0.00005   0.00025   0.00001   0.00026   1.92021
   A89        1.85571   0.00003   0.00011   0.00013   0.00023   1.85594
   A90        2.30342  -0.00005  -0.00096  -0.00027  -0.00125   2.30216
   A91        2.15339   0.00004   0.00093   0.00023   0.00118   2.15457
   A92        1.82633   0.00001   0.00002   0.00004   0.00006   1.82640
   A93        1.91798  -0.00005   0.00001  -0.00005  -0.00004   1.91793
   A94        2.24941   0.00002  -0.00023   0.00019  -0.00003   2.24938
   A95        2.11580   0.00003   0.00020  -0.00014   0.00007   2.11587
   A96        1.89937   0.00007   0.00008   0.00007   0.00014   1.89952
   A97        2.19005   0.00002   0.00040   0.00011   0.00053   2.19058
   A98        2.19355  -0.00009  -0.00048  -0.00015  -0.00061   2.19294
   A99        1.91585  -0.00004   0.00008  -0.00012  -0.00006   1.91579
   A100       2.18804   0.00006   0.00019   0.00026   0.00045   2.18850
   A101       2.17894  -0.00002  -0.00016  -0.00014  -0.00030   2.17864
   A102       1.86520   0.00001  -0.00019   0.00009  -0.00009   1.86511
   A103       2.20919   0.00027  -0.00049  -0.00033  -0.00086   2.20833
   A104       2.19391  -0.00027   0.00080   0.00006   0.00090   2.19480
   A105       1.69816   0.00010  -0.00075   0.00079   0.00005   1.69822
   A106       1.54919  -0.00004   0.00381   0.00244   0.00624   1.55543
   A107       1.66788   0.00010   0.00436   0.00492   0.00944   1.67732
   A108       3.00933   0.00002  -0.00069  -0.00030  -0.00086   3.00847
   A109       1.65699   0.00002   0.00468   0.00303   0.00772   1.66471
   A110       1.73712  -0.00011  -0.00215  -0.00278  -0.00504   1.73208
   A111       1.60039   0.00022  -0.00003   0.00103   0.00100   1.60139
   A112       1.49663  -0.00011  -0.00372  -0.00349  -0.00730   1.48934
   A113       2.91308  -0.00012  -0.00359  -0.00300  -0.00659   2.90649
   A114       2.92129  -0.00015  -0.00245  -0.00183  -0.00397   2.91732
   A115       1.46402   0.00006  -0.00518  -0.00340  -0.00870   1.45532
   A116       1.48953   0.00015   0.00126   0.00075   0.00187   1.49140
   A117       1.59292  -0.00013  -0.00203  -0.00340  -0.00544   1.58747
   A118       1.43951  -0.00028  -0.00100  -0.00080  -0.00167   1.43784
   A119       1.44305  -0.00001   0.00004  -0.00036  -0.00030   1.44276
   A120       2.10661  -0.00009   0.00018  -0.00032  -0.00013   2.10648
   A121       2.19378   0.00004  -0.00539  -0.00386  -0.00930   2.18448
   A122       1.78666  -0.00002   0.00001  -0.00138  -0.00132   1.78534
   A123       2.02812   0.00021   0.00333   0.00339   0.00674   2.03486
   A124       2.94188  -0.00063  -0.00350  -0.00318  -0.00679   2.93510
   A125       2.12921   0.00032  -0.00021   0.00100   0.00084   2.13005
   A126       2.11382  -0.00010   0.00101  -0.00038   0.00060   2.11442
   A127       2.04002  -0.00022  -0.00078  -0.00060  -0.00140   2.03861
   A128       2.31610  -0.00049  -0.00485  -0.00561  -0.01036   2.30574
   A129       2.14536   0.00030  -0.00136   0.00128  -0.00005   2.14531
   A130       2.07030  -0.00016   0.00089  -0.00066   0.00021   2.07051
   A131       2.06703  -0.00014   0.00050  -0.00052  -0.00004   2.06698
   A132       1.98415  -0.00026  -0.00188  -0.00105  -0.00298   1.98118
   A133       1.90460   0.00003  -0.00041  -0.00036  -0.00075   1.90384
   A134       1.90088   0.00002   0.00062   0.00020   0.00082   1.90170
   A135       1.82003   0.00009  -0.00003   0.00014   0.00011   1.82013
   A136       1.94700   0.00013   0.00107   0.00068   0.00178   1.94878
   A137       1.90436  -0.00001   0.00066   0.00041   0.00106   1.90542
   A138       2.10141  -0.00018  -0.00034  -0.00199  -0.00234   2.09907
   A139       2.02827   0.00038   0.00213   0.00114   0.00327   2.03154
   A140       2.15121  -0.00019  -0.00202   0.00144  -0.00059   2.15062
   A141       2.06969   0.00058   0.00032   0.00174   0.00206   2.07175
   A142       2.06336   0.00018   0.00032   0.00016   0.00052   2.06389
   A143       2.16452  -0.00051  -0.00338  -0.00061  -0.00394   2.16058
   A144       2.03713   0.00032   0.00202   0.00061   0.00267   2.03980
   A145       1.91434  -0.00004  -0.00048  -0.00081  -0.00128   1.91306
   A146       1.89613  -0.00004  -0.00050   0.00004  -0.00046   1.89567
   A147       1.90239   0.00023   0.00156   0.00045   0.00201   1.90441
   A148       1.91105   0.00000  -0.00109   0.00042  -0.00068   1.91037
   A149       1.92971   0.00004   0.00239  -0.00064   0.00175   1.93147
   A150       1.90986  -0.00019  -0.00193   0.00056  -0.00137   1.90849
   A151       1.90362   0.00010   0.00209  -0.00020   0.00189   1.90551
   A152       1.90402   0.00001  -0.00097   0.00047  -0.00050   1.90351
   A153       1.97661  -0.00001  -0.00062   0.00033  -0.00028   1.97633
   A154       1.87676  -0.00005  -0.00016  -0.00024  -0.00039   1.87636
   A155       1.89367  -0.00004  -0.00015  -0.00023  -0.00038   1.89328
   A156       1.90660  -0.00003  -0.00017  -0.00016  -0.00033   1.90627
    D1        3.10949   0.00002   0.00304  -0.00102   0.00201   3.11150
    D2        1.00645  -0.00003   0.00135  -0.00056   0.00079   1.00724
    D3       -1.02017   0.00005   0.00149  -0.00006   0.00142  -1.01875
    D4        1.01963  -0.00001   0.00234  -0.00103   0.00134   1.02097
    D5       -1.08341  -0.00007   0.00065  -0.00056   0.00012  -1.08329
    D6       -3.11003   0.00001   0.00080  -0.00006   0.00075  -3.10929
    D7       -1.09020   0.00003   0.00271  -0.00076   0.00194  -1.08826
    D8        3.08994  -0.00003   0.00102  -0.00029   0.00072   3.09066
    D9        1.06332   0.00005   0.00117   0.00020   0.00135   1.06467
   D10       -2.13454   0.00001   0.00564   0.00362   0.00924  -2.12530
   D11        1.00881   0.00004   0.01048   0.00288   0.01334   1.02215
   D12       -0.01476   0.00002   0.00682   0.00339   0.01021  -0.00455
   D13        3.12860   0.00005   0.01166   0.00266   0.01430  -3.14028
   D14        2.00235   0.00000   0.00626   0.00302   0.00929   2.01164
   D15       -1.13748   0.00003   0.01110   0.00228   0.01338  -1.12409
   D16       -3.13565  -0.00010  -0.00034  -0.00020  -0.00054  -3.13620
   D17        0.02163   0.00008   0.00607  -0.00140   0.00467   0.02630
   D18        0.00441  -0.00013  -0.00454   0.00044  -0.00410   0.00031
   D19       -3.12149   0.00005   0.00187  -0.00076   0.00111  -3.12038
   D20        3.13710   0.00004  -0.00150   0.00049  -0.00101   3.13609
   D21       -0.01486  -0.00001  -0.00092  -0.00066  -0.00157  -0.01643
   D22       -0.00314   0.00006   0.00222  -0.00008   0.00214  -0.00100
   D23        3.12809   0.00002   0.00281  -0.00122   0.00158   3.12966
   D24       -0.00408   0.00014   0.00523  -0.00064   0.00458   0.00050
   D25        3.07580   0.00016  -0.00073  -0.00078  -0.00151   3.07429
   D26        3.12304  -0.00002  -0.00067   0.00047  -0.00020   3.12284
   D27       -0.08026   0.00000  -0.00663   0.00033  -0.00629  -0.08655
   D28        0.00070   0.00003   0.00100  -0.00032   0.00067   0.00137
   D29       -3.13990   0.00005   0.00341   0.00156   0.00498  -3.13492
   D30       -3.13049   0.00007   0.00043   0.00082   0.00125  -3.12924
   D31        0.01210   0.00010   0.00284   0.00270   0.00555   0.01765
   D32        0.00203  -0.00010  -0.00376   0.00058  -0.00317  -0.00114
   D33       -3.07742  -0.00015   0.00236   0.00070   0.00308  -3.07435
   D34       -3.14059  -0.00013  -0.00623  -0.00135  -0.00758   3.13502
   D35        0.06314  -0.00017  -0.00012  -0.00123  -0.00134   0.06181
   D36        1.98418   0.00002   0.00434  -0.00451  -0.00007   1.98411
   D37       -2.56328  -0.00010   0.00262  -0.00700  -0.00436  -2.56764
   D38        0.37093  -0.00023   0.00391  -0.00628  -0.00234   0.36859
   D39       -2.32088  -0.00001  -0.03397  -0.02798  -0.06194  -2.38282
   D40       -1.07594   0.00004   0.00413  -0.00611  -0.00211  -1.07805
   D41       -1.23151   0.00005  -0.00288  -0.00467  -0.00745  -1.23896
   D42        0.50422  -0.00007  -0.00460  -0.00716  -0.01175   0.49247
   D43       -2.84476  -0.00020  -0.00330  -0.00644  -0.00973  -2.85449
   D44        0.74661   0.00002  -0.04118  -0.02814  -0.06933   0.67729
   D45        1.99155   0.00007  -0.00308  -0.00627  -0.00949   1.98206
   D46        1.05583  -0.00002   0.00628  -0.00054   0.00572   1.06155
   D47       -3.10480  -0.00006   0.00585  -0.00052   0.00531  -3.09948
   D48       -1.05125  -0.00007   0.00571  -0.00080   0.00488  -1.04636
   D49       -1.04560   0.00013   0.00834   0.00050   0.00884  -1.03676
   D50        1.07696   0.00009   0.00790   0.00052   0.00843   1.08539
   D51        3.13051   0.00008   0.00776   0.00024   0.00800   3.13851
   D52       -3.13322   0.00002   0.00688  -0.00068   0.00621  -3.12701
   D53       -1.01066  -0.00002   0.00645  -0.00066   0.00580  -1.00485
   D54        1.04289  -0.00003   0.00631  -0.00094   0.00538   1.04827
   D55       -1.08409   0.00013  -0.00023   0.00010  -0.00012  -1.08421
   D56        1.04228   0.00003  -0.00097   0.00006  -0.00089   1.04138
   D57        3.12042   0.00003  -0.00127  -0.00037  -0.00162   3.11879
   D58        3.07092   0.00005   0.00025  -0.00074  -0.00050   3.07043
   D59       -1.08589  -0.00005  -0.00049  -0.00079  -0.00127  -1.08717
   D60        0.99225  -0.00005  -0.00079  -0.00121  -0.00200   0.99024
   D61        1.03702   0.00006   0.00032  -0.00077  -0.00045   1.03657
   D62       -3.11980  -0.00004  -0.00042  -0.00081  -0.00123  -3.12102
   D63       -1.04166  -0.00004  -0.00073  -0.00123  -0.00195  -1.04361
   D64       -0.91349  -0.00005   0.00589   0.00740   0.01332  -0.90017
   D65        2.18678  -0.00004   0.00657   0.00943   0.01603   2.20281
   D66       -3.05914  -0.00002   0.00674   0.00657   0.01333  -3.04581
   D67        0.04114  -0.00001   0.00743   0.00860   0.01604   0.05718
   D68        1.17308   0.00004   0.00754   0.00746   0.01501   1.18809
   D69       -2.00983   0.00006   0.00822   0.00949   0.01771  -1.99211
   D70        2.96150  -0.00009  -0.00118   0.00362   0.00240   2.96391
   D71       -0.13646  -0.00009  -0.00192   0.00149  -0.00045  -0.13691
   D72       -2.97033   0.00001  -0.00188  -0.00379  -0.00564  -2.97596
   D73        0.12907   0.00003  -0.00111  -0.00169  -0.00279   0.12628
   D74        0.02047   0.00003   0.00770  -0.00230   0.00541   0.02588
   D75        0.25472  -0.00006  -0.00033   0.00216   0.00177   0.25649
   D76       -1.04694  -0.00004   0.00016  -0.00025  -0.00009  -1.04703
   D77        1.07384  -0.00001   0.00126   0.00023   0.00148   1.07532
   D78        3.09675   0.00002   0.00231   0.00025   0.00256   3.09931
   D79       -3.13409  -0.00003  -0.00031  -0.00011  -0.00043  -3.13452
   D80       -1.01331   0.00001   0.00078   0.00037   0.00114  -1.01218
   D81        1.00960   0.00003   0.00184   0.00039   0.00222   1.01181
   D82        1.06230  -0.00003   0.00015  -0.00022  -0.00005   1.06225
   D83       -3.10011   0.00000   0.00124   0.00026   0.00152  -3.09859
   D84       -1.07720   0.00003   0.00230   0.00028   0.00260  -1.07460
   D85       -0.01676  -0.00006  -0.01192  -0.00681  -0.01875  -0.03551
   D86        3.08900  -0.00004  -0.00419  -0.00485  -0.00908   3.07992
   D87       -2.13667  -0.00001  -0.01242  -0.00706  -0.01948  -2.15615
   D88        0.96909   0.00001  -0.00469  -0.00511  -0.00981   0.95928
   D89        2.11904  -0.00004  -0.01367  -0.00687  -0.02055   2.09849
   D90       -1.05839  -0.00002  -0.00594  -0.00492  -0.01087  -1.06926
   D91        3.10441   0.00009   0.00952   0.00016   0.00966   3.11406
   D92       -0.00067   0.00009   0.00782   0.00236   0.01017   0.00951
   D93       -0.00589   0.00007   0.00276  -0.00156   0.00119  -0.00470
   D94       -3.11096   0.00007   0.00106   0.00064   0.00170  -3.10926
   D95       -3.10659  -0.00009  -0.00848  -0.00059  -0.00904  -3.11563
   D96        0.01028  -0.00008  -0.00650  -0.00337  -0.00987   0.00042
   D97        0.00794  -0.00008  -0.00265   0.00088  -0.00175   0.00618
   D98        3.12481  -0.00007  -0.00067  -0.00191  -0.00258   3.12223
   D99        0.00169  -0.00003  -0.00189   0.00169  -0.00018   0.00150
   D100      -2.89478   0.00000   0.00360   0.00138   0.00500  -2.88978
   D101       3.10995  -0.00003  -0.00035  -0.00032  -0.00068   3.10927
   D102       0.21348  -0.00001   0.00514  -0.00063   0.00451   0.21799
   D103      -0.00729   0.00007   0.00159   0.00015   0.00173  -0.00556
   D104       3.09981   0.00000   0.00112  -0.00190  -0.00080   3.09902
   D105      -3.12409   0.00006  -0.00039   0.00294   0.00256  -3.12153
   D106      -0.01698  -0.00001  -0.00086   0.00089   0.00003  -0.01695
   D107       0.00345  -0.00002   0.00016  -0.00110  -0.00095   0.00250
   D108       2.89745   0.00000  -0.00548  -0.00047  -0.00598   2.89147
   D109      -3.10376   0.00005   0.00063   0.00091   0.00154  -3.10222
   D110      -0.20977   0.00007  -0.00501   0.00154  -0.00349  -0.21326
   D111      -0.47712  -0.00009  -0.00490  -0.00056  -0.00553  -0.48265
   D112      -2.04733  -0.00005  -0.00839  -0.00284  -0.01127  -2.05860
   D113       1.19540   0.00005  -0.00052   0.00458   0.00413   1.19954
   D114       2.78619  -0.00010  -0.00263   0.00099  -0.00162   2.78457
   D115       2.29844   0.00000   0.00256   0.01203   0.01451   2.31295
   D116       2.95680  -0.00009   0.00171  -0.00112   0.00054   2.95733
   D117       1.38659  -0.00005  -0.00178  -0.00340  -0.00520   1.38138
   D118      -1.65386   0.00005   0.00609   0.00401   0.01020  -1.64367
   D119      -0.06307  -0.00011   0.00398   0.00043   0.00445  -0.05863
   D120      -0.55083  -0.00001   0.00917   0.01147   0.02058  -0.53025
   D121      -1.05695   0.00001  -0.00079   0.00073  -0.00008  -1.05704
   D122       3.10164  -0.00003  -0.00068   0.00054  -0.00015   3.10149
   D123       1.07766  -0.00002  -0.00060   0.00058  -0.00003   1.07763
   D124       1.05158   0.00002  -0.00060   0.00068   0.00008   1.05166
   D125      -1.07302  -0.00002  -0.00049   0.00049   0.00001  -1.07301
   D126      -3.09699  -0.00001  -0.00041   0.00053   0.00013  -3.09686
   D127      -3.13953   0.00004  -0.00046   0.00095   0.00050  -3.13903
   D128       1.01906   0.00000  -0.00035   0.00076   0.00043   1.01949
   D129      -1.00491   0.00001  -0.00027   0.00080   0.00055  -1.00436
   D130       0.34423  -0.00001   0.00703   0.00786   0.01491   0.35914
   D131      -2.78597  -0.00005   0.00796   0.00790   0.01590  -2.77007
   D132       2.46655   0.00003   0.00701   0.00782   0.01482   2.48137
   D133      -0.66366   0.00000   0.00794   0.00786   0.01581  -0.64784
   D134      -1.78298   0.00002   0.00718   0.00812   0.01530  -1.76768
   D135       1.37000  -0.00001   0.00811   0.00817   0.01629   1.38630
   D136      -3.12384  -0.00008   0.00144  -0.00236  -0.00089  -3.12473
   D137       0.01820  -0.00007   0.00230  -0.00163   0.00066   0.01886
   D138       0.00792  -0.00005   0.00064  -0.00240  -0.00174   0.00618
   D139      -3.13322  -0.00004   0.00150  -0.00167  -0.00018  -3.13341
   D140       3.12495   0.00008  -0.00154   0.00149  -0.00008   3.12487
   D141       0.00455  -0.00002  -0.00387   0.00039  -0.00349   0.00105
   D142      -0.00789   0.00005  -0.00082   0.00153   0.00069  -0.00720
   D143      -3.12829  -0.00004  -0.00315   0.00043  -0.00272  -3.13102
   D144      -0.00508   0.00003  -0.00022   0.00242   0.00218  -0.00290
   D145       2.95940   0.00000   0.00059   0.00139   0.00194   2.96134
   D146       3.13610   0.00002  -0.00100   0.00175   0.00076   3.13687
   D147      -0.18260  -0.00001  -0.00019   0.00073   0.00053  -0.18207
   D148       0.00510  -0.00004   0.00073  -0.00008   0.00065   0.00575
   D149      -3.10907  -0.00008  -0.00345   0.00004  -0.00338  -3.11246
   D150       3.12545   0.00006   0.00307   0.00103   0.00409   3.12954
   D151       0.01128   0.00002  -0.00111   0.00115   0.00005   0.01133
   D152      -0.00007   0.00000  -0.00032  -0.00140  -0.00171  -0.00178
   D153      -2.96653  -0.00004  -0.00094  -0.00034  -0.00125  -2.96778
   D154       3.11428   0.00005   0.00384  -0.00152   0.00231   3.11659
   D155       0.14781   0.00000   0.00321  -0.00046   0.00277   0.15059
   D156      -1.43317  -0.00006   0.00616   0.00071   0.00692  -1.42625
   D157       0.26316   0.00004   0.00606   0.00192   0.00799   0.27114
   D158       2.92465  -0.00013  -0.03004  -0.03184  -0.06181   2.86284
   D159       1.74026  -0.00005   0.00156  -0.00191  -0.00036   1.73990
   D160      -3.09224  -0.00008   0.00182  -0.00211  -0.00027  -3.09250
   D161       1.49927  -0.00005   0.00698  -0.00051   0.00650   1.50577
   D162      -3.08758   0.00004   0.00688   0.00070   0.00756  -3.08002
   D163      -0.42609  -0.00012  -0.02923  -0.03306  -0.06223  -0.48832
   D164      -1.61048  -0.00004   0.00237  -0.00313  -0.00079  -1.61127
   D165      -0.15979  -0.00007   0.00264  -0.00333  -0.00069  -0.16048
   D166       1.79796  -0.00007  -0.01316  -0.00989  -0.02302   1.77495
   D167      -0.59598   0.00007  -0.00501  -0.00013  -0.00508  -0.60106
   D168       0.09623  -0.00020  -0.01254  -0.01100  -0.02359   0.07264
   D169      -2.29771  -0.00006  -0.00439  -0.00124  -0.00565  -2.30337
   D170      -2.57222  -0.00002   0.02307   0.02244   0.04550  -2.52672
   D171       1.31703   0.00011   0.03122   0.03220   0.06344   1.38047
   D172      -1.40101  -0.00009  -0.00878  -0.00743  -0.01615  -1.41716
   D173       2.48823   0.00005  -0.00062   0.00232   0.00179   2.49002
   D174      -2.83997  -0.00008  -0.00906  -0.00750  -0.01653  -2.85650
   D175       1.04927   0.00005  -0.00090   0.00225   0.00141   1.05068
   D176       1.05565  -0.00004   0.03631   0.02282   0.05912   1.11477
   D177       3.04604  -0.00006  -0.00158  -0.00023  -0.00190   3.04414
   D178       1.29941   0.00004  -0.00044   0.00182   0.00141   1.30082
   D179      -1.63832   0.00017  -0.00153   0.00098  -0.00060  -1.63892
   D180      -0.20279  -0.00010  -0.00228   0.00061  -0.00157  -0.20437
   D181       2.09775  -0.00010   0.00316  -0.00139   0.00182   2.09957
   D182      -0.67949  -0.00019  -0.00405  -0.01386  -0.01787  -0.69737
   D183      -2.64343  -0.00013   0.00672   0.00088   0.00764  -2.63579
   D184       0.44012  -0.00018  -0.00060  -0.00593  -0.00664   0.43349
   D185      -1.17014  -0.00009   0.00134  -0.00262  -0.00136  -1.17150
   D186      -2.45601   0.00021   0.00283   0.01115   0.01396  -2.44205
   D187       0.08477   0.00013  -0.00594   0.00225  -0.00373   0.08105
   D188       2.12835  -0.00012   0.00004  -0.01048  -0.01052   2.11783
   D189      -0.37159   0.00002   0.00645  -0.00271   0.00373  -0.36787
   D190       0.89211   0.00001   0.00327   0.00086   0.00415   0.89626
   D191      -2.26804   0.00002   0.00481   0.00191   0.00674  -2.26130
   D192       0.08482  -0.00004  -0.00179  -0.00239  -0.00416   0.08065
   D193      -3.09124  -0.00003  -0.00078   0.00080   0.00004  -3.09120
   D194      -3.03897  -0.00005  -0.00328  -0.00340  -0.00666  -3.04563
   D195       0.06817  -0.00004  -0.00227  -0.00021  -0.00246   0.06570
   D196      -1.14778  -0.00001  -0.00437  -0.00263  -0.00700  -1.15478
   D197       0.89753   0.00000  -0.00392  -0.00277  -0.00669   0.89084
   D198       3.02486  -0.00002  -0.00525  -0.00241  -0.00766   3.01720
   D199       1.97617   0.00001  -0.00291  -0.00162  -0.00452   1.97165
   D200      -2.26171   0.00002  -0.00246  -0.00176  -0.00421  -2.26592
   D201      -0.13437  -0.00001  -0.00379  -0.00140  -0.00519  -0.13956
   D202      -1.43540  -0.00002  -0.00632  -0.00224  -0.00854  -1.44394
   D203       0.58787  -0.00004  -0.00775  -0.00294  -0.01068   0.57719
   D204       2.66518  -0.00002  -0.00684  -0.00253  -0.00935   2.65583
   D205       1.74060  -0.00003  -0.00733  -0.00542  -0.01274   1.72786
   D206      -2.51932  -0.00005  -0.00877  -0.00611  -0.01488  -2.53420
   D207      -0.44202  -0.00004  -0.00785  -0.00571  -0.01355  -0.45556
   D208       0.69746  -0.00002   0.00652   0.00167   0.00822   0.70568
   D209      -2.51449   0.00005   0.00275   0.01076   0.01353  -2.50096
   D210      -1.37492   0.00003   0.00804   0.00258   0.01064  -1.36428
   D211       1.69631   0.00010   0.00427   0.01167   0.01595   1.71226
   D212       2.85519  -0.00007   0.00675   0.00168   0.00844   2.86363
   D213      -0.35676  -0.00001   0.00297   0.01076   0.01374  -0.34301
   D214       0.98614  -0.00013  -0.00317   0.00150  -0.00164   0.98450
   D215      -2.07996  -0.00023   0.00070  -0.00822  -0.00747  -2.08743
   D216       0.01279  -0.00023  -0.00465  -0.00782  -0.01248   0.00032
   D217      -2.91808  -0.00018   0.00023  -0.00879  -0.00857  -2.92665
   D218       3.08182  -0.00015  -0.00847   0.00140  -0.00707   3.07475
   D219       0.15094  -0.00011  -0.00359   0.00043  -0.00316   0.14778
   D220      -2.44789   0.00004  -0.01488  -0.01032  -0.02521  -2.47310
   D221      -0.35958   0.00000  -0.01680  -0.01027  -0.02707  -0.38665
   D222       1.72031  -0.00012  -0.01852  -0.00931  -0.02783   1.69248
   D223       0.90152   0.00010  -0.00989  -0.01123  -0.02112   0.88040
   D224       2.98984   0.00005  -0.01181  -0.01117  -0.02299   2.96685
   D225      -1.21346  -0.00006  -0.01353  -0.01022  -0.02375  -1.23721
         Item               Value     Threshold  Converged?
 Maximum Force            0.000654     0.000450     NO 
 RMS     Force            0.000133     0.000300     YES
 Maximum Displacement     0.118633     0.001800     NO 
 RMS     Displacement     0.018264     0.001200     NO 
 Predicted change in Energy=-6.143337D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.019971    2.566684    3.586604
      2          6           0       -3.267003    1.213078    3.670221
      3          6           0       -2.033497    1.149559    2.812270
      4          6           0       -1.659536    0.295358    1.785453
      5          7           0       -0.959998    2.044477    2.948541
      6          6           0        0.004930    1.714839    2.028087
      7          7           0       -0.388346    0.657043    1.304277
      8          6           0       -5.210164    0.929929    0.182567
      9          6           0       -5.882204   -0.144964   -0.699506
     10          6           0       -5.262626   -1.552912   -0.514071
     11          6           0       -3.791867   -1.564492   -0.922511
     12          8           0       -3.429310   -1.112296   -2.057700
     13          8           0       -2.917014   -2.023949   -0.021470
     14          6           0       -2.244538    4.246543   -2.968559
     15          6           0       -1.025223    3.790319   -3.796607
     16          6           0       -0.205618    2.729160   -3.110674
     17          6           0       -0.306457    2.108859   -1.874895
     18          7           0        0.905726    2.123387   -3.722445
     19          6           0        1.423858    1.178817   -2.870514
     20          7           0        0.709702    1.147244   -1.737231
     21          6           0        4.734309    3.970389    1.460529
     22          6           0        5.195183    2.592524    1.983397
     23          6           0        4.220967    1.497578    1.640094
     24          6           0        3.229669    1.408600    0.673051
     25          7           0        4.154491    0.276442    2.330031
     26          6           0        3.149074   -0.488867    1.783205
     27          7           0        2.573149    0.174467    0.775312
     28         30           0        0.772954   -0.400178   -0.235115
     29          1           0       -4.922326    2.537127    4.208621
     30          1           0       -4.322247    2.783287    2.555449
     31          1           0       -3.402052    3.402506    3.944826
     32          1           0       -3.935424    0.404327    3.353715
     33          1           0       -3.005811    1.006937    4.720041
     34          1           0       -2.216553   -0.526276    1.358569
     35          1           0       -0.912846    2.809678    3.608586
     36          1           0        0.939288    2.240746    1.922966
     37          1           0       -4.144987    1.028460   -0.062387
     38          1           0       -5.294934    0.670879    1.247734
     39          1           0       -5.685475    1.909113    0.034367
     40          1           0       -6.955246   -0.194475   -0.465813
     41          1           0       -5.788263    0.135488   -1.755868
     42          1           0       -5.350173   -1.889767    0.525259
     43          1           0       -5.801992   -2.268024   -1.151012
     44          1           0       -2.920757    3.407269   -2.767314
     45          1           0       -2.807524    5.011042   -3.515222
     46          1           0       -1.934052    4.679169   -2.009043
     47          1           0       -1.375576    3.404798   -4.765921
     48          1           0       -0.389723    4.661465   -4.018332
     49          1           0       -1.041821    2.260661   -1.103081
     50          1           0        1.251391    2.333940   -4.650211
     51          1           0        2.256934    0.532648   -3.092227
     52          1           0        4.635530    3.968910    0.368187
     53          1           0        3.767830    4.255307    1.893360
     54          1           0        5.466170    4.741819    1.725085
     55          1           0        5.323039    2.642218    3.074799
     56          1           0        6.185946    2.359560    1.566077
     57          1           0        2.948697    2.130458   -0.075829
     58          1           0        4.739446    0.010401    3.112175
     59          1           0        2.851373   -1.465999    2.126640
     60          8           0       -0.808161   -1.365595   -1.073730
     61          1           0       -1.204423   -1.043750   -1.913166
     62          1           0       -1.690976   -1.736533   -0.524080
     63          6           0        2.943171   -2.546955   -1.570892
     64          8           0        2.258222   -1.486071   -1.690477
     65          7           0        2.384195   -3.730637   -1.176694
     66          6           0        0.944909   -3.897525   -0.956784
     67          6           0        0.478228   -3.427504    0.428857
     68          8           0        0.954806   -2.358883    0.940274
     69          7           0       -0.496670   -4.155412    1.012390
     70          1           0        0.397865   -3.255565   -1.658943
     71          1           0        0.675730   -4.942980   -1.140762
     72          1           0        2.987102   -4.535585   -1.055459
     73          1           0       -0.860876   -4.959539    0.511692
     74          6           0       -1.247499   -3.715799    2.205008
     75          1           0       -1.428243   -4.572727    2.861897
     76          1           0       -0.652667   -2.969646    2.735889
     77          1           0       -2.195167   -3.265525    1.886819
     78          6           0        4.428188   -2.561546   -1.881760
     79          1           0        4.573546   -2.383030   -2.953855
     80          1           0        4.914393   -1.742295   -1.342610
     81          1           0        4.915435   -3.505888   -1.618038
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0969042      0.0725958      0.0661074
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.7057438663 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33673 LenP2D=  122066.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999996   -0.002317    0.000761   -0.001573 Ang=  -0.33 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97570320     A.U. after   11 cycles
            NFock= 11  Conv=0.31D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33673 LenP2D=  122066.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000090846    0.000210050    0.000051789
      3        6          -0.000038857    0.000239237    0.000064626
      4        6           0.000611670   -0.000291772    0.000117256
      5        7          -0.000177883   -0.000019188   -0.000090544
      6        6           0.000083949   -0.000279298    0.000017921
      7        7          -0.000377782    0.000854076    0.000270544
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000018384    0.000193902   -0.000002279
     10        6           0.000159141   -0.000143890    0.000053920
     11        6          -0.000095495   -0.000241188   -0.000415002
     12        8          -0.000080533    0.000067600    0.000321060
     13        8           0.000008957   -0.000187171    0.000052266
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000021863   -0.000010318    0.000107725
     16        6          -0.000117541   -0.000072203   -0.000190913
     17        6          -0.000060479   -0.000005108    0.000015068
     18        7          -0.000017505   -0.000060531    0.000200148
     19        6          -0.000178511    0.000008490    0.000010026
     20        7          -0.000016368    0.000006061    0.000017136
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000064291    0.000063884    0.000049886
     23        6           0.000191569   -0.000018642    0.000108149
     24        6          -0.000313338    0.000011154   -0.000267708
     25        7           0.000104196    0.000001226    0.000036949
     26        6          -0.000119399    0.000096772   -0.000091600
     27        7           0.000235386   -0.000241158    0.000032160
     28       30           0.000741628   -0.000869876    0.000273206
     29        1          -0.000029720   -0.000056273   -0.000032524
     30        1          -0.000185475    0.000136665    0.000290502
     31        1           0.000094566    0.000273374   -0.000164480
     32        1          -0.000142615   -0.000351479    0.000194602
     33        1           0.000226719   -0.000163417   -0.000376981
     34        1          -0.000062178    0.000175997   -0.000020295
     35        1          -0.000018351   -0.000078047   -0.000075731
     36        1          -0.000058017   -0.000033448    0.000043657
     37        1           0.000019439    0.000015456   -0.000017858
     38        1           0.000042404   -0.000043360   -0.000087615
     39        1          -0.000036763    0.000018298    0.000036487
     40        1          -0.000004040    0.000017731   -0.000044410
     41        1           0.000021969   -0.000033083    0.000013734
     42        1          -0.000035023    0.000016866   -0.000060136
     43        1          -0.000021531    0.000066216    0.000017865
     44        1          -0.000009150   -0.000005694   -0.000014177
     45        1           0.000009474   -0.000012867   -0.000007094
     46        1           0.000039342    0.000027474   -0.000041924
     47        1          -0.000017145   -0.000025975    0.000008992
     48        1           0.000031693    0.000031348   -0.000045286
     49        1           0.000049374    0.000055543    0.000029082
     50        1           0.000000678    0.000048878   -0.000016133
     51        1           0.000046458    0.000062628   -0.000041158
     52        1          -0.000006332    0.000010563    0.000025289
     53        1           0.000020305   -0.000013543    0.000001511
     54        1           0.000026632    0.000047621   -0.000026676
     55        1          -0.000022603   -0.000006709   -0.000020166
     56        1           0.000020468    0.000025034   -0.000034898
     57        1           0.000059200    0.000026009    0.000035257
     58        1           0.000002369   -0.000008188   -0.000006625
     59        1           0.000027814   -0.000003435    0.000037252
     60        8          -0.000896895   -0.000464568   -0.000316859
     61        1           0.000462317    0.000345948    0.000292832
     62        1           0.000170999    0.000581144    0.000128193
     63        6           0.000272976    0.000439225    0.000348931
     64        8          -0.000357651    0.000199751   -0.000491033
     65        7           0.000078651   -0.000345282   -0.000038092
     66        6          -0.000016453    0.000150419    0.000024718
     67        6          -0.000134523    0.000137036    0.000222126
     68        8           0.000051431    0.000011561   -0.000323523
     69        7          -0.000148737    0.000002095    0.000204567
     70        1           0.000017464   -0.000001717   -0.000063659
     71        1          -0.000005277   -0.000008636   -0.000003344
     72        1           0.000013532   -0.000054253    0.000010122
     73        1           0.000115873   -0.000071832   -0.000028988
     74        6          -0.000157299   -0.000249214   -0.000162449
     75        1           0.000127085    0.000028382   -0.000030731
     76        1           0.000011050   -0.000028215   -0.000061728
     77        1           0.000017946    0.000155929   -0.000012145
     78        6          -0.000190462   -0.000059662   -0.000106462
     79        1           0.000034980    0.000014992    0.000027774
     80        1          -0.000014732    0.000012419   -0.000019799
     81        1           0.000014733   -0.000043417   -0.000012794
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000896895 RMS     0.000183843

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000463714 RMS     0.000087355
 Search for a local minimum.
 Step number  32 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32
 DE= -6.46D-05 DEPred=-6.14D-05 R= 1.05D+00
 TightC=F SS=  1.41D+00  RLast= 2.12D-01 DXNew= 5.0454D+00 6.3642D-01
 Trust test= 1.05D+00 RLast= 2.12D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00081   0.00157   0.00189   0.00230   0.00230
     Eigenvalues ---    0.00232   0.00240   0.00377   0.00483   0.00507
     Eigenvalues ---    0.00535   0.00601   0.00652   0.00702   0.00730
     Eigenvalues ---    0.00779   0.00814   0.00859   0.00870   0.00976
     Eigenvalues ---    0.01174   0.01245   0.01287   0.01362   0.01424
     Eigenvalues ---    0.01525   0.01600   0.01708   0.01741   0.01753
     Eigenvalues ---    0.01804   0.01862   0.01882   0.01915   0.01941
     Eigenvalues ---    0.02008   0.02071   0.02151   0.02221   0.02272
     Eigenvalues ---    0.02279   0.02307   0.02511   0.02652   0.02737
     Eigenvalues ---    0.02920   0.03252   0.03625   0.03923   0.03945
     Eigenvalues ---    0.04103   0.04139   0.04283   0.04416   0.04509
     Eigenvalues ---    0.04626   0.04844   0.04992   0.05282   0.05340
     Eigenvalues ---    0.05366   0.05381   0.05391   0.05424   0.05443
     Eigenvalues ---    0.05508   0.05510   0.05518   0.05534   0.05555
     Eigenvalues ---    0.05920   0.06096   0.06835   0.06929   0.07051
     Eigenvalues ---    0.07475   0.07496   0.07686   0.07910   0.08307
     Eigenvalues ---    0.08528   0.08907   0.09258   0.09342   0.09473
     Eigenvalues ---    0.09704   0.10020   0.10429   0.10721   0.11022
     Eigenvalues ---    0.12017   0.12261   0.12586   0.12876   0.12924
     Eigenvalues ---    0.13017   0.13430   0.14390   0.14607   0.15107
     Eigenvalues ---    0.15370   0.15745   0.15880   0.15923   0.15974
     Eigenvalues ---    0.15982   0.15990   0.15994   0.15995   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16000   0.16002   0.16004
     Eigenvalues ---    0.16007   0.16009   0.16011   0.16011   0.16023
     Eigenvalues ---    0.16039   0.16052   0.16078   0.16099   0.16120
     Eigenvalues ---    0.16212   0.16254   0.16348   0.16419   0.16530
     Eigenvalues ---    0.16637   0.18405   0.20422   0.20742   0.21229
     Eigenvalues ---    0.21400   0.22244   0.22354   0.22442   0.22765
     Eigenvalues ---    0.22793   0.22991   0.23110   0.23559   0.23826
     Eigenvalues ---    0.24062   0.24209   0.24452   0.24675   0.25107
     Eigenvalues ---    0.25343   0.26057   0.27248   0.27650   0.27841
     Eigenvalues ---    0.28191   0.28244   0.28474   0.29175   0.30287
     Eigenvalues ---    0.30834   0.31036   0.31559   0.31717   0.31925
     Eigenvalues ---    0.33607   0.33622   0.33629   0.33664   0.33670
     Eigenvalues ---    0.33779   0.33808   0.33864   0.33874   0.33915
     Eigenvalues ---    0.33934   0.33943   0.33984   0.34000   0.34004
     Eigenvalues ---    0.34031   0.34060   0.34074   0.34089   0.34127
     Eigenvalues ---    0.34142   0.34179   0.34187   0.34194   0.34206
     Eigenvalues ---    0.34292   0.34308   0.34418   0.34643   0.35356
     Eigenvalues ---    0.35634   0.35765   0.36156   0.36236   0.36341
     Eigenvalues ---    0.36518   0.36556   0.38750   0.39084   0.39585
     Eigenvalues ---    0.39965   0.42292   0.42616   0.42769   0.44001
     Eigenvalues ---    0.45298   0.45429   0.45442   0.45506   0.45583
     Eigenvalues ---    0.45602   0.45644   0.46401   0.48889   0.49273
     Eigenvalues ---    0.49543   0.49832   0.50113   0.52385   0.54530
     Eigenvalues ---    0.54885   0.55087   0.57270   0.66618   0.73172
     Eigenvalues ---    0.765771000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    32   31   30   29   28
 RFO step:  Lambda=-9.57397413D-06.
 DidBck=F Rises=F RFO-DIIS coefs:    0.93496    0.44700   -0.45615   -0.09237    0.16656
 Iteration  1 RMS(Cart)=  0.00949683 RMS(Int)=  0.00004325
 Iteration  2 RMS(Cart)=  0.00006557 RMS(Int)=  0.00002354
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00002354
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00007   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00006   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00009   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00005   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00012   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969  -0.00011   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00002   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00007   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00003   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00009   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00002   0.00000   0.00000   0.00000   4.09468
    R1        2.93133  -0.00033  -0.00033  -0.00034  -0.00066   2.93067
    R2        2.07184  -0.00006   0.00029  -0.00017   0.00013   2.07196
    R3        2.07144  -0.00037  -0.00024  -0.00037  -0.00063   2.07081
    R4        2.07762  -0.00033  -0.00010  -0.00028  -0.00038   2.07724
    R5        2.84192  -0.00009  -0.00015   0.00018   0.00001   2.84193
    R6        2.07099  -0.00043  -0.00010  -0.00040  -0.00050   2.07049
    R7        2.08113  -0.00046   0.00004  -0.00059  -0.00055   2.08059
    R8        2.62111  -0.00017  -0.00024   0.00014  -0.00009   2.62102
    R9        2.65360   0.00020   0.00010   0.00024   0.00033   2.65393
   R10        2.65792   0.00024   0.00013   0.00044   0.00057   2.65848
   R11        2.04194   0.00013   0.00003   0.00015   0.00018   2.04212
   R12        2.59587  -0.00013  -0.00030  -0.00012  -0.00044   2.59543
   R13        1.91172  -0.00002  -0.00001   0.00000  -0.00001   1.91172
   R14        2.53357   0.00012   0.00000   0.00015   0.00014   2.53371
   R15        2.03587   0.00006   0.00008   0.00006   0.00014   2.03601
   R16        4.15571   0.00006   0.00477  -0.00398   0.00078   4.15649
   R17        2.91844   0.00012   0.00016   0.00022   0.00037   2.91881
   R18        2.07381  -0.00002   0.00017  -0.00006   0.00010   2.07391
   R19        2.07773  -0.00010   0.00001  -0.00011  -0.00010   2.07763
   R20        2.07585  -0.00004  -0.00041   0.00001  -0.00040   2.07545
   R21        2.92791  -0.00005  -0.00012  -0.00038  -0.00050   2.92741
   R22        2.07739  -0.00001  -0.00003  -0.00002  -0.00006   2.07734
   R23        2.07300   0.00001   0.00005   0.00000   0.00005   2.07306
   R24        2.88460   0.00007  -0.00026   0.00005  -0.00022   2.88438
   R25        2.07125  -0.00004  -0.00008  -0.00004  -0.00012   2.07113
   R26        2.07698   0.00002   0.00006   0.00013   0.00018   2.07716
   R27        2.40863  -0.00039  -0.00016  -0.00027  -0.00043   2.40820
   R28        2.52711   0.00008  -0.00002  -0.00007  -0.00008   2.52703
   R29        4.21528  -0.00018  -0.00071  -0.00771  -0.00842   4.20686
   R30        2.56223  -0.00009  -0.00034   0.00039   0.00005   2.56228
   R31        2.91565   0.00005  -0.00017   0.00010  -0.00004   2.91562
   R32        2.07195  -0.00001  -0.00013   0.00002  -0.00012   2.07182
   R33        2.07031   0.00002   0.00003   0.00005   0.00008   2.07039
   R34        2.07374  -0.00006   0.00014  -0.00008   0.00006   2.07380
   R35        2.84610   0.00005   0.00006   0.00012   0.00017   2.84628
   R36        2.07951  -0.00002  -0.00009  -0.00004  -0.00013   2.07938
   R37        2.08034  -0.00004  -0.00003  -0.00005  -0.00009   2.08026
   R38        2.61991   0.00005  -0.00015   0.00017   0.00000   2.61991
   R39        2.65660  -0.00002   0.00035  -0.00004   0.00032   2.65692
   R40        2.65655  -0.00005   0.00016   0.00008   0.00022   2.65677
   R41        2.03486   0.00007   0.00010  -0.00002   0.00007   2.03493
   R42        2.59551  -0.00002  -0.00010  -0.00005  -0.00014   2.59537
   R43        1.91280  -0.00001  -0.00002   0.00000  -0.00001   1.91278
   R44        2.53206  -0.00001  -0.00009   0.00002  -0.00008   2.53198
   R45        2.03592  -0.00001   0.00007  -0.00005   0.00002   2.03593
   R46        4.07711  -0.00014   0.00016   0.00095   0.00110   4.07821
   R47        2.91796   0.00005   0.00019   0.00022   0.00040   2.91837
   R48        2.07265  -0.00003   0.00009  -0.00010  -0.00001   2.07264
   R49        2.07234   0.00002  -0.00035   0.00011  -0.00025   2.07209
   R50        2.07071  -0.00006   0.00011  -0.00013  -0.00002   2.07068
   R51        2.84456  -0.00001  -0.00008   0.00007  -0.00001   2.84455
   R52        2.07868  -0.00002  -0.00002  -0.00004  -0.00005   2.07862
   R53        2.07873  -0.00001   0.00005  -0.00009  -0.00003   2.07870
   R54        2.62241  -0.00003  -0.00007   0.00009   0.00002   2.62243
   R55        2.65344   0.00000  -0.00017   0.00000  -0.00017   2.65327
   R56        2.64869  -0.00004   0.00009  -0.00017  -0.00008   2.64861
   R57        2.03604  -0.00001  -0.00004  -0.00001  -0.00005   2.03599
   R58        2.60178  -0.00005  -0.00007  -0.00009  -0.00016   2.60161
   R59        1.91292  -0.00001   0.00001   0.00000   0.00001   1.91293
   R60        2.52655   0.00002  -0.00006   0.00022   0.00017   2.52672
   R61        2.03649   0.00000   0.00001   0.00004   0.00006   2.03654
   R62        4.04943  -0.00013  -0.00120  -0.00179  -0.00299   4.04644
   R63        3.84281  -0.00022  -0.00160  -0.00238  -0.00398   3.83883
   R64        4.43311   0.00044   0.00123   0.00925   0.01050   4.44361
   R65        4.33037  -0.00008  -0.00102   0.00220   0.00121   4.33158
   R66        1.85661  -0.00012   0.00031   0.00008   0.00039   1.85700
   R67        2.08648   0.00042  -0.00079   0.00144   0.00065   2.08713
   R68        2.39700  -0.00002  -0.00005  -0.00004  -0.00009   2.39691
   R69        2.58344  -0.00025  -0.00006  -0.00011  -0.00019   2.58325
   R70        2.86724   0.00019  -0.00002   0.00041   0.00039   2.86763
   R71        2.76944  -0.00003   0.00007  -0.00003   0.00002   2.76946
   R72        1.91426  -0.00004   0.00000  -0.00004  -0.00005   1.91422
   R73        2.90226  -0.00003  -0.00029   0.00009  -0.00022   2.90204
   R74        2.07388   0.00004  -0.00004   0.00009   0.00006   2.07394
   R75        2.06947  -0.00001  -0.00011   0.00002  -0.00009   2.06938
   R76        2.41310  -0.00012  -0.00012  -0.00015  -0.00027   2.41283
   R77        2.54993  -0.00018   0.00024  -0.00016   0.00008   2.55001
   R78        1.91783  -0.00002  -0.00003   0.00002  -0.00002   1.91781
   R79        2.78972  -0.00024   0.00032  -0.00021   0.00011   2.78984
   R80        2.06880   0.00000  -0.00028   0.00007  -0.00021   2.06859
   R81        2.06353  -0.00002   0.00017  -0.00009   0.00008   2.06361
   R82        2.07187  -0.00001  -0.00026   0.00013  -0.00013   2.07175
   R83        2.07215  -0.00003  -0.00010   0.00000  -0.00010   2.07205
   R84        2.06858  -0.00002   0.00008  -0.00003   0.00005   2.06863
   R85        2.06901  -0.00004   0.00001  -0.00002  -0.00001   2.06900
    A1        1.92347   0.00007  -0.00048   0.00071   0.00022   1.92369
    A2        1.93585  -0.00008   0.00044  -0.00053  -0.00009   1.93576
    A3        1.95305  -0.00002  -0.00021  -0.00008  -0.00029   1.95276
    A4        1.88816   0.00001   0.00014   0.00002   0.00017   1.88833
    A5        1.87362  -0.00001   0.00022  -0.00008   0.00014   1.87376
    A6        1.88732   0.00004  -0.00010  -0.00004  -0.00013   1.88719
    A7        1.98695   0.00006  -0.00004   0.00039   0.00031   1.98726
    A8        1.90958  -0.00004   0.00008   0.00011   0.00021   1.90978
    A9        1.90694  -0.00006   0.00021  -0.00072  -0.00051   1.90643
   A10        1.88004  -0.00001   0.00018   0.00026   0.00045   1.88048
   A11        1.91920   0.00004  -0.00028   0.00002  -0.00025   1.91895
   A12        1.85649   0.00002  -0.00016  -0.00006  -0.00022   1.85627
   A13        2.30431  -0.00015   0.00044   0.00032   0.00077   2.30508
   A14        2.14690   0.00016  -0.00039  -0.00019  -0.00061   2.14629
   A15        1.83197   0.00000  -0.00004  -0.00012  -0.00016   1.83181
   A16        1.91619  -0.00002   0.00009  -0.00003   0.00004   1.91623
   A17        2.24179   0.00003   0.00025   0.00039   0.00065   2.24244
   A18        2.12502  -0.00001  -0.00036  -0.00032  -0.00068   2.12434
   A19        1.89552   0.00008   0.00000   0.00021   0.00021   1.89573
   A20        2.19076   0.00004  -0.00019   0.00005  -0.00014   2.19062
   A21        2.19686  -0.00012   0.00018  -0.00027  -0.00009   2.19676
   A22        1.92307  -0.00006   0.00013  -0.00005   0.00008   1.92315
   A23        2.16212   0.00000  -0.00024   0.00011  -0.00013   2.16199
   A24        2.19799   0.00006   0.00010  -0.00006   0.00004   2.19803
   A25        1.85804   0.00000  -0.00017  -0.00001  -0.00018   1.85786
   A26        2.20573   0.00027   0.00045   0.00208   0.00256   2.20829
   A27        2.21719  -0.00027  -0.00032  -0.00162  -0.00197   2.21522
   A28        1.93625  -0.00003  -0.00052  -0.00028  -0.00079   1.93546
   A29        1.93455  -0.00002   0.00000   0.00001   0.00000   1.93456
   A30        1.93378   0.00006   0.00030   0.00045   0.00075   1.93453
   A31        1.88834   0.00003  -0.00048   0.00008  -0.00040   1.88794
   A32        1.88582  -0.00001   0.00029  -0.00011   0.00018   1.88600
   A33        1.88321  -0.00003   0.00043  -0.00015   0.00027   1.88349
   A34        1.97154   0.00001  -0.00028  -0.00024  -0.00052   1.97102
   A35        1.91207   0.00004   0.00033   0.00032   0.00066   1.91272
   A36        1.91219  -0.00004  -0.00013  -0.00015  -0.00029   1.91190
   A37        1.90071  -0.00003  -0.00016   0.00006  -0.00009   1.90062
   A38        1.88949   0.00003   0.00045   0.00018   0.00063   1.89012
   A39        1.87529  -0.00001  -0.00022  -0.00017  -0.00039   1.87491
   A40        1.93924   0.00007   0.00118   0.00012   0.00128   1.94052
   A41        1.93995   0.00002  -0.00048   0.00050   0.00003   1.93998
   A42        1.90249   0.00002   0.00001   0.00040   0.00041   1.90291
   A43        1.90536  -0.00006  -0.00064  -0.00041  -0.00105   1.90431
   A44        1.88897  -0.00002  -0.00017  -0.00008  -0.00024   1.88873
   A45        1.88637  -0.00003   0.00008  -0.00056  -0.00048   1.88589
   A46        2.10562   0.00002   0.00116  -0.00007   0.00108   2.10670
   A47        2.04053  -0.00010  -0.00084   0.00006  -0.00076   2.03976
   A48        2.13636   0.00008  -0.00035   0.00003  -0.00032   2.13604
   A49        1.80998   0.00000   0.00004   0.00081   0.00084   1.81082
   A50        1.84311   0.00009   0.00075  -0.00038   0.00038   1.84348
   A51        1.93860  -0.00003   0.00017  -0.00008   0.00008   1.93868
   A52        1.92266  -0.00001   0.00030  -0.00004   0.00025   1.92291
   A53        1.94146   0.00005  -0.00020   0.00014  -0.00006   1.94140
   A54        1.88473   0.00001  -0.00033   0.00018  -0.00014   1.88459
   A55        1.89208  -0.00001   0.00008  -0.00008   0.00001   1.89209
   A56        1.88240  -0.00001  -0.00003  -0.00012  -0.00015   1.88225
   A57        1.97575   0.00006  -0.00069   0.00055  -0.00016   1.97559
   A58        1.90152  -0.00003   0.00003  -0.00018  -0.00014   1.90138
   A59        1.90742   0.00001   0.00017   0.00007   0.00025   1.90768
   A60        1.90455  -0.00002   0.00062  -0.00012   0.00050   1.90505
   A61        1.91254   0.00000  -0.00023  -0.00011  -0.00033   1.91221
   A62        1.85835  -0.00002   0.00015  -0.00027  -0.00012   1.85823
   A63        2.32077  -0.00009  -0.00030   0.00014  -0.00021   2.32056
   A64        2.13603   0.00013   0.00038  -0.00009   0.00031   2.13634
   A65        1.82616  -0.00003   0.00000  -0.00003  -0.00004   1.82612
   A66        1.91853  -0.00002   0.00007  -0.00010  -0.00002   1.91851
   A67        2.24656   0.00002  -0.00004   0.00020   0.00015   2.24671
   A68        2.11751  -0.00001   0.00001  -0.00013  -0.00012   2.11739
   A69        1.90143   0.00005  -0.00016   0.00012  -0.00004   1.90138
   A70        2.18854   0.00000   0.00006  -0.00005   0.00001   2.18855
   A71        2.19291  -0.00005   0.00010  -0.00013  -0.00003   2.19288
   A72        1.91746  -0.00005   0.00022  -0.00008   0.00013   1.91758
   A73        2.18527   0.00003  -0.00006   0.00015   0.00010   2.18537
   A74        2.17982   0.00002  -0.00016  -0.00009  -0.00024   2.17958
   A75        1.86118   0.00005  -0.00012   0.00008  -0.00003   1.86115
   A76        2.18950   0.00008   0.00010   0.00069   0.00073   2.19023
   A77        2.20202  -0.00012  -0.00012  -0.00040  -0.00043   2.20159
   A78        1.94220  -0.00001  -0.00015   0.00002  -0.00013   1.94207
   A79        1.94039   0.00003   0.00000  -0.00010  -0.00010   1.94028
   A80        1.92528   0.00000  -0.00038   0.00006  -0.00032   1.92496
   A81        1.89027  -0.00001   0.00013   0.00006   0.00019   1.89046
   A82        1.87712   0.00000   0.00007  -0.00009  -0.00003   1.87709
   A83        1.88644  -0.00001   0.00036   0.00006   0.00042   1.88685
   A84        1.95917   0.00005  -0.00008   0.00008   0.00000   1.95917
   A85        1.90748   0.00000  -0.00001   0.00010   0.00009   1.90757
   A86        1.90640  -0.00001  -0.00007  -0.00015  -0.00022   1.90619
   A87        1.91174   0.00001   0.00006   0.00014   0.00020   1.91194
   A88        1.92021  -0.00005   0.00001  -0.00015  -0.00013   1.92008
   A89        1.85594   0.00001   0.00010  -0.00003   0.00006   1.85600
   A90        2.30216   0.00006  -0.00026  -0.00020  -0.00045   2.30171
   A91        2.15457  -0.00006   0.00030   0.00003   0.00034   2.15492
   A92        1.82640   0.00000  -0.00006   0.00017   0.00012   1.82651
   A93        1.91793  -0.00003   0.00006  -0.00025  -0.00019   1.91774
   A94        2.24938   0.00005  -0.00012   0.00030   0.00018   2.24956
   A95        2.11587  -0.00002   0.00005  -0.00005   0.00001   2.11588
   A96        1.89952   0.00003   0.00010  -0.00002   0.00008   1.89960
   A97        2.19058  -0.00002   0.00015   0.00005   0.00020   2.19078
   A98        2.19294  -0.00001  -0.00021  -0.00003  -0.00024   2.19270
   A99        1.91579  -0.00005   0.00001  -0.00015  -0.00015   1.91564
   A100       2.18850   0.00002   0.00019   0.00002   0.00021   2.18870
   A101       2.17864   0.00003  -0.00017   0.00008  -0.00008   2.17856
   A102       1.86511   0.00005  -0.00010   0.00024   0.00014   1.86525
   A103       2.20833   0.00012  -0.00026   0.00102   0.00076   2.20909
   A104       2.19480  -0.00016   0.00025  -0.00100  -0.00075   2.19405
   A105       1.69822   0.00002  -0.00014   0.00184   0.00172   1.69994
   A106       1.55543   0.00004   0.00009   0.00026   0.00036   1.55579
   A107       1.67732  -0.00002   0.00081   0.00261   0.00348   1.68080
   A108       3.00847   0.00007   0.00006  -0.00068  -0.00044   3.00803
   A109       1.66471   0.00004   0.00069   0.00025   0.00088   1.66559
   A110       1.73208  -0.00015  -0.00037  -0.00316  -0.00350   1.72858
   A111       1.60139   0.00020   0.00054   0.00178   0.00237   1.60375
   A112       1.48934  -0.00004  -0.00071  -0.00143  -0.00207   1.48726
   A113       2.90649  -0.00006  -0.00047  -0.00110  -0.00155   2.90494
   A114       2.91732  -0.00006  -0.00106  -0.00043  -0.00119   2.91613
   A115       1.45532   0.00003   0.00007  -0.00082  -0.00081   1.45451
   A116       1.49140   0.00015   0.00024   0.00056   0.00072   1.49212
   A117       1.58747  -0.00006  -0.00085  -0.00216  -0.00302   1.58446
   A118       1.43784  -0.00021  -0.00066  -0.00003  -0.00069   1.43715
   A119       1.44276  -0.00002   0.00016  -0.00091  -0.00080   1.44196
   A120       2.10648   0.00009  -0.00068   0.00114   0.00046   2.10694
   A121       2.18448  -0.00005  -0.00095  -0.00368  -0.00464   2.17984
   A122       1.78534  -0.00009   0.00016  -0.00126  -0.00111   1.78423
   A123       2.03486   0.00027   0.00025   0.00269   0.00295   2.03781
   A124       2.93510  -0.00036  -0.00066  -0.00196  -0.00263   2.93247
   A125       2.13005   0.00018   0.00057   0.00018   0.00077   2.13082
   A126       2.11442  -0.00014  -0.00006  -0.00012  -0.00019   2.11423
   A127       2.03861  -0.00004  -0.00052  -0.00007  -0.00060   2.03802
   A128       2.30574  -0.00024  -0.00084  -0.00236  -0.00313   2.30261
   A129       2.14531   0.00013   0.00027   0.00034   0.00062   2.14592
   A130       2.07051  -0.00010  -0.00020  -0.00016  -0.00036   2.07015
   A131       2.06698  -0.00003  -0.00014  -0.00012  -0.00025   2.06673
   A132       1.98118  -0.00003  -0.00061  -0.00019  -0.00081   1.98037
   A133       1.90384  -0.00006   0.00011  -0.00062  -0.00050   1.90335
   A134       1.90170   0.00006  -0.00010   0.00022   0.00011   1.90182
   A135       1.82013   0.00003  -0.00017   0.00059   0.00041   1.82055
   A136       1.94878   0.00002   0.00062  -0.00005   0.00058   1.94936
   A137       1.90542  -0.00002   0.00017   0.00004   0.00021   1.90564
   A138       2.09907  -0.00004   0.00007  -0.00032  -0.00024   2.09883
   A139       2.03154   0.00002   0.00054   0.00038   0.00092   2.03246
   A140       2.15062   0.00002  -0.00074  -0.00016  -0.00091   2.14971
   A141       2.07175   0.00029   0.00179   0.00018   0.00199   2.07374
   A142       2.06389   0.00005   0.00008  -0.00005   0.00003   2.06392
   A143       2.16058  -0.00007  -0.00156  -0.00038  -0.00194   2.15864
   A144       2.03980   0.00000   0.00059  -0.00018   0.00041   2.04021
   A145       1.91306   0.00006   0.00004  -0.00009  -0.00005   1.91301
   A146       1.89567  -0.00003  -0.00020  -0.00010  -0.00030   1.89537
   A147       1.90441  -0.00001   0.00035   0.00011   0.00047   1.90487
   A148       1.91037   0.00006  -0.00009   0.00034   0.00025   1.91061
   A149       1.93147  -0.00012   0.00081  -0.00093  -0.00012   1.93134
   A150       1.90849   0.00005  -0.00093   0.00069  -0.00025   1.90824
   A151       1.90551  -0.00007   0.00077  -0.00046   0.00030   1.90581
   A152       1.90351   0.00003  -0.00027   0.00025  -0.00002   1.90349
   A153       1.97633   0.00004  -0.00013   0.00023   0.00010   1.97643
   A154       1.87636   0.00000  -0.00015   0.00005  -0.00010   1.87627
   A155       1.89328   0.00001  -0.00005  -0.00009  -0.00013   1.89315
   A156       1.90627  -0.00002  -0.00017   0.00001  -0.00016   1.90612
    D1        3.11150  -0.00002   0.00096  -0.00070   0.00026   3.11176
    D2        1.00724  -0.00001   0.00070  -0.00137  -0.00067   1.00657
    D3       -1.01875   0.00002   0.00072  -0.00095  -0.00023  -1.01899
    D4        1.02097  -0.00003   0.00081  -0.00086  -0.00004   1.02093
    D5       -1.08329  -0.00002   0.00055  -0.00153  -0.00096  -1.08426
    D6       -3.10929   0.00001   0.00057  -0.00110  -0.00053  -3.10981
    D7       -1.08826   0.00000   0.00078  -0.00038   0.00039  -1.08787
    D8        3.09066   0.00000   0.00051  -0.00105  -0.00054   3.09012
    D9        1.06467   0.00004   0.00054  -0.00063  -0.00010   1.06456
   D10       -2.12530   0.00005   0.00413  -0.00245   0.00168  -2.12362
   D11        1.02215   0.00000   0.00501  -0.00376   0.00125   1.02340
   D12       -0.00455   0.00002   0.00433  -0.00187   0.00247  -0.00209
   D13       -3.14028  -0.00002   0.00522  -0.00319   0.00203  -3.13826
   D14        2.01164   0.00005   0.00410  -0.00179   0.00231   2.01395
   D15       -1.12409   0.00001   0.00499  -0.00311   0.00188  -1.12222
   D16       -3.13620  -0.00001  -0.00036  -0.00048  -0.00086  -3.13705
   D17        0.02630  -0.00007   0.00120  -0.00268  -0.00148   0.02482
   D18        0.00031   0.00003  -0.00113   0.00066  -0.00048  -0.00017
   D19       -3.12038  -0.00003   0.00044  -0.00154  -0.00110  -3.12148
   D20        3.13609   0.00002  -0.00029   0.00086   0.00059   3.13668
   D21       -0.01643  -0.00001  -0.00079   0.00009  -0.00069  -0.01713
   D22       -0.00100  -0.00002   0.00039  -0.00015   0.00025  -0.00074
   D23        3.12966  -0.00005  -0.00011  -0.00092  -0.00103   3.12863
   D24        0.00050  -0.00003   0.00146  -0.00093   0.00054   0.00103
   D25        3.07429   0.00006   0.00125   0.00584   0.00710   3.08139
   D26        3.12284   0.00002   0.00002   0.00110   0.00112   3.12396
   D27       -0.08655   0.00011  -0.00019   0.00787   0.00769  -0.07887
   D28        0.00137   0.00000   0.00052  -0.00044   0.00008   0.00144
   D29       -3.13492  -0.00001   0.00134   0.00035   0.00169  -3.13323
   D30       -3.12924   0.00003   0.00102   0.00034   0.00137  -3.12788
   D31        0.01765   0.00002   0.00185   0.00113   0.00298   0.02063
   D32       -0.00114   0.00002  -0.00120   0.00083  -0.00037  -0.00151
   D33       -3.07435  -0.00010  -0.00099  -0.00619  -0.00720  -3.08154
   D34        3.13502   0.00003  -0.00205   0.00002  -0.00202   3.13300
   D35        0.06181  -0.00008  -0.00184  -0.00700  -0.00885   0.05296
   D36        1.98411   0.00001   0.00122  -0.00115   0.00010   1.98421
   D37       -2.56764  -0.00013   0.00084  -0.00430  -0.00338  -2.57102
   D38        0.36859  -0.00019   0.00061  -0.00351  -0.00297   0.36562
   D39       -2.38282   0.00000  -0.00413   0.00011  -0.00405  -2.38688
   D40       -1.07805   0.00002   0.00112  -0.00371  -0.00264  -1.08069
   D41       -1.23896   0.00013   0.00097   0.00709   0.00809  -1.23087
   D42        0.49247  -0.00002   0.00059   0.00395   0.00462   0.49709
   D43       -2.85449  -0.00007   0.00035   0.00474   0.00503  -2.84946
   D44        0.67729   0.00011  -0.00438   0.00835   0.00395   0.68123
   D45        1.98206   0.00014   0.00086   0.00453   0.00535   1.98741
   D46        1.06155   0.00000   0.00285  -0.00303  -0.00018   1.06137
   D47       -3.09948   0.00000   0.00270  -0.00288  -0.00018  -3.09966
   D48       -1.04636  -0.00001   0.00256  -0.00299  -0.00043  -1.04679
   D49       -1.03676   0.00000   0.00381  -0.00295   0.00085  -1.03592
   D50        1.08539   0.00000   0.00365  -0.00280   0.00085   1.08624
   D51        3.13851  -0.00001   0.00351  -0.00291   0.00060   3.13911
   D52       -3.12701   0.00001   0.00307  -0.00306   0.00002  -3.12699
   D53       -1.00485   0.00001   0.00292  -0.00291   0.00002  -1.00484
   D54        1.04827   0.00000   0.00277  -0.00302  -0.00024   1.04803
   D55       -1.08421   0.00004   0.00093  -0.00246  -0.00152  -1.08572
   D56        1.04138   0.00002   0.00060  -0.00255  -0.00195   1.03943
   D57        3.11879   0.00002   0.00041  -0.00268  -0.00226   3.11653
   D58        3.07043   0.00000   0.00081  -0.00275  -0.00194   3.06849
   D59       -1.08717  -0.00002   0.00047  -0.00285  -0.00237  -1.08954
   D60        0.99024  -0.00002   0.00029  -0.00298  -0.00269   0.98756
   D61        1.03657   0.00001   0.00090  -0.00268  -0.00178   1.03479
   D62       -3.12102  -0.00001   0.00057  -0.00278  -0.00221  -3.12324
   D63       -1.04361  -0.00001   0.00038  -0.00291  -0.00252  -1.04614
   D64       -0.90017   0.00000   0.00256   0.00359   0.00615  -0.89402
   D65        2.20281  -0.00001   0.00163   0.00429   0.00593   2.20874
   D66       -3.04581  -0.00003   0.00282   0.00316   0.00599  -3.03982
   D67        0.05718  -0.00004   0.00190   0.00387   0.00577   0.06294
   D68        1.18809   0.00005   0.00317   0.00410   0.00727   1.19536
   D69       -1.99211   0.00004   0.00225   0.00481   0.00705  -1.98506
   D70        2.96391  -0.00003  -0.00055   0.00186   0.00130   2.96520
   D71       -0.13691  -0.00002   0.00043   0.00112   0.00154  -0.13537
   D72       -2.97596  -0.00001  -0.00049  -0.00271  -0.00321  -2.97917
   D73        0.12628  -0.00002  -0.00140  -0.00200  -0.00340   0.12288
   D74        0.02588  -0.00002   0.00200  -0.00010   0.00191   0.02778
   D75        0.25649   0.00000   0.00171   0.00367   0.00536   0.26185
   D76       -1.04703   0.00001  -0.00005  -0.00096  -0.00101  -1.04804
   D77        1.07532   0.00000   0.00031  -0.00087  -0.00057   1.07474
   D78        3.09931  -0.00003   0.00060  -0.00126  -0.00066   3.09865
   D79       -3.13452   0.00002   0.00006  -0.00110  -0.00105  -3.13557
   D80       -1.01218   0.00001   0.00041  -0.00102  -0.00061  -1.01279
   D81        1.01181  -0.00002   0.00071  -0.00140  -0.00070   1.01112
   D82        1.06225   0.00001   0.00003  -0.00102  -0.00098   1.06126
   D83       -3.09859   0.00000   0.00039  -0.00093  -0.00055  -3.09914
   D84       -1.07460  -0.00003   0.00068  -0.00132  -0.00063  -1.07523
   D85       -0.03551  -0.00003   0.00169  -0.01214  -0.01045  -0.04596
   D86        3.07992  -0.00005   0.00464  -0.01123  -0.00659   3.07333
   D87       -2.15615  -0.00002   0.00166  -0.01219  -0.01052  -2.16668
   D88        0.95928  -0.00003   0.00461  -0.01128  -0.00667   0.95261
   D89        2.09849   0.00001   0.00126  -0.01173  -0.01047   2.08801
   D90       -1.06926   0.00000   0.00421  -0.01082  -0.00662  -1.07588
   D91        3.11406  -0.00001   0.00342   0.00037   0.00378   3.11784
   D92        0.00951   0.00000   0.00215   0.00127   0.00341   0.01292
   D93       -0.00470   0.00000   0.00084  -0.00043   0.00041  -0.00429
   D94       -3.10926   0.00001  -0.00044   0.00048   0.00005  -3.10921
   D95       -3.11563   0.00004  -0.00243   0.00009  -0.00234  -3.11797
   D96        0.00042  -0.00002  -0.00258  -0.00229  -0.00487  -0.00445
   D97        0.00618   0.00003  -0.00021   0.00078   0.00057   0.00675
   D98        3.12223  -0.00003  -0.00037  -0.00160  -0.00196   3.12027
   D99        0.00150  -0.00003  -0.00117  -0.00008  -0.00125   0.00025
   D100      -2.88978  -0.00004  -0.00073  -0.00151  -0.00224  -2.89202
   D101       3.10927  -0.00003  -0.00001  -0.00091  -0.00091   3.10836
   D102       0.21799  -0.00004   0.00043  -0.00233  -0.00190   0.21608
   D103      -0.00556  -0.00005  -0.00052  -0.00088  -0.00139  -0.00696
   D104       3.09902  -0.00004  -0.00036  -0.00128  -0.00164   3.09738
   D105      -3.12153   0.00001  -0.00036   0.00151   0.00114  -3.12039
   D106      -0.01695   0.00002  -0.00021   0.00111   0.00090  -0.01605
   D107       0.00250   0.00005   0.00102   0.00059   0.00160   0.00411
   D108       2.89147   0.00009   0.00060   0.00223   0.00282   2.89428
   D109      -3.10222   0.00004   0.00086   0.00098   0.00184  -3.10038
   D110      -0.21326   0.00008   0.00044   0.00262   0.00305  -0.21021
   D111      -0.48265   0.00000  -0.00602   0.00026  -0.00577  -0.48843
   D112      -2.05860  -0.00001  -0.00604   0.00010  -0.00597  -2.06456
   D113       1.19954   0.00002  -0.00513   0.00322  -0.00186   1.19767
   D114       2.78457  -0.00006  -0.00602   0.00086  -0.00515   2.77942
   D115       2.31295   0.00006  -0.00462   0.01353   0.00887   2.32182
   D116       2.95733  -0.00004  -0.00550  -0.00155  -0.00706   2.95027
   D117       1.38138  -0.00005  -0.00552  -0.00171  -0.00725   1.37414
   D118      -1.64367  -0.00002  -0.00461   0.00141  -0.00315  -1.64681
   D119      -0.05863  -0.00010  -0.00550  -0.00095  -0.00644  -0.06506
   D120      -0.53025   0.00002  -0.00410   0.01172   0.00759  -0.52266
   D121      -1.05704   0.00003  -0.00060   0.00078   0.00018  -1.05686
   D122       3.10149  -0.00001  -0.00061   0.00047  -0.00014   3.10135
   D123       1.07763  -0.00002  -0.00069   0.00054  -0.00015   1.07749
   D124       1.05166   0.00003  -0.00054   0.00080   0.00026   1.05192
   D125      -1.07301  -0.00001  -0.00055   0.00049  -0.00006  -1.07306
   D126      -3.09686  -0.00002  -0.00063   0.00056  -0.00006  -3.09692
   D127      -3.13903   0.00003  -0.00034   0.00084   0.00050  -3.13853
   D128       1.01949  -0.00001  -0.00035   0.00053   0.00019   1.01968
   D129      -1.00436  -0.00001  -0.00043   0.00060   0.00018  -1.00418
   D130       0.35914   0.00000   0.00127   0.00447   0.00575   0.36489
   D131      -2.77007  -0.00004   0.00176   0.00316   0.00492  -2.76515
   D132       2.48137   0.00004   0.00125   0.00476   0.00601   2.48737
   D133      -0.64784  -0.00001   0.00173   0.00344   0.00518  -0.64267
   D134      -1.76768   0.00002   0.00140   0.00472   0.00612  -1.76155
   D135       1.38630  -0.00002   0.00189   0.00340   0.00529   1.39159
   D136      -3.12473  -0.00002  -0.00029   0.00070   0.00042  -3.12431
   D137       0.01886  -0.00008  -0.00061  -0.00079  -0.00140   0.01746
   D138       0.00618   0.00002  -0.00071   0.00184   0.00114   0.00732
   D139      -3.13341  -0.00004  -0.00103   0.00035  -0.00068  -3.13409
   D140       3.12487   0.00006   0.00054   0.00076   0.00129   3.12616
   D141       0.00105   0.00002  -0.00166   0.00025  -0.00141  -0.00036
   D142      -0.00720   0.00002   0.00091  -0.00025   0.00066  -0.00654
   D143      -3.13102  -0.00001  -0.00128  -0.00076  -0.00205  -3.13306
   D144      -0.00290  -0.00006   0.00024  -0.00279  -0.00255  -0.00545
   D145       2.96134  -0.00005  -0.00037  -0.00139  -0.00176   2.95958
   D146       3.13687  -0.00001   0.00053  -0.00143  -0.00089   3.13597
   D147      -0.18207   0.00000  -0.00007  -0.00003  -0.00011  -0.18218
   D148       0.00575  -0.00006  -0.00081  -0.00150  -0.00231   0.00345
   D149      -3.11246   0.00001  -0.00190   0.00085  -0.00105  -3.11351
   D150       3.12954  -0.00003   0.00140  -0.00099   0.00040   3.12994
   D151       0.01133   0.00004   0.00030   0.00136   0.00166   0.01299
   D152      -0.00178   0.00007   0.00035   0.00259   0.00294   0.00117
   D153      -2.96778   0.00003   0.00102   0.00094   0.00197  -2.96581
   D154       3.11659   0.00001   0.00145   0.00026   0.00170   3.11830
   D155       0.15059  -0.00004   0.00211  -0.00139   0.00073   0.15132
   D156      -1.42625  -0.00007   0.00039  -0.00639  -0.00605  -1.43230
   D157       0.27114  -0.00005   0.00025  -0.00450  -0.00427   0.26688
   D158       2.86284  -0.00005  -0.00289  -0.01962  -0.02249   2.84035
   D159       1.73990  -0.00007  -0.00041  -0.00569  -0.00605   1.73384
   D160      -3.09250  -0.00011  -0.00031  -0.00661  -0.00689  -3.09939
   D161       1.50577  -0.00004  -0.00038  -0.00456  -0.00499   1.50078
   D162      -3.08002  -0.00002  -0.00051  -0.00268  -0.00321  -3.08323
   D163      -0.48832  -0.00002  -0.00365  -0.01779  -0.02143  -0.50975
   D164      -1.61127  -0.00003  -0.00117  -0.00386  -0.00500  -1.61626
   D165      -0.16048  -0.00008  -0.00107  -0.00478  -0.00583  -0.16631
   D166       1.77495  -0.00008  -0.00207  -0.00371  -0.00570   1.76924
   D167      -0.60106   0.00005   0.00021   0.00281   0.00310  -0.59796
   D168       0.07264  -0.00012  -0.00199  -0.00587  -0.00787   0.06477
   D169      -2.30337   0.00001   0.00029   0.00065   0.00093  -2.30243
   D170      -2.52672  -0.00010   0.00111   0.00932   0.01045  -2.51627
   D171       1.38047   0.00003   0.00339   0.01585   0.01924   1.39971
   D172      -1.41716  -0.00008  -0.00128  -0.00441  -0.00573  -1.42289
   D173       2.49002   0.00005   0.00100   0.00211   0.00307   2.49309
   D174      -2.85650  -0.00006  -0.00152  -0.00379  -0.00531  -2.86182
   D175       1.05068   0.00007   0.00076   0.00273   0.00349   1.05416
   D176       1.11477  -0.00007   0.00375  -0.00436  -0.00060   1.11417
   D177       3.04414  -0.00009  -0.00157  -0.00283  -0.00445   3.03969
   D178       1.30082   0.00006  -0.00134   0.00009  -0.00126   1.29956
   D179      -1.63892   0.00011  -0.00098  -0.00090  -0.00185  -1.64077
   D180      -0.20437  -0.00009  -0.00153  -0.00067  -0.00217  -0.20654
   D181       2.09957   0.00001   0.00124  -0.00018   0.00108   2.10065
   D182      -0.69737  -0.00005  -0.00010  -0.01346  -0.01356  -0.71092
   D183      -2.63579   0.00005   0.00131   0.00012   0.00144  -2.63435
   D184       0.43349   0.00005   0.00056  -0.00279  -0.00228   0.43121
   D185      -1.17150   0.00007   0.00135  -0.00071   0.00059  -1.17091
   D186      -2.44205   0.00020   0.00030   0.00665   0.00693  -2.43512
   D187       0.08105   0.00009  -0.00192   0.00017  -0.00175   0.07929
   D188       2.11783  -0.00006  -0.00139  -0.00689  -0.00829   2.10953
   D189      -0.36787  -0.00001   0.00074  -0.00240  -0.00166  -0.36953
   D190       0.89626   0.00000  -0.00028   0.00217   0.00192   0.89818
   D191      -2.26130  -0.00006  -0.00037   0.00074   0.00040  -2.26090
   D192       0.08065   0.00002   0.00193  -0.00251  -0.00056   0.08009
   D193      -3.09120   0.00001  -0.00005  -0.00015  -0.00019  -3.09139
   D194      -3.04563   0.00008   0.00201  -0.00114   0.00089  -3.04474
   D195       0.06570   0.00006   0.00003   0.00122   0.00126   0.06696
   D196      -1.15478   0.00003   0.00025  -0.00037  -0.00012  -1.15490
   D197       0.89084   0.00002   0.00035  -0.00043  -0.00008   0.89076
   D198       3.01720   0.00004  -0.00015  -0.00008  -0.00023   3.01697
   D199       1.97165  -0.00002   0.00018  -0.00173  -0.00155   1.97010
   D200      -2.26592  -0.00003   0.00028  -0.00179  -0.00151  -2.26743
   D201      -0.13956  -0.00001  -0.00022  -0.00144  -0.00166  -0.14121
   D202      -1.44394   0.00003  -0.00102  -0.00051  -0.00152  -1.44546
   D203       0.57719   0.00000  -0.00153  -0.00029  -0.00181   0.57538
   D204       2.65583  -0.00002  -0.00131  -0.00047  -0.00178   2.65405
   D205       1.72786   0.00004   0.00096  -0.00286  -0.00188   1.72597
   D206      -2.53420   0.00002   0.00046  -0.00264  -0.00218  -2.53638
   D207      -0.45556  -0.00001   0.00067  -0.00282  -0.00214  -0.45771
   D208       0.70568  -0.00007  -0.00005   0.00061   0.00057   0.70625
   D209      -2.50096  -0.00014  -0.00203  -0.00109  -0.00312  -2.50408
   D210      -1.36428   0.00000   0.00025   0.00108   0.00134  -1.36294
   D211       1.71226  -0.00007  -0.00173  -0.00062  -0.00235   1.70992
   D212       2.86363  -0.00001  -0.00017   0.00071   0.00055   2.86418
   D213      -0.34301  -0.00007  -0.00215  -0.00098  -0.00313  -0.34614
   D214       0.98450   0.00000  -0.00058   0.00102   0.00046   0.98496
   D215      -2.08743   0.00007   0.00149   0.00282   0.00432  -2.08311
   D216       0.00032   0.00004  -0.00301   0.00062  -0.00239  -0.00207
   D217      -2.92665   0.00017   0.00177   0.00402   0.00579  -2.92086
   D218       3.07475  -0.00003  -0.00502  -0.00114  -0.00616   3.06859
   D219       0.14778   0.00010  -0.00024   0.00227   0.00202   0.14980
   D220      -2.47310  -0.00011  -0.00171  -0.00446  -0.00618  -2.47928
   D221      -0.38665  -0.00002  -0.00192  -0.00416  -0.00609  -0.39273
   D222       1.69248   0.00002  -0.00295  -0.00333  -0.00629   1.68619
   D223       0.88040   0.00001   0.00304  -0.00111   0.00193   0.88233
   D224       2.96685   0.00010   0.00284  -0.00082   0.00203   2.96888
   D225      -1.23721   0.00014   0.00181   0.00002   0.00183  -1.23538
         Item               Value     Threshold  Converged?
 Maximum Force            0.000464     0.000450     NO 
 RMS     Force            0.000088     0.000300     YES
 Maximum Displacement     0.058451     0.001800     NO 
 RMS     Displacement     0.009488     0.001200     NO 
 Predicted change in Energy=-2.304415D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.032371    2.569636    3.573794
      2          6           0       -3.279203    1.217128    3.666380
      3          6           0       -2.043601    1.149112    2.811785
      4          6           0       -1.666833    0.290942    1.789381
      5          7           0       -0.970250    2.044590    2.947342
      6          6           0       -0.003062    1.711690    2.030788
      7          7           0       -0.394338    0.651196    1.309709
      8          6           0       -5.214775    0.928263    0.169267
      9          6           0       -5.881516   -0.151580   -0.711126
     10          6           0       -5.257166   -1.556348   -0.519865
     11          6           0       -3.786078   -1.566148   -0.926727
     12          8           0       -3.421399   -1.112091   -2.060235
     13          8           0       -2.912616   -2.026453   -0.024836
     14          6           0       -2.242599    4.241158   -2.979600
     15          6           0       -1.009583    3.798209   -3.794423
     16          6           0       -0.195254    2.733951   -3.106807
     17          6           0       -0.305309    2.109076   -1.874120
     18          7           0        0.923005    2.132931   -3.711006
     19          6           0        1.435486    1.186213   -2.858163
     20          7           0        0.712399    1.149768   -1.730753
     21          6           0        4.726424    3.971763    1.465343
     22          6           0        5.188272    2.593862    1.987889
     23          6           0        4.214209    1.498570    1.645288
     24          6           0        3.226285    1.407524    0.674976
     25          7           0        4.144512    0.279598    2.338546
     26          6           0        3.141163   -0.487050    1.790015
     27          7           0        2.567692    0.174744    0.779598
     28         30           0        0.770037   -0.401211   -0.231248
     29          1           0       -4.936122    2.543336    4.194046
     30          1           0       -4.332183    2.780458    2.541077
     31          1           0       -3.415369    3.407327    3.928597
     32          1           0       -3.946524    0.406348    3.353679
     33          1           0       -3.020226    1.017496    4.717700
     34          1           0       -2.221808   -0.533151    1.364338
     35          1           0       -0.925251    2.812886    3.603929
     36          1           0        0.932189    2.236480    1.927263
     37          1           0       -4.149436    1.028931   -0.074347
     38          1           0       -5.300037    0.671602    1.234919
     39          1           0       -5.692486    1.905548    0.017861
     40          1           0       -6.954900   -0.204552   -0.479919
     41          1           0       -5.786478    0.126523   -1.768040
     42          1           0       -5.343852   -1.889330    0.520718
     43          1           0       -5.793796   -2.276360   -1.153756
     44          1           0       -2.918408    3.397395   -2.796968
     45          1           0       -2.800724    5.009280   -3.526257
     46          1           0       -1.947752    4.664918   -2.011203
     47          1           0       -1.344429    3.421031   -4.772385
     48          1           0       -0.374520    4.673925   -3.998472
     49          1           0       -1.047710    2.256247   -1.108115
     50          1           0        1.275287    2.346398   -4.635605
     51          1           0        2.271034    0.541674   -3.075318
     52          1           0        4.626687    3.970094    0.373095
     53          1           0        3.760406    4.256292    1.899125
     54          1           0        5.458636    4.743122    1.729081
     55          1           0        5.317272    2.643562    3.079128
     56          1           0        6.178643    2.361344    1.569439
     57          1           0        2.947996    2.127517   -0.076659
     58          1           0        4.727577    0.014643    3.122477
     59          1           0        2.842248   -1.463478    2.134487
     60          8           0       -0.802816   -1.369949   -1.076442
     61          1           0       -1.201037   -1.045214   -1.914075
     62          1           0       -1.685527   -1.741603   -0.526418
     63          6           0        2.949297   -2.543067   -1.568208
     64          8           0        2.262518   -1.483754   -1.690684
     65          7           0        2.392480   -3.728133   -1.175466
     66          6           0        0.953168   -3.899775   -0.959347
     67          6           0        0.482834   -3.432914    0.425996
     68          8           0        0.955212   -2.363390    0.939061
     69          7           0       -0.493643   -4.161381    1.006283
     70          1           0        0.406338   -3.258066   -1.661949
     71          1           0        0.687516   -4.945659   -1.145717
     72          1           0        2.997548   -4.531123   -1.052229
     73          1           0       -0.858606   -4.963293    0.502612
     74          6           0       -1.250161   -3.717835    2.193913
     75          1           0       -1.438442   -4.573487    2.850167
     76          1           0       -0.655422   -2.973638    2.727723
     77          1           0       -2.194002   -3.263797    1.869981
     78          6           0        4.435211   -2.554806   -1.875906
     79          1           0        4.582801   -2.377484   -2.947840
     80          1           0        4.918438   -1.733736   -1.336796
     81          1           0        4.924089   -3.497622   -1.609762
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968965      0.0726353      0.0660888
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.7857258141 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33682 LenP2D=  122073.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999999   -0.000235    0.001122   -0.000338 Ang=  -0.14 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97573202     A.U. after    9 cycles
            NFock=  9  Conv=0.88D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33682 LenP2D=  122073.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000026094    0.000232272    0.000049354
      3        6          -0.000103778    0.000100472    0.000094619
      4        6           0.000475845   -0.000287206   -0.000031928
      5        7          -0.000020535    0.000021468   -0.000009415
      6        6          -0.000056860   -0.000251869   -0.000084028
      7        7          -0.000278329    0.000883086    0.000299138
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000013706    0.000041306    0.000018288
     10        6           0.000188932   -0.000028478   -0.000051504
     11        6          -0.000121936   -0.000290414   -0.000178427
     12        8           0.000007656   -0.000045874    0.000096751
     13        8          -0.000111044   -0.000050910    0.000041259
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000015133    0.000065125    0.000071518
     16        6          -0.000172492   -0.000160497   -0.000150229
     17        6          -0.000165723   -0.000022908    0.000070529
     18        7           0.000190401    0.000012184    0.000157283
     19        6          -0.000292753   -0.000058021    0.000067120
     20        7           0.000192971    0.000202624   -0.000055910
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000045036    0.000016122    0.000025999
     23        6           0.000190823   -0.000115869    0.000053886
     24        6          -0.000136443    0.000065894   -0.000034236
     25        7          -0.000103873    0.000051470   -0.000077292
     26        6           0.000161249    0.000066171    0.000077145
     27        7          -0.000121214   -0.000149907   -0.000161622
     28       30           0.000570337   -0.000937970    0.000198205
     29        1          -0.000071787   -0.000070495   -0.000060276
     30        1          -0.000075272    0.000068351    0.000119796
     31        1           0.000077183    0.000165468   -0.000082599
     32        1          -0.000079604   -0.000225879    0.000073142
     33        1           0.000135422   -0.000075764   -0.000224779
     34        1           0.000002772    0.000071600   -0.000027060
     35        1          -0.000035837   -0.000054901   -0.000048661
     36        1           0.000017473   -0.000049821   -0.000020268
     37        1           0.000042755   -0.000016352   -0.000013984
     38        1           0.000080929   -0.000019637   -0.000047843
     39        1           0.000060497   -0.000045474    0.000022241
     40        1           0.000007484    0.000001320    0.000020345
     41        1          -0.000015662   -0.000001905    0.000009249
     42        1           0.000011605    0.000063045   -0.000023826
     43        1          -0.000016406    0.000030443    0.000032356
     44        1          -0.000028729    0.000033723   -0.000006155
     45        1          -0.000028126   -0.000020816   -0.000011207
     46        1           0.000056700    0.000034268   -0.000054085
     47        1          -0.000036555   -0.000000376   -0.000034615
     48        1           0.000048560    0.000002490   -0.000029535
     49        1           0.000039965    0.000015777    0.000024831
     50        1          -0.000008324    0.000023870   -0.000007196
     51        1           0.000042903    0.000046289   -0.000032293
     52        1           0.000007469    0.000008225    0.000028359
     53        1           0.000085572   -0.000024864    0.000033142
     54        1           0.000052902    0.000027036   -0.000014253
     55        1          -0.000014133   -0.000004070   -0.000017504
     56        1           0.000001808    0.000021961   -0.000019731
     57        1           0.000075921    0.000027579    0.000061905
     58        1           0.000009518   -0.000035406    0.000006249
     59        1           0.000038331   -0.000022446    0.000058998
     60        8          -0.000530536   -0.000350991   -0.000282127
     61        1           0.000355656    0.000409892    0.000301334
     62        1           0.000205357    0.000424355    0.000070319
     63        6           0.000158454    0.000256017    0.000106983
     64        8          -0.000351134    0.000259841   -0.000337619
     65        7           0.000084583   -0.000172732   -0.000063064
     66        6          -0.000222816    0.000082052    0.000086576
     67        6           0.000299479   -0.000026146    0.000057754
     68        8          -0.000197968   -0.000144447   -0.000192990
     69        7           0.000042725   -0.000139267    0.000089745
     70        1           0.000054226    0.000009871    0.000005080
     71        1           0.000000672    0.000038665    0.000010829
     72        1           0.000001639   -0.000038168    0.000005395
     73        1           0.000009315    0.000027170    0.000012719
     74        6          -0.000251058   -0.000122614   -0.000001199
     75        1           0.000093993    0.000076771    0.000010084
     76        1           0.000002436    0.000036088   -0.000055734
     77        1           0.000037317    0.000181279   -0.000080462
     78        6          -0.000199523   -0.000075908    0.000025624
     79        1           0.000077711    0.000017842   -0.000008736
     80        1          -0.000017592    0.000022758   -0.000022828
     81        1           0.000009329   -0.000031254   -0.000008915
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000937970 RMS     0.000153987

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000417947 RMS     0.000075582
 Search for a local minimum.
 Step number  33 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33
 DE= -2.88D-05 DEPred=-2.30D-05 R= 1.25D+00
 TightC=F SS=  1.41D+00  RLast= 6.99D-02 DXNew= 5.0454D+00 2.0963D-01
 Trust test= 1.25D+00 RLast= 6.99D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00084   0.00147   0.00193   0.00230   0.00230
     Eigenvalues ---    0.00232   0.00240   0.00332   0.00386   0.00507
     Eigenvalues ---    0.00534   0.00590   0.00645   0.00685   0.00727
     Eigenvalues ---    0.00786   0.00823   0.00868   0.00874   0.00978
     Eigenvalues ---    0.01187   0.01226   0.01325   0.01360   0.01454
     Eigenvalues ---    0.01523   0.01597   0.01708   0.01752   0.01769
     Eigenvalues ---    0.01787   0.01846   0.01894   0.01921   0.01935
     Eigenvalues ---    0.02005   0.02066   0.02151   0.02237   0.02256
     Eigenvalues ---    0.02292   0.02401   0.02561   0.02651   0.02782
     Eigenvalues ---    0.03156   0.03206   0.03660   0.03915   0.03941
     Eigenvalues ---    0.04129   0.04133   0.04295   0.04393   0.04524
     Eigenvalues ---    0.04690   0.04892   0.04985   0.05252   0.05328
     Eigenvalues ---    0.05370   0.05382   0.05391   0.05425   0.05448
     Eigenvalues ---    0.05510   0.05511   0.05523   0.05533   0.05581
     Eigenvalues ---    0.05912   0.06100   0.06765   0.06919   0.06974
     Eigenvalues ---    0.07396   0.07475   0.07675   0.07804   0.08303
     Eigenvalues ---    0.08468   0.08858   0.09244   0.09334   0.09470
     Eigenvalues ---    0.09696   0.10051   0.10448   0.10680   0.11001
     Eigenvalues ---    0.11980   0.12271   0.12531   0.12893   0.12963
     Eigenvalues ---    0.13020   0.13431   0.14402   0.14567   0.15107
     Eigenvalues ---    0.15433   0.15775   0.15852   0.15911   0.15978
     Eigenvalues ---    0.15982   0.15989   0.15994   0.15995   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16002   0.16005
     Eigenvalues ---    0.16008   0.16010   0.16011   0.16020   0.16028
     Eigenvalues ---    0.16040   0.16052   0.16077   0.16082   0.16120
     Eigenvalues ---    0.16188   0.16273   0.16348   0.16360   0.16432
     Eigenvalues ---    0.16613   0.18474   0.20398   0.20748   0.21237
     Eigenvalues ---    0.21454   0.22265   0.22342   0.22431   0.22784
     Eigenvalues ---    0.22980   0.23070   0.23164   0.23583   0.23863
     Eigenvalues ---    0.24064   0.24286   0.24427   0.24643   0.25092
     Eigenvalues ---    0.25305   0.26929   0.27342   0.27694   0.28163
     Eigenvalues ---    0.28227   0.28315   0.28885   0.29474   0.30503
     Eigenvalues ---    0.30872   0.31282   0.31556   0.31785   0.31931
     Eigenvalues ---    0.33537   0.33617   0.33630   0.33662   0.33669
     Eigenvalues ---    0.33770   0.33806   0.33859   0.33909   0.33917
     Eigenvalues ---    0.33934   0.33937   0.33984   0.33996   0.34007
     Eigenvalues ---    0.34031   0.34059   0.34088   0.34092   0.34132
     Eigenvalues ---    0.34166   0.34180   0.34192   0.34199   0.34261
     Eigenvalues ---    0.34302   0.34341   0.34527   0.34937   0.35354
     Eigenvalues ---    0.35625   0.35767   0.36150   0.36237   0.36341
     Eigenvalues ---    0.36514   0.36535   0.37838   0.39086   0.39514
     Eigenvalues ---    0.39887   0.42343   0.42654   0.42777   0.43822
     Eigenvalues ---    0.45309   0.45440   0.45477   0.45558   0.45584
     Eigenvalues ---    0.45610   0.45646   0.46200   0.48837   0.49210
     Eigenvalues ---    0.49529   0.49842   0.50182   0.52471   0.54524
     Eigenvalues ---    0.54879   0.55081   0.56606   0.66687   0.73217
     Eigenvalues ---    0.767081000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    33   32   31   30   29
 RFO step:  Lambda=-7.43215810D-06.
 DidBck=F Rises=F RFO-DIIS coefs:    1.51962   -0.22678   -0.51115    0.10668    0.11163
 Iteration  1 RMS(Cart)=  0.01506995 RMS(Int)=  0.00010954
 Iteration  2 RMS(Cart)=  0.00016888 RMS(Int)=  0.00003972
 New curvilinear step failed, DQL= 2.14D-07 SP=-8.74D-02.
 ITry= 1 IFail=1 DXMaxC= 1.00D-01 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01428889 RMS(Int)=  0.00010003
 Iteration  2 RMS(Cart)=  0.00015169 RMS(Int)=  0.00003962
 New curvilinear step failed, DQL= 1.73D-07 SP=-8.03D-02.
 ITry= 2 IFail=1 DXMaxC= 9.49D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01351922 RMS(Int)=  0.00009120
 Iteration  2 RMS(Cart)=  0.00013555 RMS(Int)=  0.00003954
 New curvilinear step failed, DQL= 1.39D-07 SP=-8.84D-02.
 ITry= 3 IFail=1 DXMaxC= 8.96D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01276301 RMS(Int)=  0.00008306
 Iteration  2 RMS(Cart)=  0.00012034 RMS(Int)=  0.00003949
 New curvilinear step failed, DQL= 1.10D-07 SP=-9.47D-02.
 ITry= 4 IFail=1 DXMaxC= 8.43D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01202281 RMS(Int)=  0.00007562
 Iteration  2 RMS(Cart)=  0.00010547 RMS(Int)=  0.00003944
 New curvilinear step failed, DQL= 8.59D-08 SP=-1.04D-01.
 ITry= 5 IFail=1 DXMaxC= 7.91D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01130170 RMS(Int)=  0.00006892
 Iteration  2 RMS(Cart)=  0.00009239 RMS(Int)=  0.00003940
 New curvilinear step failed, DQL= 6.87D-08 SP=-1.52D-01.
 ITry= 6 IFail=1 DXMaxC= 7.38D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.01060365 RMS(Int)=  0.00006295
 Iteration  2 RMS(Cart)=  0.00008007 RMS(Int)=  0.00003937
 New curvilinear step failed, DQL= 5.16D-08 SP=-1.58D-01.
 ITry= 7 IFail=1 DXMaxC= 6.86D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Iteration  1 RMS(Cart)=  0.00993351 RMS(Int)=  0.00005775
 Iteration  2 RMS(Cart)=  0.00006853 RMS(Int)=  0.00003934
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00003934
 ITry= 8 IFail=0 DXMaxC= 6.33D-02 DCOld= 1.00D+10 DXMaxT= 3.00D+00 DXLimC= 3.00D+00 Rises=F
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00001   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00006   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00001   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00021   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00006   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969  -0.00002   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00003   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00007   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00010   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00016   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00000   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00005   0.00000   0.00000   0.00000   4.09468
    R1        2.93067  -0.00013  -0.00061  -0.00022  -0.00063   2.93004
    R2        2.07196  -0.00011   0.00021  -0.00024   0.00010   2.07206
    R3        2.07081  -0.00015  -0.00068   0.00003  -0.00066   2.07015
    R4        2.07724  -0.00020  -0.00042  -0.00005  -0.00043   2.07681
    R5        2.84193  -0.00010   0.00004  -0.00031  -0.00001   2.84192
    R6        2.07049  -0.00025  -0.00048  -0.00017  -0.00053   2.06996
    R7        2.08059  -0.00027  -0.00055  -0.00017  -0.00060   2.07999
    R8        2.62102  -0.00015  -0.00014  -0.00023  -0.00020   2.62082
    R9        2.65393   0.00011   0.00036   0.00004   0.00038   2.65431
   R10        2.65848   0.00006   0.00059  -0.00023   0.00053   2.65902
   R11        2.04212   0.00007   0.00005   0.00009   0.00007   2.04219
   R12        2.59543  -0.00001  -0.00038   0.00005  -0.00035   2.59508
   R13        1.91172  -0.00001  -0.00001   0.00000   0.00000   1.91171
   R14        2.53371   0.00007   0.00015   0.00007   0.00017   2.53389
   R15        2.03601   0.00002   0.00013  -0.00001   0.00013   2.03614
   R16        4.15649  -0.00006   0.00267  -0.00282   0.00186   4.15834
   R17        2.91881   0.00001   0.00037   0.00007   0.00037   2.91918
   R18        2.07391  -0.00003   0.00015  -0.00008   0.00011   2.07401
   R19        2.07763  -0.00006  -0.00009  -0.00003  -0.00008   2.07756
   R20        2.07545   0.00008  -0.00051   0.00011  -0.00047   2.07498
   R21        2.92741  -0.00004  -0.00041  -0.00010  -0.00045   2.92696
   R22        2.07734   0.00001  -0.00008   0.00006  -0.00006   2.07728
   R23        2.07306  -0.00001   0.00011  -0.00007   0.00008   2.07314
   R24        2.88438   0.00015  -0.00035   0.00050  -0.00022   2.88416
   R25        2.07113   0.00001  -0.00015   0.00010  -0.00012   2.07101
   R26        2.07716  -0.00001   0.00016   0.00001   0.00016   2.07732
   R27        2.40820  -0.00017  -0.00050   0.00024  -0.00045   2.40775
   R28        2.52703   0.00017  -0.00011   0.00004  -0.00007   2.52696
   R29        4.20686  -0.00016  -0.00625  -0.00954  -0.00913   4.19773
   R30        2.56228  -0.00007  -0.00064  -0.00119  -0.00099   2.56129
   R31        2.91562   0.00004  -0.00004  -0.00013  -0.00006   2.91556
   R32        2.07182   0.00002  -0.00014   0.00002  -0.00014   2.07168
   R33        2.07039   0.00000   0.00009  -0.00001   0.00010   2.07049
   R34        2.07380  -0.00007   0.00006  -0.00005   0.00003   2.07383
   R35        2.84628  -0.00001   0.00013  -0.00017   0.00007   2.84635
   R36        2.07938   0.00002  -0.00013   0.00007  -0.00011   2.07927
   R37        2.08026  -0.00002  -0.00010   0.00004  -0.00009   2.08017
   R38        2.61991   0.00005  -0.00005   0.00008  -0.00006   2.61985
   R39        2.65692  -0.00015   0.00037  -0.00028   0.00030   2.65722
   R40        2.65677  -0.00010   0.00014  -0.00012   0.00008   2.65684
   R41        2.03493   0.00005   0.00002   0.00009   0.00004   2.03497
   R42        2.59537   0.00002  -0.00017   0.00005  -0.00013   2.59523
   R43        1.91278   0.00000  -0.00003   0.00002  -0.00002   1.91276
   R44        2.53198   0.00001  -0.00013   0.00005  -0.00011   2.53186
   R45        2.03593  -0.00002   0.00002  -0.00001   0.00002   2.03595
   R46        4.07821  -0.00019   0.00000  -0.00068  -0.00023   4.07798
   R47        2.91837  -0.00002   0.00041   0.00000   0.00041   2.91878
   R48        2.07264  -0.00003   0.00002  -0.00006  -0.00001   2.07263
   R49        2.07209   0.00009  -0.00033   0.00018  -0.00025   2.07184
   R50        2.07068  -0.00005  -0.00001  -0.00006  -0.00004   2.07065
   R51        2.84455  -0.00001  -0.00007  -0.00002  -0.00006   2.84449
   R52        2.07862  -0.00002  -0.00006  -0.00004  -0.00007   2.07856
   R53        2.07870   0.00000   0.00000   0.00002   0.00001   2.07871
   R54        2.62243  -0.00004  -0.00002  -0.00004  -0.00004   2.62239
   R55        2.65327   0.00003  -0.00015  -0.00003  -0.00015   2.65312
   R56        2.64861  -0.00005  -0.00004  -0.00021  -0.00010   2.64851
   R57        2.03599  -0.00001  -0.00004  -0.00009  -0.00006   2.03593
   R58        2.60161   0.00002  -0.00014   0.00009  -0.00011   2.60150
   R59        1.91293  -0.00001   0.00002  -0.00001   0.00001   1.91295
   R60        2.52672  -0.00002   0.00013   0.00011   0.00016   2.52687
   R61        2.03654  -0.00002   0.00003   0.00001   0.00003   2.03658
   R62        4.04644  -0.00002  -0.00298  -0.00013  -0.00301   4.04343
   R63        3.83883   0.00005  -0.00368  -0.00117  -0.00403   3.83480
   R64        4.44361   0.00042   0.00462   0.01065   0.00783   4.45144
   R65        4.33158  -0.00002   0.00179   0.00191   0.00239   4.33397
   R66        1.85700  -0.00017   0.00033  -0.00001   0.00032   1.85732
   R67        2.08713   0.00035   0.00129   0.00045   0.00142   2.08855
   R68        2.39691  -0.00005  -0.00007  -0.00006  -0.00009   2.39681
   R69        2.58325  -0.00016  -0.00027  -0.00011  -0.00032   2.58293
   R70        2.86763   0.00015   0.00043   0.00020   0.00049   2.86812
   R71        2.76946  -0.00001   0.00014  -0.00019   0.00007   2.76953
   R72        1.91422  -0.00002  -0.00006   0.00002  -0.00005   1.91417
   R73        2.90204  -0.00003  -0.00029   0.00007  -0.00029   2.90174
   R74        2.07394   0.00003   0.00009   0.00001   0.00009   2.07403
   R75        2.06938   0.00003  -0.00011   0.00007  -0.00009   2.06929
   R76        2.41283   0.00004  -0.00031  -0.00007  -0.00033   2.41250
   R77        2.55001   0.00001   0.00036  -0.00006   0.00034   2.55035
   R78        1.91781   0.00001   0.00001   0.00001   0.00001   1.91782
   R79        2.78984  -0.00016   0.00012  -0.00009   0.00009   2.78993
   R80        2.06859   0.00006  -0.00023   0.00017  -0.00018   2.06841
   R81        2.06361  -0.00006   0.00009  -0.00013   0.00005   2.06366
   R82        2.07175   0.00002  -0.00020   0.00010  -0.00017   2.07157
   R83        2.07205   0.00000  -0.00017   0.00009  -0.00015   2.07190
   R84        2.06863  -0.00003   0.00013  -0.00012   0.00009   2.06872
   R85        2.06900  -0.00003  -0.00001  -0.00001  -0.00002   2.06898
    A1        1.92369   0.00004   0.00019  -0.00006   0.00018   1.92387
    A2        1.93576  -0.00005  -0.00012   0.00011  -0.00010   1.93566
    A3        1.95276   0.00001  -0.00024   0.00010  -0.00023   1.95253
    A4        1.88833   0.00000   0.00019  -0.00006   0.00019   1.88852
    A5        1.87376  -0.00003   0.00018  -0.00026   0.00012   1.87388
    A6        1.88719   0.00002  -0.00018   0.00015  -0.00014   1.88705
    A7        1.98726  -0.00003   0.00040  -0.00048   0.00033   1.98759
    A8        1.90978  -0.00001   0.00007  -0.00018  -0.00001   1.90977
    A9        1.90643   0.00000  -0.00042   0.00048  -0.00030   1.90613
   A10        1.88048  -0.00001   0.00028  -0.00043   0.00013   1.88062
   A11        1.91895   0.00006  -0.00009   0.00041   0.00001   1.91896
   A12        1.85627   0.00001  -0.00027   0.00023  -0.00019   1.85608
   A13        2.30508  -0.00023   0.00044  -0.00067   0.00023   2.30531
   A14        2.14629   0.00019  -0.00029   0.00053  -0.00011   2.14618
   A15        1.83181   0.00004  -0.00015   0.00014  -0.00012   1.83169
   A16        1.91623  -0.00003   0.00015  -0.00007   0.00015   1.91638
   A17        2.24244   0.00001   0.00045   0.00012   0.00048   2.24292
   A18        2.12434   0.00001  -0.00060  -0.00003  -0.00062   2.12372
   A19        1.89573   0.00001   0.00009  -0.00009   0.00007   1.89580
   A20        2.19062   0.00006  -0.00002   0.00021   0.00003   2.19065
   A21        2.19676  -0.00008  -0.00008  -0.00013  -0.00013   2.19664
   A22        1.92315  -0.00008   0.00024  -0.00014   0.00020   1.92335
   A23        2.16199   0.00003  -0.00027   0.00010  -0.00024   2.16174
   A24        2.19803   0.00004   0.00002   0.00004   0.00003   2.19805
   A25        1.85786   0.00006  -0.00034   0.00016  -0.00031   1.85755
   A26        2.20829   0.00024   0.00194   0.00288   0.00278   2.21108
   A27        2.21522  -0.00029  -0.00135  -0.00267  -0.00212   2.21310
   A28        1.93546   0.00002  -0.00118   0.00011  -0.00113   1.93433
   A29        1.93456  -0.00003   0.00007  -0.00009   0.00004   1.93460
   A30        1.93453   0.00000   0.00071  -0.00032   0.00062   1.93515
   A31        1.88794   0.00004  -0.00051   0.00055  -0.00035   1.88759
   A32        1.88600  -0.00001   0.00040   0.00001   0.00041   1.88641
   A33        1.88349  -0.00002   0.00054  -0.00025   0.00044   1.88393
   A34        1.97102   0.00002  -0.00041   0.00034  -0.00032   1.97071
   A35        1.91272  -0.00001   0.00088  -0.00032   0.00080   1.91353
   A36        1.91190  -0.00001  -0.00062  -0.00006  -0.00065   1.91125
   A37        1.90062   0.00000  -0.00023   0.00020  -0.00017   1.90045
   A38        1.89012  -0.00001   0.00079  -0.00028   0.00071   1.89082
   A39        1.87491   0.00001  -0.00041   0.00010  -0.00038   1.87453
   A40        1.94052  -0.00005   0.00112   0.00061   0.00125   1.94177
   A41        1.93998   0.00002   0.00005   0.00017   0.00013   1.94010
   A42        1.90291   0.00005   0.00011   0.00011   0.00014   1.90305
   A43        1.90431   0.00002  -0.00114   0.00014  -0.00109   1.90322
   A44        1.88873   0.00001   0.00009  -0.00043  -0.00001   1.88872
   A45        1.88589  -0.00004  -0.00026  -0.00067  -0.00047   1.88543
   A46        2.10670  -0.00008   0.00120  -0.00049   0.00101   2.10771
   A47        2.03976   0.00001  -0.00093   0.00038  -0.00080   2.03897
   A48        2.13604   0.00008  -0.00025   0.00015  -0.00019   2.13585
   A49        1.81082  -0.00007   0.00041  -0.00020   0.00034   1.81116
   A50        1.84348   0.00004   0.00071   0.00037   0.00082   1.84430
   A51        1.93868  -0.00005   0.00007  -0.00019   0.00001   1.93869
   A52        1.92291  -0.00005   0.00034  -0.00028   0.00024   1.92315
   A53        1.94140   0.00008   0.00001   0.00028   0.00010   1.94150
   A54        1.88459   0.00005  -0.00030   0.00045  -0.00017   1.88442
   A55        1.89209  -0.00002   0.00001  -0.00005   0.00001   1.89210
   A56        1.88225  -0.00001  -0.00015  -0.00020  -0.00021   1.88204
   A57        1.97559   0.00006  -0.00040  -0.00007  -0.00047   1.97513
   A58        1.90138   0.00001  -0.00011   0.00001  -0.00008   1.90129
   A59        1.90768  -0.00003   0.00038   0.00000   0.00039   1.90806
   A60        1.90505  -0.00005   0.00063  -0.00030   0.00055   1.90560
   A61        1.91221   0.00002  -0.00040   0.00045  -0.00025   1.91196
   A62        1.85823  -0.00001  -0.00009  -0.00009  -0.00012   1.85811
   A63        2.32056  -0.00003  -0.00050  -0.00004  -0.00057   2.32000
   A64        2.13634   0.00004   0.00061   0.00000   0.00067   2.13701
   A65        1.82612  -0.00001  -0.00007   0.00004  -0.00006   1.82606
   A66        1.91851  -0.00001  -0.00001  -0.00006  -0.00001   1.91850
   A67        2.24671   0.00000   0.00005  -0.00012   0.00000   2.24671
   A68        2.11739   0.00001  -0.00004   0.00018   0.00001   2.11739
   A69        1.90138   0.00006  -0.00004   0.00007  -0.00002   1.90136
   A70        2.18855  -0.00001   0.00002   0.00005   0.00004   2.18859
   A71        2.19288  -0.00005  -0.00004  -0.00014  -0.00008   2.19280
   A72        1.91758  -0.00007   0.00009  -0.00010   0.00004   1.91763
   A73        2.18537   0.00004   0.00006   0.00016   0.00011   2.18549
   A74        2.17958   0.00003  -0.00020  -0.00008  -0.00021   2.17936
   A75        1.86115   0.00004   0.00002   0.00005   0.00005   1.86120
   A76        2.19023   0.00014   0.00097   0.00091   0.00117   2.19141
   A77        2.20159  -0.00016  -0.00051  -0.00017  -0.00047   2.20112
   A78        1.94207  -0.00001  -0.00020  -0.00006  -0.00021   1.94186
   A79        1.94028   0.00004  -0.00009   0.00015  -0.00006   1.94022
   A80        1.92496   0.00004  -0.00040   0.00011  -0.00036   1.92460
   A81        1.89046  -0.00002   0.00024  -0.00010   0.00020   1.89066
   A82        1.87709  -0.00001   0.00001   0.00004   0.00004   1.87713
   A83        1.88685  -0.00004   0.00048  -0.00016   0.00042   1.88728
   A84        1.95917   0.00000   0.00004  -0.00018   0.00001   1.95919
   A85        1.90757   0.00001   0.00009   0.00003   0.00011   1.90768
   A86        1.90619   0.00001  -0.00024   0.00010  -0.00024   1.90595
   A87        1.91194   0.00001   0.00028   0.00010   0.00030   1.91224
   A88        1.92008  -0.00003  -0.00027  -0.00004  -0.00029   1.91978
   A89        1.85600   0.00000   0.00011   0.00000   0.00011   1.85611
   A90        2.30171   0.00009  -0.00040  -0.00004  -0.00041   2.30131
   A91        2.15492  -0.00006   0.00032   0.00017   0.00036   2.15528
   A92        1.82651  -0.00003   0.00009  -0.00013   0.00005   1.82657
   A93        1.91774   0.00003  -0.00016   0.00025  -0.00008   1.91767
   A94        2.24956   0.00002   0.00012  -0.00001   0.00011   2.24967
   A95        2.11588  -0.00004   0.00004  -0.00024  -0.00004   2.11584
   A96        1.89960   0.00001   0.00009   0.00002   0.00010   1.89970
   A97        2.19078  -0.00004   0.00022  -0.00016   0.00017   2.19095
   A98        2.19270   0.00003  -0.00027   0.00013  -0.00023   2.19246
   A99        1.91564  -0.00003  -0.00015   0.00000  -0.00014   1.91550
   A100       2.18870   0.00000   0.00027  -0.00001   0.00026   2.18897
   A101       2.17856   0.00003  -0.00012   0.00003  -0.00011   2.17845
   A102       1.86525   0.00002   0.00012  -0.00014   0.00008   1.86533
   A103       2.20909   0.00005   0.00024   0.00104   0.00056   2.20965
   A104       2.19405  -0.00008  -0.00039  -0.00124  -0.00076   2.19329
   A105       1.69994  -0.00002   0.00176   0.00213   0.00242   1.70235
   A106       1.55579   0.00006  -0.00080   0.00089  -0.00062   1.55517
   A107       1.68080  -0.00006   0.00138   0.00191   0.00188   1.68268
   A108       3.00803   0.00007  -0.00038  -0.00117  -0.00043   3.00760
   A109       1.66559   0.00005  -0.00007   0.00042  -0.00002   1.66557
   A110       1.72858  -0.00008  -0.00252  -0.00313  -0.00330   1.72527
   A111       1.60375   0.00008   0.00210   0.00210   0.00290   1.60665
   A112       1.48726   0.00000  -0.00097  -0.00163  -0.00139   1.48587
   A113       2.90494  -0.00003  -0.00079  -0.00151  -0.00124   2.90370
   A114       2.91613   0.00000  -0.00077  -0.00082  -0.00059   2.91553
   A115       1.45451   0.00001   0.00102  -0.00196   0.00046   1.45497
   A116       1.49212   0.00007   0.00027   0.00014   0.00019   1.49231
   A117       1.58446   0.00000  -0.00185  -0.00099  -0.00201   1.58245
   A118       1.43715  -0.00007  -0.00027  -0.00003  -0.00036   1.43679
   A119       1.44196  -0.00004  -0.00103  -0.00115  -0.00139   1.44056
   A120       2.10694  -0.00003  -0.00004  -0.00100  -0.00028   2.10666
   A121       2.17984   0.00011  -0.00133  -0.00063  -0.00145   2.17839
   A122       1.78423  -0.00012  -0.00089  -0.00127  -0.00124   1.78299
   A123       2.03781   0.00032   0.00250   0.00373   0.00363   2.04144
   A124       2.93247  -0.00026  -0.00276  -0.00312  -0.00374   2.92872
   A125       2.13082   0.00011   0.00121  -0.00019   0.00118   2.13200
   A126       2.11423  -0.00011  -0.00048   0.00017  -0.00044   2.11378
   A127       2.03802   0.00000  -0.00073   0.00000  -0.00074   2.03727
   A128       2.30261  -0.00010  -0.00184  -0.00234  -0.00251   2.30011
   A129       2.14592   0.00016   0.00129  -0.00056   0.00114   2.14707
   A130       2.07015  -0.00011  -0.00072   0.00020  -0.00066   2.06949
   A131       2.06673  -0.00005  -0.00056   0.00040  -0.00045   2.06628
   A132       1.98037   0.00009  -0.00108  -0.00001  -0.00108   1.97929
   A133       1.90335   0.00002  -0.00035   0.00013  -0.00029   1.90306
   A134       1.90182  -0.00003  -0.00004   0.00012  -0.00002   1.90180
   A135       1.82055  -0.00008   0.00046  -0.00034   0.00035   1.82089
   A136       1.94936  -0.00002   0.00074   0.00009   0.00077   1.95013
   A137       1.90564   0.00001   0.00030  -0.00001   0.00029   1.90593
   A138       2.09883  -0.00013  -0.00102   0.00027  -0.00092   2.09791
   A139       2.03246  -0.00021   0.00104  -0.00039   0.00091   2.03338
   A140       2.14971   0.00034   0.00001   0.00014   0.00005   2.14976
   A141       2.07374   0.00032   0.00070   0.00066   0.00090   2.07464
   A142       2.06392  -0.00013   0.00011  -0.00030   0.00000   2.06392
   A143       2.15864   0.00033  -0.00173   0.00076  -0.00152   2.15712
   A144       2.04021  -0.00019   0.00054  -0.00015   0.00048   2.04069
   A145       1.91301   0.00005   0.00001   0.00023   0.00008   1.91309
   A146       1.89537   0.00001  -0.00037   0.00025  -0.00030   1.89507
   A147       1.90487  -0.00010   0.00062  -0.00017   0.00057   1.90544
   A148       1.91061   0.00003   0.00024  -0.00001   0.00024   1.91085
   A149       1.93134  -0.00010  -0.00001  -0.00088  -0.00027   1.93107
   A150       1.90824   0.00011  -0.00050   0.00061  -0.00032   1.90792
   A151       1.90581  -0.00013   0.00023  -0.00038   0.00011   1.90592
   A152       1.90349   0.00005   0.00011  -0.00004   0.00010   1.90359
   A153       1.97643   0.00004   0.00012   0.00011   0.00015   1.97658
   A154       1.87627   0.00003  -0.00012   0.00018  -0.00006   1.87621
   A155       1.89315   0.00003  -0.00010   0.00007  -0.00008   1.89307
   A156       1.90612  -0.00002  -0.00025   0.00007  -0.00023   1.90588
    D1        3.11176  -0.00004   0.00038  -0.00087   0.00012   3.11189
    D2        1.00657   0.00001  -0.00029   0.00014  -0.00026   1.00631
    D3       -1.01899   0.00001   0.00023  -0.00031   0.00015  -1.01884
    D4        1.02093  -0.00003   0.00010  -0.00083  -0.00016   1.02077
    D5       -1.08426   0.00001  -0.00058   0.00017  -0.00055  -1.08481
    D6       -3.10981   0.00001  -0.00005  -0.00027  -0.00014  -3.10996
    D7       -1.08787  -0.00003   0.00058  -0.00117   0.00025  -1.08762
    D8        3.09012   0.00002  -0.00010  -0.00016  -0.00014   3.08999
    D9        1.06456   0.00002   0.00043  -0.00061   0.00027   1.06484
   D10       -2.12362   0.00006   0.00456  -0.00032   0.00446  -2.11916
   D11        1.02340   0.00000   0.00443  -0.00156   0.00397   1.02737
   D12       -0.00209   0.00001   0.00510  -0.00117   0.00475   0.00267
   D13       -3.13826  -0.00005   0.00498  -0.00241   0.00426  -3.13399
   D14        2.01395   0.00004   0.00489  -0.00092   0.00461   2.01856
   D15       -1.12222  -0.00002   0.00477  -0.00216   0.00412  -1.11810
   D16       -3.13705   0.00000  -0.00076   0.00033  -0.00065  -3.13770
   D17        0.02482  -0.00004  -0.00087  -0.00123  -0.00124   0.02358
   D18       -0.00017   0.00005  -0.00065   0.00141  -0.00022  -0.00039
   D19       -3.12148   0.00001  -0.00077  -0.00015  -0.00081  -3.12230
   D20        3.13668   0.00003   0.00055   0.00058   0.00071   3.13740
   D21       -0.01713  -0.00001  -0.00095  -0.00031  -0.00105  -0.01818
   D22       -0.00074  -0.00001   0.00045  -0.00037   0.00034  -0.00041
   D23        3.12863  -0.00005  -0.00105  -0.00126  -0.00143   3.12720
   D24        0.00103  -0.00007   0.00061  -0.00195   0.00002   0.00106
   D25        3.08139   0.00002   0.00492   0.00425   0.00620   3.08759
   D26        3.12396  -0.00004   0.00074  -0.00051   0.00058   3.12455
   D27       -0.07887   0.00006   0.00505   0.00569   0.00676  -0.07211
   D28        0.00144  -0.00003  -0.00008  -0.00085  -0.00034   0.00111
   D29       -3.13323  -0.00004   0.00179  -0.00091   0.00152  -3.13171
   D30       -3.12788   0.00000   0.00142   0.00003   0.00143  -3.12645
   D31        0.02063  -0.00001   0.00330  -0.00003   0.00329   0.02392
   D32       -0.00151   0.00006  -0.00032   0.00170   0.00019  -0.00131
   D33       -3.08154  -0.00005  -0.00479  -0.00478  -0.00622  -3.08776
   D34        3.13300   0.00008  -0.00224   0.00176  -0.00172   3.13128
   D35        0.05296  -0.00004  -0.00672  -0.00472  -0.00813   0.04483
   D36        1.98421  -0.00006  -0.00428  -0.00328  -0.00524   1.97897
   D37       -2.57102  -0.00014  -0.00693  -0.00631  -0.00864  -2.57966
   D38        0.36562  -0.00013  -0.00677  -0.00592  -0.00872   0.35690
   D39       -2.38688  -0.00004   0.00245  -0.00269   0.00163  -2.38524
   D40       -1.08069  -0.00006  -0.00667  -0.00609  -0.00851  -1.08920
   D41       -1.23087   0.00007   0.00096   0.00431   0.00228  -1.22859
   D42        0.49709  -0.00001  -0.00169   0.00128  -0.00112   0.49597
   D43       -2.84946   0.00000  -0.00153   0.00167  -0.00121  -2.85066
   D44        0.68123   0.00009   0.00769   0.00490   0.00915   0.69038
   D45        1.98741   0.00007  -0.00143   0.00150  -0.00099   1.98642
   D46        1.06137   0.00001   0.00080   0.00023   0.00086   1.06223
   D47       -3.09966   0.00002   0.00086   0.00049   0.00101  -3.09866
   D48       -1.04679   0.00002   0.00051   0.00040   0.00063  -1.04616
   D49       -1.03592  -0.00004   0.00218  -0.00049   0.00202  -1.03390
   D50        1.08624  -0.00003   0.00224  -0.00022   0.00217   1.08841
   D51        3.13911  -0.00003   0.00189  -0.00032   0.00179   3.14090
   D52       -3.12699   0.00000   0.00100   0.00009   0.00103  -3.12596
   D53       -1.00484   0.00001   0.00106   0.00036   0.00118  -1.00366
   D54        1.04803   0.00001   0.00070   0.00026   0.00080   1.04884
   D55       -1.08572   0.00001   0.00100   0.00036   0.00113  -1.08459
   D56        1.03943   0.00001   0.00036   0.00108   0.00070   1.04013
   D57        3.11653   0.00000   0.00013   0.00044   0.00029   3.11682
   D58        3.06849   0.00001   0.00032   0.00039   0.00044   3.06893
   D59       -1.08954   0.00001  -0.00032   0.00111   0.00001  -1.08953
   D60        0.98756   0.00000  -0.00055   0.00047  -0.00040   0.98716
   D61        1.03479   0.00000   0.00050   0.00031   0.00060   1.03539
   D62       -3.12324   0.00000  -0.00014   0.00103   0.00017  -3.12307
   D63       -1.04614  -0.00001  -0.00037   0.00039  -0.00024  -1.04638
   D64       -0.89402  -0.00004   0.00491   0.00677   0.00697  -0.88705
   D65        2.20874  -0.00001   0.00542   0.00793   0.00782   2.21655
   D66       -3.03982  -0.00005   0.00489   0.00605   0.00672  -3.03309
   D67        0.06294  -0.00001   0.00540   0.00720   0.00757   0.07051
   D68        1.19536  -0.00001   0.00577   0.00701   0.00789   1.20325
   D69       -1.98506   0.00002   0.00629   0.00816   0.00874  -1.97633
   D70        2.96520   0.00003   0.00065   0.00222   0.00129   2.96649
   D71       -0.13537  -0.00001   0.00012   0.00100   0.00041  -0.13496
   D72       -2.97917  -0.00001  -0.00191  -0.00126  -0.00230  -2.98147
   D73        0.12288   0.00001  -0.00136  -0.00010  -0.00141   0.12147
   D74        0.02778  -0.00010   0.00113  -0.00402  -0.00005   0.02773
   D75        0.26185  -0.00007   0.00457  -0.00061   0.00439   0.26624
   D76       -1.04804   0.00002  -0.00088   0.00077  -0.00067  -1.04870
   D77        1.07474   0.00000  -0.00042   0.00035  -0.00033   1.07441
   D78        3.09865  -0.00003  -0.00038   0.00024  -0.00031   3.09834
   D79       -3.13557   0.00003  -0.00077   0.00051  -0.00062  -3.13619
   D80       -1.01279   0.00000  -0.00031   0.00009  -0.00029  -1.01307
   D81        1.01112  -0.00002  -0.00027  -0.00002  -0.00026   1.01086
   D82        1.06126   0.00002  -0.00081   0.00077  -0.00057   1.06069
   D83       -3.09914   0.00000  -0.00035   0.00035  -0.00024  -3.09938
   D84       -1.07523  -0.00003  -0.00031   0.00024  -0.00022  -1.07545
   D85       -0.04596   0.00000  -0.00644  -0.01090  -0.00970  -0.05566
   D86        3.07333  -0.00004  -0.00333  -0.01090  -0.00659   3.06674
   D87       -2.16668  -0.00001  -0.00648  -0.01065  -0.00967  -2.17635
   D88        0.95261  -0.00005  -0.00337  -0.01065  -0.00656   0.94605
   D89        2.08801   0.00002  -0.00651  -0.01062  -0.00970   2.07831
   D90       -1.07588  -0.00002  -0.00340  -0.01063  -0.00659  -1.08247
   D91        3.11784  -0.00004   0.00286   0.00038   0.00297   3.12081
   D92        0.01292  -0.00002   0.00295   0.00046   0.00308   0.01600
   D93       -0.00429  -0.00001   0.00013   0.00038   0.00025  -0.00404
   D94       -3.10921   0.00001   0.00022   0.00046   0.00036  -3.10885
   D95       -3.11797   0.00003  -0.00227  -0.00060  -0.00246  -3.12043
   D96       -0.00445   0.00001  -0.00442  -0.00106  -0.00475  -0.00920
   D97        0.00675   0.00000   0.00007  -0.00060  -0.00011   0.00664
   D98        3.12027  -0.00002  -0.00208  -0.00106  -0.00240   3.11787
   D99        0.00025   0.00001  -0.00029  -0.00002  -0.00030  -0.00005
   D100      -2.89202  -0.00002  -0.00226  -0.00321  -0.00324  -2.89526
   D101       3.10836   0.00000  -0.00037  -0.00010  -0.00040   3.10796
   D102       0.21608  -0.00003  -0.00234  -0.00328  -0.00334   0.21274
   D103      -0.00696   0.00001  -0.00026   0.00062  -0.00007  -0.00703
   D104       3.09738  -0.00001  -0.00173  -0.00007  -0.00175   3.09563
   D105      -3.12039   0.00002   0.00190   0.00108   0.00222  -3.11817
   D106      -0.01605   0.00000   0.00043   0.00039   0.00054  -0.01551
   D107       0.00411  -0.00001   0.00034  -0.00037   0.00023   0.00433
   D108       2.89428   0.00007   0.00259   0.00304   0.00349   2.89778
   D109      -3.10038   0.00001   0.00179   0.00032   0.00189  -3.09849
   D110      -0.21021   0.00009   0.00405   0.00373   0.00516  -0.20505
   D111      -0.48843   0.00006  -0.00662   0.00048  -0.00650  -0.49492
   D112      -2.06456   0.00001  -0.00577  -0.00036  -0.00581  -2.07037
   D113       1.19767   0.00001  -0.00487   0.00280  -0.00408   1.19359
   D114       2.77942   0.00000  -0.00691   0.00158  -0.00639   2.77303
   D115       2.32182   0.00011   0.00522   0.01523   0.00978   2.33160
   D116       2.95027  -0.00001  -0.00910  -0.00339  -0.01014   2.94013
   D117       1.37414  -0.00006  -0.00825  -0.00423  -0.00945   1.36468
   D118      -1.64681  -0.00007  -0.00735  -0.00107  -0.00773  -1.65454
   D119      -0.06506  -0.00008  -0.00939  -0.00229  -0.01003  -0.07510
   D120      -0.52266   0.00003   0.00274   0.01136   0.00613  -0.51653
   D121      -1.05686   0.00002   0.00018  -0.00011   0.00017  -1.05669
   D122       3.10135   0.00000  -0.00027  -0.00014  -0.00031   3.10104
   D123       1.07749  -0.00001  -0.00031  -0.00022  -0.00037   1.07712
   D124       1.05192   0.00001   0.00028  -0.00018   0.00024   1.05215
   D125      -1.07306  -0.00001  -0.00016  -0.00021  -0.00023  -1.07330
   D126      -3.09692  -0.00001  -0.00021  -0.00028  -0.00029  -3.09721
   D127      -3.13853   0.00001   0.00056  -0.00020   0.00049  -3.13804
   D128       1.01968  -0.00001   0.00011  -0.00023   0.00002   1.01969
   D129      -1.00418  -0.00001   0.00007  -0.00031  -0.00004  -1.00422
   D130       0.36489   0.00000   0.00337   0.00040   0.00346   0.36835
   D131      -2.76515  -0.00003   0.00209   0.00067   0.00226  -2.76289
   D132       2.48737   0.00002   0.00371   0.00040   0.00383   2.49120
   D133      -0.64267  -0.00001   0.00243   0.00066   0.00262  -0.64005
   D134      -1.76155   0.00001   0.00384   0.00043   0.00397  -1.75759
   D135       1.39159  -0.00002   0.00257   0.00069   0.00276   1.39435
   D136      -3.12431  -0.00005  -0.00096  -0.00175  -0.00151  -3.12583
   D137       0.01746  -0.00006  -0.00255  -0.00134  -0.00295   0.01451
   D138       0.00732  -0.00002   0.00014  -0.00198  -0.00047   0.00685
   D139      -3.13409  -0.00003  -0.00144  -0.00157  -0.00191  -3.13600
   D140       3.12616   0.00001   0.00159   0.00001   0.00163   3.12779
   D141      -0.00036   0.00004  -0.00113   0.00081  -0.00088  -0.00123
   D142      -0.00654  -0.00002   0.00062   0.00022   0.00070  -0.00584
   D143      -3.13306   0.00001  -0.00211   0.00102  -0.00180  -3.13486
   D144      -0.00545   0.00005  -0.00087   0.00306   0.00007  -0.00539
   D145       2.95958   0.00001  -0.00105   0.00092  -0.00074   2.95884
   D146       3.13597   0.00006   0.00058   0.00269   0.00138   3.13735
   D147      -0.18218   0.00002   0.00039   0.00055   0.00057  -0.18161
   D148       0.00345   0.00005  -0.00120   0.00171  -0.00070   0.00275
   D149      -3.11351   0.00004  -0.00121   0.00047  -0.00109  -3.11460
   D150       3.12994   0.00002   0.00153   0.00091   0.00181   3.13176
   D151       0.01299   0.00001   0.00152  -0.00033   0.00142   0.01441
   D152       0.00117  -0.00006   0.00126  -0.00289   0.00039   0.00156
   D153      -2.96581  -0.00004   0.00136  -0.00107   0.00102  -2.96480
   D154       3.11830  -0.00005   0.00128  -0.00166   0.00078   3.11908
   D155       0.15132  -0.00003   0.00138   0.00017   0.00141   0.15273
   D156      -1.43230  -0.00001  -0.00507  -0.00117  -0.00548  -1.43778
   D157       0.26688  -0.00002  -0.00344   0.00111  -0.00314   0.26373
   D158       2.84035   0.00000  -0.00649  -0.01321  -0.01052   2.82984
   D159       1.73384  -0.00001  -0.00390  -0.00048  -0.00404   1.72980
   D160      -3.09939  -0.00005  -0.00507  -0.00152  -0.00550  -3.10489
   D161       1.50078  -0.00004  -0.00522  -0.00353  -0.00632   1.49446
   D162      -3.08323  -0.00005  -0.00359  -0.00125  -0.00398  -3.08721
   D163      -0.50975  -0.00003  -0.00664  -0.01557  -0.01136  -0.52111
   D164      -1.61626  -0.00004  -0.00405  -0.00283  -0.00488  -1.62114
   D165      -0.16631  -0.00008  -0.00522  -0.00388  -0.00634  -0.17265
   D166       1.76924  -0.00009  -0.00270  -0.00473  -0.00405   1.76519
   D167      -0.59796   0.00001   0.00092   0.00039   0.00111  -0.59686
   D168       0.06477  -0.00008  -0.00476  -0.00720  -0.00692   0.05785
   D169      -2.30243   0.00002  -0.00115  -0.00209  -0.00176  -2.30419
   D170      -2.51627  -0.00009  -0.00149   0.00723   0.00073  -2.51554
   D171       1.39971   0.00002   0.00213   0.01235   0.00588   1.40559
   D172      -1.42289  -0.00008  -0.00377  -0.00556  -0.00549  -1.42838
   D173       2.49309   0.00003  -0.00015  -0.00045  -0.00033   2.49276
   D174      -2.86182  -0.00004  -0.00298  -0.00454  -0.00435  -2.86617
   D175       1.05416   0.00006   0.00064   0.00058   0.00081   1.05497
   D176       1.11417  -0.00009  -0.00660  -0.00785  -0.00895   1.10522
   D177       3.03969  -0.00007   0.00028  -0.00690  -0.00183   3.03786
   D178       1.29956   0.00001   0.00272  -0.00415   0.00138   1.30094
   D179      -1.64077   0.00001   0.00255  -0.00473   0.00123  -1.63953
   D180      -0.20654  -0.00006   0.00247  -0.00466   0.00109  -0.20545
   D181       2.10065  -0.00001  -0.00327   0.00256  -0.00249   2.09817
   D182      -0.71092  -0.00005  -0.01514  -0.01221  -0.01880  -0.72972
   D183      -2.63435   0.00005  -0.00402   0.00344  -0.00309  -2.63745
   D184       0.43121   0.00006  -0.00465   0.00068  -0.00437   0.42684
   D185      -1.17091   0.00005  -0.00295   0.00152  -0.00256  -1.17347
   D186      -2.43512   0.00014   0.00305   0.00792   0.00535  -2.42977
   D187       0.07929   0.00014  -0.00024   0.00401   0.00099   0.08029
   D188       2.10953  -0.00009  -0.00584  -0.00658  -0.00783   2.10171
   D189      -0.36953  -0.00001  -0.00314  -0.00225  -0.00380  -0.37332
   D190       0.89818  -0.00007  -0.00142   0.00469   0.00001   0.89819
   D191      -2.26090  -0.00007  -0.00178   0.00336  -0.00074  -2.26164
   D192       0.08009   0.00002  -0.00070  -0.00126  -0.00106   0.07903
   D193      -3.09139   0.00004  -0.00017   0.00069   0.00005  -3.09134
   D194      -3.04474   0.00002  -0.00036   0.00001  -0.00034  -3.04507
   D195       0.06696   0.00004   0.00017   0.00197   0.00077   0.06774
   D196      -1.15490   0.00000   0.00028  -0.00012   0.00024  -1.15466
   D197       0.89076  -0.00001   0.00033  -0.00015   0.00028   0.89104
   D198       3.01697   0.00002   0.00017  -0.00002   0.00016   3.01713
   D199       1.97010   0.00000  -0.00004  -0.00139  -0.00046   1.96964
   D200      -2.26743  -0.00001   0.00001  -0.00141  -0.00041  -2.26784
   D201      -0.14121   0.00003  -0.00015  -0.00129  -0.00054  -0.14175
   D202      -1.44546   0.00006   0.00005  -0.00124  -0.00031  -1.44576
   D203       0.57538   0.00003  -0.00024  -0.00158  -0.00070   0.57468
   D204       2.65405   0.00004  -0.00010  -0.00144  -0.00053   2.65353
   D205       1.72597   0.00004  -0.00047  -0.00318  -0.00141   1.72456
   D206      -2.53638   0.00001  -0.00076  -0.00353  -0.00181  -2.53819
   D207      -0.45771   0.00002  -0.00063  -0.00339  -0.00163  -0.45934
   D208       0.70625  -0.00005  -0.00055  -0.00042  -0.00064   0.70561
   D209      -2.50408   0.00007  -0.00006  -0.00004  -0.00005  -2.50412
   D210      -1.36294  -0.00008   0.00015  -0.00036   0.00005  -1.36289
   D211       1.70992   0.00004   0.00063   0.00002   0.00065   1.71056
   D212       2.86418  -0.00004  -0.00084  -0.00019  -0.00089   2.86330
   D213      -0.34614   0.00008  -0.00036   0.00019  -0.00029  -0.34643
   D214       0.98496  -0.00002   0.00174   0.00178   0.00229   0.98725
   D215      -2.08311  -0.00013   0.00117   0.00139   0.00163  -2.08148
   D216      -0.00207  -0.00002  -0.00582   0.00197  -0.00522  -0.00730
   D217      -2.92086  -0.00006   0.00010   0.00032   0.00020  -2.92066
   D218       3.06859   0.00008  -0.00536   0.00237  -0.00465   3.06394
   D219       0.14980   0.00004   0.00056   0.00072   0.00077   0.15057
   D220      -2.47928  -0.00002  -0.00120   0.00075  -0.00098  -2.48026
   D221      -0.39273   0.00005  -0.00112   0.00101  -0.00082  -0.39355
   D222       1.68619   0.00013  -0.00159   0.00179  -0.00105   1.68514
   D223       0.88233  -0.00007   0.00469  -0.00086   0.00443   0.88676
   D224       2.96888   0.00000   0.00476  -0.00059   0.00459   2.97347
   D225      -1.23538   0.00008   0.00430   0.00018   0.00435  -1.23103
         Item               Value     Threshold  Converged?
 Maximum Force            0.000418     0.000450     YES
 RMS     Force            0.000075     0.000300     YES
 Maximum Displacement     0.063305     0.001800     NO 
 RMS     Displacement     0.009928     0.001200     NO 
 Predicted change in Energy=-1.497244D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.041271    2.572757    3.563145
      2          6           0       -3.291532    1.219131    3.661451
      3          6           0       -2.052518    1.146339    2.812215
      4          6           0       -1.675198    0.288089    1.790221
      5          7           0       -0.975563    2.036887    2.953617
      6          6           0       -0.006285    1.701322    2.040524
      7          7           0       -0.398947    0.643494    1.316119
      8          6           0       -5.217439    0.930183    0.157037
      9          6           0       -5.881970   -0.152929   -0.721352
     10          6           0       -5.253857   -1.555428   -0.527685
     11          6           0       -3.782474   -1.563489   -0.933080
     12          8           0       -3.415411   -1.104265   -2.063467
     13          8           0       -2.910937   -2.029520   -0.032323
     14          6           0       -2.236818    4.239710   -2.987386
     15          6           0       -0.989768    3.811649   -3.788638
     16          6           0       -0.181216    2.743307   -3.100460
     17          6           0       -0.302234    2.111667   -1.872294
     18          7           0        0.944472    2.147771   -3.696607
     19          6           0        1.450437    1.197790   -2.843615
     20          7           0        0.716305    1.153978   -1.723702
     21          6           0        4.722708    3.968872    1.472325
     22          6           0        5.182905    2.590307    1.995223
     23          6           0        4.207702    1.496104    1.652526
     24          6           0        3.222434    1.405177    0.679534
     25          7           0        4.134308    0.278271    2.347236
     26          6           0        3.132097   -0.488147    1.796456
     27          7           0        2.562248    0.173264    0.783631
     28         30           0        0.767487   -0.402034   -0.229359
     29          1           0       -4.947619    2.549828    4.179821
     30          1           0       -4.336124    2.782087    2.529069
     31          1           0       -3.423788    3.409535    3.918560
     32          1           0       -3.959260    0.409324    3.348073
     33          1           0       -3.037514    1.021362    4.714002
     34          1           0       -2.231344   -0.533453    1.361684
     35          1           0       -0.930321    2.804748    3.610694
     36          1           0        0.932248    2.221482    1.942793
     37          1           0       -4.152712    1.032794   -0.088684
     38          1           0       -5.299783    0.674143    1.223026
     39          1           0       -5.697776    1.905871    0.005447
     40          1           0       -6.955214   -0.208693   -0.490306
     41          1           0       -5.787925    0.124342   -1.778619
     42          1           0       -5.339826   -1.887068    0.513317
     43          1           0       -5.788528   -2.278203   -1.160233
     44          1           0       -2.911591    3.391087   -2.825006
     45          1           0       -2.790204    5.011965   -3.533142
     46          1           0       -1.958546    4.653243   -2.009690
     47          1           0       -1.308289    3.444463   -4.775750
     48          1           0       -0.355423    4.692146   -3.973149
     49          1           0       -1.052762    2.252970   -1.113101
     50          1           0        1.304428    2.365430   -4.617251
     51          1           0        2.288567    0.555070   -3.056208
     52          1           0        4.623145    3.966921    0.380069
     53          1           0        3.757141    4.254580    1.906000
     54          1           0        5.456196    4.739047    1.735896
     55          1           0        5.312189    2.640001    3.086393
     56          1           0        6.172875    2.356586    1.576484
     57          1           0        2.946205    2.125106   -0.072874
     58          1           0        4.715685    0.012834    3.132266
     59          1           0        2.831449   -1.464188    2.140570
     60          8           0       -0.799874   -1.370899   -1.079471
     61          1           0       -1.199931   -1.041885   -1.914754
     62          1           0       -1.682736   -1.745924   -0.530465
     63          6           0        2.949863   -2.541595   -1.570548
     64          8           0        2.264317   -1.481569   -1.693244
     65          7           0        2.392582   -3.727290   -1.180961
     66          6           0        0.953209   -3.900930   -0.966599
     67          6           0        0.482714   -3.437567    0.419692
     68          8           0        0.955581   -2.369277    0.934443
     69          7           0       -0.493421   -4.167279    0.999407
     70          1           0        0.406632   -3.257618   -1.668009
     71          1           0        0.688787   -4.946530   -1.155995
     72          1           0        2.998120   -4.529904   -1.057814
     73          1           0       -0.861751   -4.965693    0.492629
     74          6           0       -1.248339   -3.723828    2.188148
     75          1           0       -1.437305   -4.579741    2.843710
     76          1           0       -0.651922   -2.980894    2.721898
     77          1           0       -2.191847   -3.267997    1.866078
     78          6           0        4.436554   -2.553763   -1.875757
     79          1           0        4.586197   -2.375161   -2.947114
     80          1           0        4.919431   -1.733678   -1.334739
     81          1           0        4.924608   -3.497097   -1.609975
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968520      0.0726729      0.0660771
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.6888603607 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33679 LenP2D=  122068.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999999   -0.000783    0.001035    0.000104 Ang=  -0.15 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97574672     A.U. after    9 cycles
            NFock=  9  Conv=0.90D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33679 LenP2D=  122068.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000116568    0.000213780    0.000015756
      3        6          -0.000144651   -0.000027701    0.000160316
      4        6           0.000324186   -0.000300124   -0.000237915
      5        7           0.000170631    0.000078587    0.000011144
      6        6          -0.000225036   -0.000198740   -0.000128974
      7        7          -0.000137058    0.000822909    0.000322661
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000004725   -0.000120396    0.000015552
     10        6           0.000243198    0.000016503   -0.000109878
     11        6          -0.000166839   -0.000153568   -0.000048907
     12        8           0.000078088   -0.000229771   -0.000118592
     13        8          -0.000285661    0.000019270    0.000127517
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000062392    0.000126164    0.000029037
     16        6          -0.000230287   -0.000194783   -0.000139569
     17        6          -0.000225730    0.000030044    0.000112351
     18        7           0.000345019   -0.000014281    0.000143294
     19        6          -0.000299647    0.000014240    0.000002407
     20        7           0.000297158    0.000267470   -0.000033243
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000007514   -0.000044931    0.000009254
     23        6           0.000233066   -0.000189309    0.000043804
     24        6          -0.000092375    0.000084609    0.000008796
     25        7          -0.000249988    0.000125749   -0.000124880
     26        6           0.000215573    0.000029514    0.000035178
     27        7          -0.000255794   -0.000075494   -0.000076637
     28       30           0.000466663   -0.000939061    0.000210118
     29        1          -0.000098675   -0.000077958   -0.000085113
     30        1           0.000040399    0.000002916   -0.000066965
     31        1           0.000046791    0.000047625    0.000000302
     32        1          -0.000015809   -0.000080217   -0.000033227
     33        1           0.000034214   -0.000004002   -0.000061391
     34        1          -0.000000619    0.000071003   -0.000003863
     35        1          -0.000055544   -0.000022905   -0.000013159
     36        1           0.000092786   -0.000068780   -0.000076265
     37        1           0.000089519   -0.000068897    0.000005260
     38        1           0.000139162   -0.000012225   -0.000012465
     39        1           0.000153126   -0.000130885    0.000021953
     40        1           0.000023545   -0.000016285    0.000086577
     41        1          -0.000054013    0.000044755    0.000006065
     42        1           0.000057756    0.000104507    0.000014701
     43        1          -0.000040800    0.000010478    0.000041954
     44        1          -0.000042136    0.000076791    0.000000349
     45        1          -0.000069485   -0.000024492   -0.000013365
     46        1           0.000056642    0.000040024   -0.000065136
     47        1          -0.000054795    0.000022741   -0.000069735
     48        1           0.000072848   -0.000028102   -0.000009514
     49        1           0.000024324   -0.000013784    0.000037218
     50        1          -0.000023543   -0.000023265    0.000011778
     51        1           0.000036783    0.000024436   -0.000023233
     52        1           0.000022555    0.000001097    0.000031839
     53        1           0.000151378   -0.000039931    0.000066444
     54        1           0.000081828    0.000003247   -0.000002979
     55        1          -0.000009742   -0.000001954   -0.000006879
     56        1          -0.000007459    0.000021117    0.000003087
     57        1           0.000047898    0.000024257    0.000039571
     58        1           0.000024835   -0.000058937    0.000027888
     59        1           0.000029148   -0.000034702    0.000069911
     60        8          -0.000224086   -0.000192640   -0.000278063
     61        1           0.000298623    0.000449926    0.000291955
     62        1           0.000285033    0.000231995    0.000021774
     63        6          -0.000027277    0.000032556   -0.000046784
     64        8          -0.000295504    0.000337023   -0.000196923
     65        7           0.000099258    0.000023988   -0.000075879
     66        6          -0.000246787   -0.000058891    0.000023231
     67        6           0.000285323    0.000040383   -0.000027029
     68        8          -0.000210483   -0.000208598    0.000006327
     69        7           0.000187991   -0.000409243    0.000062732
     70        1           0.000054400    0.000032428    0.000032191
     71        1           0.000022060    0.000077441    0.000028971
     72        1          -0.000012676   -0.000014862    0.000001319
     73        1          -0.000070430    0.000089732    0.000052747
     74        6          -0.000286910   -0.000084724    0.000010745
     75        1           0.000076296    0.000122891    0.000043152
     76        1          -0.000002261    0.000082116   -0.000056931
     77        1           0.000087462    0.000175396   -0.000140860
     78        6          -0.000191711   -0.000086157    0.000123260
     79        1           0.000101408    0.000007494   -0.000057494
     80        1           0.000000658    0.000044041   -0.000032388
     81        1           0.000006789   -0.000014927   -0.000007733
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000939061 RMS     0.000151990

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000563614 RMS     0.000087160
 Search for a local minimum.
 Step number  34 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
 DE= -1.47D-05 DEPred=-1.50D-05 R= 9.82D-01
 TightC=F SS=  1.41D+00  RLast= 6.29D-02 DXNew= 5.0454D+00 1.8866D-01
 Trust test= 9.82D-01 RLast= 6.29D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00086   0.00147   0.00194   0.00230   0.00230
     Eigenvalues ---    0.00232   0.00240   0.00314   0.00385   0.00506
     Eigenvalues ---    0.00535   0.00593   0.00638   0.00676   0.00727
     Eigenvalues ---    0.00786   0.00819   0.00867   0.00877   0.00977
     Eigenvalues ---    0.01184   0.01224   0.01309   0.01360   0.01455
     Eigenvalues ---    0.01532   0.01569   0.01708   0.01750   0.01765
     Eigenvalues ---    0.01799   0.01843   0.01897   0.01921   0.01934
     Eigenvalues ---    0.02004   0.02063   0.02152   0.02236   0.02268
     Eigenvalues ---    0.02300   0.02388   0.02556   0.02645   0.02775
     Eigenvalues ---    0.03145   0.03196   0.03641   0.03914   0.03954
     Eigenvalues ---    0.04110   0.04125   0.04290   0.04406   0.04474
     Eigenvalues ---    0.04665   0.04880   0.04988   0.05254   0.05325
     Eigenvalues ---    0.05366   0.05383   0.05391   0.05426   0.05444
     Eigenvalues ---    0.05511   0.05513   0.05524   0.05532   0.05572
     Eigenvalues ---    0.05894   0.06098   0.06710   0.06898   0.06959
     Eigenvalues ---    0.07392   0.07475   0.07658   0.07731   0.08301
     Eigenvalues ---    0.08511   0.08818   0.09242   0.09329   0.09466
     Eigenvalues ---    0.09687   0.10041   0.10400   0.10722   0.10990
     Eigenvalues ---    0.11979   0.12291   0.12566   0.12898   0.12986
     Eigenvalues ---    0.13017   0.13457   0.14360   0.14558   0.15087
     Eigenvalues ---    0.15598   0.15759   0.15846   0.15915   0.15979
     Eigenvalues ---    0.15982   0.15987   0.15993   0.15996   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16002   0.16004
     Eigenvalues ---    0.16008   0.16010   0.16011   0.16020   0.16029
     Eigenvalues ---    0.16036   0.16045   0.16061   0.16077   0.16111
     Eigenvalues ---    0.16180   0.16255   0.16332   0.16365   0.16421
     Eigenvalues ---    0.16756   0.18489   0.20409   0.20750   0.21219
     Eigenvalues ---    0.21594   0.22223   0.22341   0.22450   0.22792
     Eigenvalues ---    0.22983   0.23115   0.23159   0.23595   0.23867
     Eigenvalues ---    0.24050   0.24251   0.24417   0.24713   0.25089
     Eigenvalues ---    0.25277   0.26863   0.27344   0.27676   0.28170
     Eigenvalues ---    0.28224   0.28262   0.28748   0.29141   0.30412
     Eigenvalues ---    0.30767   0.30934   0.31562   0.31647   0.31924
     Eigenvalues ---    0.33529   0.33616   0.33630   0.33662   0.33670
     Eigenvalues ---    0.33773   0.33808   0.33856   0.33909   0.33918
     Eigenvalues ---    0.33935   0.33940   0.33984   0.33994   0.34007
     Eigenvalues ---    0.34031   0.34057   0.34087   0.34093   0.34131
     Eigenvalues ---    0.34160   0.34180   0.34189   0.34199   0.34248
     Eigenvalues ---    0.34291   0.34303   0.34540   0.34802   0.35341
     Eigenvalues ---    0.35718   0.35766   0.36162   0.36232   0.36341
     Eigenvalues ---    0.36490   0.36527   0.37302   0.39086   0.39419
     Eigenvalues ---    0.39904   0.42333   0.42669   0.42771   0.43745
     Eigenvalues ---    0.45302   0.45438   0.45452   0.45535   0.45583
     Eigenvalues ---    0.45609   0.45645   0.46198   0.48874   0.49195
     Eigenvalues ---    0.49506   0.49871   0.49987   0.52480   0.54527
     Eigenvalues ---    0.54886   0.55082   0.56644   0.66752   0.73196
     Eigenvalues ---    0.766671000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    34   33   32   31   30
 RFO step:  Lambda=-7.77417962D-06.
 DidBck=F Rises=F RFO-DIIS coefs:    2.03685   -1.44157    0.14222    0.28222   -0.01973
 Iteration  1 RMS(Cart)=  0.01085903 RMS(Int)=  0.00006050
 Iteration  2 RMS(Cart)=  0.00010479 RMS(Int)=  0.00001546
 Iteration  3 RMS(Cart)=  0.00000002 RMS(Int)=  0.00001546
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00003   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00005   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498  -0.00011   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00039   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00028   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00008   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00010   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00014   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00013   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00030   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00011   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00008   0.00000   0.00000   0.00000   4.09468
    R1        2.93004   0.00006  -0.00033  -0.00001  -0.00032   2.92972
    R2        2.07206  -0.00015  -0.00010  -0.00016  -0.00027   2.07178
    R3        2.07015   0.00007  -0.00035   0.00019  -0.00016   2.06999
    R4        2.07681  -0.00005  -0.00038   0.00010  -0.00028   2.07653
    R5        2.84192  -0.00011  -0.00010  -0.00019  -0.00027   2.84165
    R6        2.06996  -0.00006  -0.00045   0.00004  -0.00041   2.06955
    R7        2.07999  -0.00007  -0.00051   0.00001  -0.00051   2.07948
    R8        2.62082  -0.00006  -0.00005  -0.00010  -0.00015   2.62067
    R9        2.65431  -0.00001   0.00011  -0.00007   0.00004   2.65435
   R10        2.65902  -0.00010   0.00029  -0.00030   0.00000   2.65901
   R11        2.04219   0.00006   0.00008   0.00006   0.00014   2.04234
   R12        2.59508   0.00008  -0.00011   0.00005  -0.00005   2.59504
   R13        1.91171   0.00000  -0.00002   0.00001  -0.00001   1.91170
   R14        2.53389   0.00001   0.00011   0.00006   0.00017   2.53406
   R15        2.03614  -0.00001   0.00006  -0.00005   0.00001   2.03615
   R16        4.15834  -0.00015   0.00276  -0.00502  -0.00224   4.15611
   R17        2.91918  -0.00009   0.00006   0.00002   0.00006   2.91925
   R18        2.07401  -0.00005  -0.00003  -0.00008  -0.00011   2.07390
   R19        2.07756  -0.00003  -0.00011  -0.00001  -0.00012   2.07744
   R20        2.07498   0.00020  -0.00004   0.00020   0.00017   2.07515
   R21        2.92696  -0.00001  -0.00013  -0.00011  -0.00024   2.92672
   R22        2.07728   0.00003  -0.00001   0.00005   0.00004   2.07732
   R23        2.07314  -0.00003   0.00004  -0.00008  -0.00004   2.07310
   R24        2.88416   0.00023   0.00012   0.00042   0.00054   2.88469
   R25        2.07101   0.00006  -0.00003   0.00013   0.00010   2.07110
   R26        2.07732  -0.00004   0.00002   0.00000   0.00002   2.07734
   R27        2.40775   0.00008  -0.00024   0.00033   0.00010   2.40785
   R28        2.52696   0.00029  -0.00005  -0.00007  -0.00011   2.52685
   R29        4.19773  -0.00016   0.00020  -0.01074  -0.01054   4.18718
   R30        2.56129  -0.00008  -0.00104  -0.00032  -0.00137   2.55992
   R31        2.91556   0.00006   0.00005  -0.00002   0.00003   2.91559
   R32        2.07168   0.00006  -0.00001   0.00003   0.00002   2.07171
   R33        2.07049  -0.00003   0.00002  -0.00005  -0.00002   2.07047
   R34        2.07383  -0.00008  -0.00009  -0.00002  -0.00012   2.07370
   R35        2.84635  -0.00004   0.00002  -0.00004  -0.00003   2.84631
   R36        2.07927   0.00006   0.00002   0.00008   0.00009   2.07937
   R37        2.08017   0.00001  -0.00005   0.00003  -0.00002   2.08015
   R38        2.61985   0.00010   0.00007   0.00017   0.00023   2.62008
   R39        2.65722  -0.00025  -0.00004  -0.00031  -0.00035   2.65687
   R40        2.65684  -0.00013  -0.00018  -0.00006  -0.00025   2.65660
   R41        2.03497   0.00004   0.00004   0.00002   0.00006   2.03504
   R42        2.59523   0.00007   0.00001   0.00002   0.00004   2.59527
   R43        1.91276   0.00001   0.00000   0.00001   0.00001   1.91277
   R44        2.53186   0.00006  -0.00005   0.00007   0.00002   2.53188
   R45        2.03595  -0.00002  -0.00002  -0.00001  -0.00003   2.03592
   R46        4.07798  -0.00021  -0.00203  -0.00055  -0.00259   4.07539
   R47        2.91878  -0.00008   0.00001  -0.00008  -0.00006   2.91872
   R48        2.07263  -0.00003  -0.00003  -0.00003  -0.00007   2.07256
   R49        2.07184   0.00016   0.00005   0.00015   0.00021   2.07205
   R50        2.07065  -0.00004  -0.00008  -0.00002  -0.00010   2.07055
   R51        2.84449  -0.00001  -0.00008  -0.00004  -0.00012   2.84436
   R52        2.07856  -0.00001  -0.00002  -0.00001  -0.00004   2.07852
   R53        2.07871   0.00000   0.00003  -0.00001   0.00001   2.07872
   R54        2.62239  -0.00004  -0.00006  -0.00004  -0.00012   2.62227
   R55        2.65312   0.00008   0.00001   0.00006   0.00007   2.65318
   R56        2.64851  -0.00004  -0.00007  -0.00017  -0.00024   2.64827
   R57        2.03593  -0.00001  -0.00003  -0.00003  -0.00006   2.03587
   R58        2.60150   0.00006  -0.00001   0.00008   0.00007   2.60157
   R59        1.91295  -0.00001   0.00000   0.00000  -0.00001   1.91294
   R60        2.52687  -0.00004   0.00003   0.00008   0.00011   2.52699
   R61        2.03658  -0.00003   0.00000  -0.00001  -0.00001   2.03656
   R62        4.04343   0.00012  -0.00064   0.00077   0.00012   4.04355
   R63        3.83480   0.00027  -0.00049  -0.00040  -0.00089   3.83391
   R64        4.45144   0.00042  -0.00296   0.01267   0.00971   4.46115
   R65        4.33397  -0.00005   0.00189  -0.00013   0.00176   4.33573
   R66        1.85732  -0.00019  -0.00010   0.00009  -0.00002   1.85729
   R67        2.08855   0.00025   0.00113   0.00047   0.00160   2.09015
   R68        2.39681   0.00000  -0.00001  -0.00005  -0.00007   2.39675
   R69        2.58293  -0.00003  -0.00050   0.00018  -0.00033   2.58260
   R70        2.86812   0.00009   0.00038   0.00012   0.00050   2.86862
   R71        2.76953  -0.00003  -0.00004  -0.00023  -0.00027   2.76926
   R72        1.91417   0.00000  -0.00003   0.00002  -0.00001   1.91415
   R73        2.90174   0.00003  -0.00011   0.00020   0.00009   2.90183
   R74        2.07403   0.00001   0.00009   0.00001   0.00010   2.07413
   R75        2.06929   0.00006  -0.00001   0.00009   0.00008   2.06937
   R76        2.41250   0.00013  -0.00018   0.00003  -0.00016   2.41234
   R77        2.55035  -0.00003   0.00009  -0.00007   0.00001   2.55037
   R78        1.91782   0.00002   0.00001   0.00002   0.00003   1.91785
   R79        2.78993  -0.00017  -0.00029  -0.00011  -0.00040   2.78952
   R80        2.06841   0.00012   0.00007   0.00018   0.00025   2.06866
   R81        2.06366  -0.00009  -0.00010  -0.00013  -0.00024   2.06342
   R82        2.07157   0.00008  -0.00004   0.00018   0.00014   2.07171
   R83        2.07190   0.00005  -0.00005   0.00010   0.00005   2.07195
   R84        2.06872  -0.00005   0.00001  -0.00010  -0.00009   2.06863
   R85        2.06898  -0.00002  -0.00005   0.00001  -0.00005   2.06894
    A1        1.92387   0.00002   0.00018  -0.00003   0.00015   1.92402
    A2        1.93566  -0.00002  -0.00019   0.00006  -0.00013   1.93553
    A3        1.95253   0.00004   0.00000   0.00016   0.00015   1.95268
    A4        1.88852  -0.00001   0.00001  -0.00011  -0.00009   1.88842
    A5        1.87388  -0.00003  -0.00003  -0.00025  -0.00027   1.87362
    A6        1.88705   0.00001   0.00003   0.00015   0.00017   1.88722
    A7        1.98759  -0.00013   0.00000  -0.00045  -0.00041   1.98718
    A8        1.90977   0.00002  -0.00011   0.00000  -0.00013   1.90964
    A9        1.90613   0.00004  -0.00011   0.00025   0.00012   1.90626
   A10        1.88062   0.00001  -0.00017  -0.00017  -0.00035   1.88027
   A11        1.91896   0.00006   0.00034   0.00022   0.00056   1.91952
   A12        1.85608   0.00000   0.00004   0.00020   0.00024   1.85632
   A13        2.30531  -0.00020  -0.00024  -0.00052  -0.00077   2.30454
   A14        2.14618   0.00014   0.00025   0.00038   0.00064   2.14682
   A15        1.83169   0.00006   0.00000   0.00014   0.00013   1.83182
   A16        1.91638  -0.00006   0.00006  -0.00017  -0.00010   1.91628
   A17        2.24292   0.00002   0.00003   0.00020   0.00022   2.24314
   A18        2.12372   0.00004  -0.00006  -0.00001  -0.00008   2.12364
   A19        1.89580  -0.00002  -0.00001  -0.00001  -0.00001   1.89579
   A20        2.19065   0.00006   0.00027   0.00015   0.00042   2.19107
   A21        2.19664  -0.00005  -0.00028  -0.00014  -0.00042   2.19622
   A22        1.92335  -0.00011   0.00014  -0.00026  -0.00011   1.92324
   A23        2.16174   0.00006  -0.00018   0.00018   0.00001   2.16175
   A24        2.19805   0.00005   0.00003   0.00008   0.00011   2.19816
   A25        1.85755   0.00012  -0.00019   0.00030   0.00009   1.85765
   A26        2.21108   0.00012   0.00212   0.00186   0.00395   2.21502
   A27        2.21310  -0.00024  -0.00165  -0.00190  -0.00356   2.20954
   A28        1.93433   0.00010  -0.00027   0.00029   0.00003   1.93435
   A29        1.93460  -0.00004   0.00002  -0.00005  -0.00003   1.93457
   A30        1.93515  -0.00005   0.00009  -0.00032  -0.00022   1.93492
   A31        1.88759   0.00005   0.00013   0.00056   0.00069   1.88828
   A32        1.88641  -0.00004   0.00008  -0.00013  -0.00005   1.88635
   A33        1.88393  -0.00002  -0.00005  -0.00035  -0.00040   1.88352
   A34        1.97071   0.00007   0.00006   0.00019   0.00025   1.97095
   A35        1.91353  -0.00009   0.00031  -0.00039  -0.00007   1.91346
   A36        1.91125   0.00002  -0.00037   0.00013  -0.00025   1.91100
   A37        1.90045   0.00003  -0.00002   0.00019   0.00018   1.90063
   A38        1.89082  -0.00008   0.00012  -0.00035  -0.00023   1.89060
   A39        1.87453   0.00004  -0.00012   0.00023   0.00011   1.87464
   A40        1.94177  -0.00014   0.00002   0.00026   0.00027   1.94204
   A41        1.94010   0.00002   0.00025   0.00024   0.00050   1.94061
   A42        1.90305   0.00007  -0.00003   0.00024   0.00022   1.90327
   A43        1.90322   0.00010  -0.00019   0.00029   0.00010   1.90331
   A44        1.88872   0.00000   0.00015  -0.00051  -0.00035   1.88836
   A45        1.88543  -0.00006  -0.00021  -0.00058  -0.00079   1.88463
   A46        2.10771  -0.00023  -0.00004  -0.00063  -0.00068   2.10703
   A47        2.03897   0.00015  -0.00014   0.00047   0.00034   2.03931
   A48        2.13585   0.00008   0.00018   0.00018   0.00037   2.13622
   A49        1.81116  -0.00014  -0.00059   0.00025  -0.00034   1.81083
   A50        1.84430  -0.00005   0.00068  -0.00008   0.00060   1.84490
   A51        1.93869  -0.00007  -0.00014  -0.00021  -0.00035   1.93835
   A52        1.92315  -0.00008  -0.00010  -0.00021  -0.00032   1.92284
   A53        1.94150   0.00009   0.00026   0.00022   0.00049   1.94199
   A54        1.88442   0.00008   0.00001   0.00049   0.00049   1.88491
   A55        1.89210  -0.00001  -0.00001  -0.00011  -0.00012   1.89199
   A56        1.88204   0.00000  -0.00003  -0.00017  -0.00019   1.88184
   A57        1.97513   0.00011   0.00009   0.00027   0.00034   1.97547
   A58        1.90129   0.00002  -0.00016  -0.00002  -0.00016   1.90113
   A59        1.90806  -0.00008   0.00020  -0.00020   0.00000   1.90806
   A60        1.90560  -0.00010  -0.00013  -0.00034  -0.00047   1.90513
   A61        1.91196   0.00003   0.00017   0.00037   0.00055   1.91251
   A62        1.85811   0.00000  -0.00019  -0.00011  -0.00030   1.85781
   A63        2.32000   0.00005  -0.00023   0.00021  -0.00003   2.31996
   A64        2.13701  -0.00007   0.00023  -0.00021   0.00004   2.13705
   A65        1.82606   0.00001  -0.00003   0.00000  -0.00002   1.82604
   A66        1.91850  -0.00001  -0.00007  -0.00009  -0.00015   1.91835
   A67        2.24671   0.00000   0.00007  -0.00012  -0.00005   2.24666
   A68        2.11739   0.00002   0.00000   0.00019   0.00018   2.11758
   A69        1.90136   0.00006   0.00006   0.00015   0.00021   1.90158
   A70        2.18859  -0.00002   0.00001   0.00001   0.00003   2.18861
   A71        2.19280  -0.00004  -0.00011  -0.00018  -0.00028   2.19252
   A72        1.91763  -0.00008  -0.00014  -0.00015  -0.00029   1.91734
   A73        2.18549   0.00004   0.00001   0.00031   0.00032   2.18581
   A74        2.17936   0.00005   0.00009  -0.00015  -0.00007   2.17930
   A75        1.86120   0.00002   0.00016   0.00008   0.00024   1.86144
   A76        2.19141   0.00012   0.00086   0.00086   0.00170   2.19310
   A77        2.20112  -0.00013  -0.00007  -0.00037  -0.00044   2.20069
   A78        1.94186   0.00000  -0.00010   0.00001  -0.00009   1.94177
   A79        1.94022   0.00006   0.00017   0.00013   0.00029   1.94051
   A80        1.92460   0.00008  -0.00001   0.00019   0.00018   1.92478
   A81        1.89066  -0.00004  -0.00003  -0.00015  -0.00018   1.89048
   A82        1.87713  -0.00003   0.00001   0.00001   0.00003   1.87716
   A83        1.88728  -0.00008  -0.00004  -0.00021  -0.00025   1.88702
   A84        1.95919  -0.00005  -0.00002  -0.00029  -0.00031   1.95888
   A85        1.90768   0.00002   0.00012   0.00007   0.00020   1.90787
   A86        1.90595   0.00003  -0.00003   0.00012   0.00009   1.90603
   A87        1.91224   0.00002   0.00020   0.00009   0.00029   1.91253
   A88        1.91978   0.00000  -0.00030   0.00004  -0.00026   1.91952
   A89        1.85611  -0.00001   0.00003  -0.00001   0.00002   1.85613
   A90        2.30131   0.00009   0.00007  -0.00004   0.00002   2.30132
   A91        2.15528  -0.00006  -0.00005   0.00009   0.00005   2.15533
   A92        1.82657  -0.00004  -0.00001  -0.00004  -0.00006   1.82651
   A93        1.91767   0.00005   0.00001   0.00007   0.00009   1.91776
   A94        2.24967   0.00000   0.00005   0.00005   0.00009   2.24977
   A95        2.11584  -0.00005  -0.00006  -0.00013  -0.00019   2.11565
   A96        1.89970  -0.00002   0.00003   0.00001   0.00004   1.89973
   A97        2.19095  -0.00005  -0.00004  -0.00016  -0.00020   2.19075
   A98        2.19246   0.00006   0.00001   0.00014   0.00015   2.19262
   A99        1.91550  -0.00001  -0.00007  -0.00008  -0.00016   1.91534
   A100       2.18897  -0.00002   0.00007  -0.00005   0.00003   2.18900
   A101       2.17845   0.00004  -0.00001   0.00013   0.00012   2.17857
   A102       1.86533   0.00001   0.00004   0.00004   0.00008   1.86540
   A103       2.20965  -0.00003   0.00049   0.00085   0.00132   2.21097
   A104       2.19329   0.00002  -0.00070  -0.00077  -0.00145   2.19184
   A105       1.70235  -0.00004   0.00175   0.00185   0.00361   1.70596
   A106       1.55517   0.00011  -0.00229   0.00205  -0.00026   1.55491
   A107       1.68268  -0.00012  -0.00175   0.00274   0.00093   1.68361
   A108       3.00760   0.00005  -0.00005  -0.00122  -0.00127   3.00634
   A109       1.66557   0.00004  -0.00225   0.00085  -0.00145   1.66412
   A110       1.72527  -0.00004  -0.00074  -0.00257  -0.00323   1.72205
   A111       1.60665   0.00002   0.00178   0.00130   0.00313   1.60978
   A112       1.48587   0.00003   0.00118  -0.00195  -0.00072   1.48516
   A113       2.90370  -0.00001   0.00096  -0.00188  -0.00090   2.90280
   A114       2.91553   0.00003   0.00084  -0.00167  -0.00070   2.91484
   A115       1.45497  -0.00006   0.00288  -0.00329  -0.00036   1.45461
   A116       1.49231   0.00002  -0.00054  -0.00009  -0.00062   1.49169
   A117       1.58245   0.00007   0.00048  -0.00149  -0.00098   1.58146
   A118       1.43679   0.00000   0.00029   0.00001   0.00022   1.43700
   A119       1.44056  -0.00004  -0.00101  -0.00088  -0.00189   1.43867
   A120       2.10666  -0.00002  -0.00045  -0.00026  -0.00066   2.10600
   A121       2.17839   0.00013   0.00262  -0.00227   0.00039   2.17878
   A122       1.78299  -0.00013  -0.00050  -0.00162  -0.00209   1.78089
   A123       2.04144   0.00034   0.00086   0.00396   0.00480   2.04624
   A124       2.92872  -0.00011  -0.00108  -0.00270  -0.00380   2.92492
   A125       2.13200  -0.00004   0.00067  -0.00045   0.00021   2.13221
   A126       2.11378  -0.00005  -0.00051   0.00028  -0.00023   2.11356
   A127       2.03727   0.00009  -0.00017   0.00016   0.00000   2.03727
   A128       2.30011   0.00008   0.00123  -0.00275  -0.00153   2.29858
   A129       2.14707   0.00004   0.00091  -0.00079   0.00012   2.14718
   A130       2.06949  -0.00004  -0.00057   0.00040  -0.00017   2.06931
   A131       2.06628   0.00000  -0.00034   0.00044   0.00011   2.06639
   A132       1.97929   0.00019  -0.00003   0.00015   0.00012   1.97941
   A133       1.90306   0.00003   0.00009  -0.00006   0.00004   1.90310
   A134       1.90180  -0.00004  -0.00026   0.00035   0.00008   1.90188
   A135       1.82089  -0.00012   0.00015  -0.00030  -0.00015   1.82075
   A136       1.95013  -0.00008   0.00012  -0.00020  -0.00009   1.95004
   A137       1.90593   0.00002  -0.00005   0.00003  -0.00002   1.90592
   A138       2.09791  -0.00006  -0.00024   0.00010  -0.00013   2.09777
   A139       2.03338  -0.00035  -0.00025  -0.00038  -0.00063   2.03274
   A140       2.14976   0.00042   0.00053   0.00030   0.00083   2.15059
   A141       2.07464   0.00010  -0.00033   0.00033   0.00001   2.07465
   A142       2.06392  -0.00022  -0.00014  -0.00026  -0.00039   2.06353
   A143       2.15712   0.00056   0.00019   0.00115   0.00135   2.15846
   A144       2.04069  -0.00031  -0.00033  -0.00021  -0.00054   2.04015
   A145       1.91309   0.00006   0.00042  -0.00004   0.00038   1.91347
   A146       1.89507   0.00004  -0.00006   0.00032   0.00025   1.89532
   A147       1.90544  -0.00017  -0.00011  -0.00008  -0.00019   1.90525
   A148       1.91085   0.00001   0.00031  -0.00006   0.00025   1.91110
   A149       1.93107  -0.00007  -0.00065  -0.00055  -0.00121   1.92987
   A150       1.90792   0.00014   0.00011   0.00043   0.00054   1.90846
   A151       1.90592  -0.00017  -0.00046  -0.00042  -0.00088   1.90504
   A152       1.90359   0.00004   0.00023  -0.00003   0.00020   1.90379
   A153       1.97658   0.00004   0.00018   0.00010   0.00028   1.97686
   A154       1.87621   0.00005   0.00007   0.00018   0.00026   1.87646
   A155       1.89307   0.00005   0.00006   0.00006   0.00013   1.89319
   A156       1.90588  -0.00001  -0.00009   0.00011   0.00002   1.90590
    D1        3.11189  -0.00004  -0.00047  -0.00054  -0.00101   3.11087
    D2        1.00631   0.00003  -0.00018  -0.00001  -0.00020   1.00611
    D3       -1.01884  -0.00001  -0.00011  -0.00038  -0.00048  -1.01933
    D4        1.02077  -0.00002  -0.00048  -0.00042  -0.00091   1.01986
    D5       -1.08481   0.00004  -0.00019   0.00011  -0.00010  -1.08490
    D6       -3.10996   0.00001  -0.00012  -0.00026  -0.00038  -3.11034
    D7       -1.08762  -0.00004  -0.00039  -0.00076  -0.00115  -1.08877
    D8        3.08999   0.00002  -0.00010  -0.00023  -0.00033   3.08966
    D9        1.06484  -0.00001  -0.00002  -0.00060  -0.00062   1.06422
   D10       -2.11916   0.00004   0.00157  -0.00306  -0.00149  -2.12064
   D11        1.02737  -0.00001   0.00021  -0.00396  -0.00375   1.02362
   D12        0.00267  -0.00001   0.00132  -0.00348  -0.00216   0.00050
   D13       -3.13399  -0.00006  -0.00004  -0.00439  -0.00443  -3.13842
   D14        2.01856   0.00003   0.00146  -0.00323  -0.00178   2.01679
   D15       -1.11810  -0.00003   0.00010  -0.00413  -0.00404  -1.12214
   D16       -3.13770   0.00002  -0.00017  -0.00012  -0.00028  -3.13798
   D17        0.02358  -0.00005  -0.00182  -0.00124  -0.00306   0.02052
   D18       -0.00039   0.00007   0.00101   0.00067   0.00168   0.00129
   D19       -3.12230   0.00000  -0.00064  -0.00046  -0.00109  -3.12339
   D20        3.13740   0.00002   0.00071   0.00048   0.00119   3.13858
   D21       -0.01818   0.00000  -0.00040   0.00025  -0.00015  -0.01833
   D22       -0.00041  -0.00002  -0.00034  -0.00021  -0.00055  -0.00096
   D23        3.12720  -0.00004  -0.00145  -0.00044  -0.00189   3.12532
   D24        0.00106  -0.00009  -0.00132  -0.00089  -0.00221  -0.00115
   D25        3.08759  -0.00001   0.00389   0.00382   0.00774   3.09533
   D26        3.12455  -0.00003   0.00020   0.00015   0.00034   3.12489
   D27       -0.07211   0.00005   0.00541   0.00486   0.01030  -0.06181
   D28        0.00111  -0.00004  -0.00048  -0.00035  -0.00083   0.00027
   D29       -3.13171  -0.00007  -0.00033  -0.00117  -0.00149  -3.13320
   D30       -3.12645  -0.00002   0.00062  -0.00012   0.00050  -3.12595
   D31        0.02392  -0.00005   0.00078  -0.00094  -0.00016   0.02376
   D32       -0.00131   0.00008   0.00109   0.00075   0.00184   0.00053
   D33       -3.08776  -0.00002  -0.00429  -0.00412  -0.00838  -3.09614
   D34        3.13128   0.00011   0.00093   0.00159   0.00252   3.13379
   D35        0.04483   0.00001  -0.00445  -0.00328  -0.00771   0.03712
   D36        1.97897  -0.00007  -0.00520  -0.00191  -0.00715   1.97183
   D37       -2.57966  -0.00010  -0.00623  -0.00423  -0.01042  -2.59007
   D38        0.35690  -0.00007  -0.00699  -0.00384  -0.01088   0.34601
   D39       -2.38524  -0.00003   0.01834  -0.00626   0.01207  -2.37317
   D40       -1.08920  -0.00007  -0.00693  -0.00415  -0.01103  -1.10023
   D41       -1.22859   0.00004   0.00112   0.00384   0.00493  -1.22366
   D42        0.49597   0.00002   0.00009   0.00152   0.00166   0.49762
   D43       -2.85066   0.00004  -0.00067   0.00192   0.00119  -2.84947
   D44        0.69038   0.00008   0.02466  -0.00051   0.02415   0.71453
   D45        1.98642   0.00004  -0.00061   0.00160   0.00104   1.98747
   D46        1.06223   0.00002  -0.00044  -0.00046  -0.00090   1.06133
   D47       -3.09866   0.00004  -0.00019  -0.00036  -0.00056  -3.09921
   D48       -1.04616   0.00005  -0.00037  -0.00023  -0.00060  -1.04676
   D49       -1.03390  -0.00009  -0.00045  -0.00132  -0.00177  -1.03566
   D50        1.08841  -0.00006  -0.00020  -0.00122  -0.00142   1.08698
   D51        3.14090  -0.00005  -0.00038  -0.00109  -0.00147   3.13943
   D52       -3.12596   0.00000  -0.00046  -0.00064  -0.00110  -3.12705
   D53       -1.00366   0.00002  -0.00021  -0.00054  -0.00075  -1.00441
   D54        1.04884   0.00003  -0.00039  -0.00041  -0.00080   1.04804
   D55       -1.08459  -0.00005   0.00171  -0.00091   0.00080  -1.08378
   D56        1.04013  -0.00001   0.00165  -0.00019   0.00147   1.04160
   D57        3.11682  -0.00002   0.00153  -0.00060   0.00094   3.11776
   D58        3.06893  -0.00001   0.00128  -0.00068   0.00060   3.06953
   D59       -1.08953   0.00004   0.00122   0.00004   0.00126  -1.08827
   D60        0.98716   0.00003   0.00110  -0.00037   0.00073   0.98789
   D61        1.03539  -0.00003   0.00136  -0.00087   0.00049   1.03588
   D62       -3.12307   0.00002   0.00130  -0.00015   0.00115  -3.12192
   D63       -1.04638   0.00001   0.00118  -0.00056   0.00062  -1.04576
   D64       -0.88705  -0.00003   0.00146   0.00590   0.00736  -0.87969
   D65        2.21655   0.00000   0.00165   0.00652   0.00817   2.22473
   D66       -3.03309  -0.00003   0.00126   0.00522   0.00648  -3.02661
   D67        0.07051  -0.00001   0.00146   0.00583   0.00729   0.07781
   D68        1.20325  -0.00002   0.00153   0.00604   0.00757   1.21082
   D69       -1.97633   0.00001   0.00173   0.00665   0.00838  -1.96795
   D70        2.96649   0.00006   0.00018   0.00323   0.00340   2.96990
   D71       -0.13496   0.00003  -0.00002   0.00257   0.00255  -0.13241
   D72       -2.98147  -0.00002   0.00035  -0.00234  -0.00199  -2.98347
   D73        0.12147   0.00000   0.00054  -0.00173  -0.00119   0.12028
   D74        0.02773  -0.00011  -0.00216  -0.00450  -0.00666   0.02107
   D75        0.26624  -0.00006   0.00189  -0.00099   0.00092   0.26716
   D76       -1.04870   0.00004  -0.00024   0.00040   0.00015  -1.04856
   D77        1.07441   0.00000  -0.00047   0.00014  -0.00034   1.07407
   D78        3.09834  -0.00003  -0.00067  -0.00011  -0.00079   3.09755
   D79       -3.13619   0.00003  -0.00010   0.00006  -0.00004  -3.13622
   D80       -1.01307   0.00000  -0.00032  -0.00020  -0.00052  -1.01360
   D81        1.01086  -0.00003  -0.00053  -0.00045  -0.00097   1.00988
   D82        1.06069   0.00003  -0.00017   0.00027   0.00010   1.06079
   D83       -3.09938  -0.00001  -0.00039   0.00000  -0.00039  -3.09977
   D84       -1.07545  -0.00003  -0.00060  -0.00025  -0.00084  -1.07629
   D85       -0.05566   0.00002  -0.00110  -0.01254  -0.01363  -0.06929
   D86        3.06674  -0.00003  -0.00180  -0.01291  -0.01470   3.05204
   D87       -2.17635  -0.00002  -0.00086  -0.01246  -0.01332  -2.18967
   D88        0.94605  -0.00006  -0.00157  -0.01283  -0.01439   0.93167
   D89        2.07831   0.00002  -0.00065  -0.01234  -0.01300   2.06531
   D90       -1.08247  -0.00003  -0.00136  -0.01271  -0.01406  -1.09654
   D91        3.12081  -0.00006  -0.00082  -0.00031  -0.00111   3.11970
   D92        0.01600  -0.00005  -0.00072   0.00013  -0.00058   0.01542
   D93       -0.00404  -0.00002  -0.00021   0.00002  -0.00018  -0.00422
   D94       -3.10885  -0.00001  -0.00010   0.00045   0.00035  -3.10851
   D95       -3.12043   0.00005   0.00067   0.00028   0.00095  -3.11948
   D96       -0.00920   0.00004  -0.00047  -0.00008  -0.00056  -0.00976
   D97        0.00664   0.00002   0.00014   0.00001   0.00015   0.00679
   D98        3.11787   0.00001  -0.00100  -0.00036  -0.00136   3.11651
   D99       -0.00005   0.00002   0.00020  -0.00004   0.00015   0.00011
   D100      -2.89526  -0.00002  -0.00365  -0.00232  -0.00599  -2.90126
   D101       3.10796   0.00001   0.00010  -0.00044  -0.00033   3.10762
   D102       0.21274  -0.00003  -0.00375  -0.00273  -0.00648   0.20626
   D103      -0.00703   0.00000  -0.00003  -0.00003  -0.00006  -0.00709
   D104       3.09563  -0.00001  -0.00094   0.00008  -0.00086   3.09476
   D105      -3.11817   0.00000   0.00112   0.00033   0.00145  -3.11672
   D106      -0.01551   0.00000   0.00020   0.00044   0.00064  -0.01487
   D107       0.00433  -0.00001  -0.00010   0.00004  -0.00006   0.00428
   D108       2.89778   0.00007   0.00395   0.00257   0.00651   2.90429
   D109      -3.09849  -0.00001   0.00081  -0.00008   0.00073  -3.09776
   D110      -0.20505   0.00008   0.00486   0.00244   0.00731  -0.19774
   D111      -0.49492   0.00010  -0.00298   0.00362   0.00067  -0.49426
   D112      -2.07037   0.00000  -0.00081   0.00159   0.00081  -2.06956
   D113       1.19359  -0.00002  -0.00441   0.00667   0.00223   1.19582
   D114       2.77303   0.00005  -0.00405   0.00500   0.00095   2.77398
   D115       2.33160   0.00011   0.00283   0.01608   0.01894   2.35054
   D116       2.94013   0.00003  -0.00763   0.00079  -0.00683   2.93330
   D117       1.36468  -0.00007  -0.00547  -0.00124  -0.00669   1.35799
   D118      -1.65454  -0.00009  -0.00907   0.00383  -0.00527  -1.65981
   D119      -0.07510  -0.00002  -0.00871   0.00216  -0.00655  -0.08165
   D120      -0.51653   0.00004  -0.00183   0.01325   0.01144  -0.50509
   D121      -1.05669   0.00002   0.00010   0.00023   0.00034  -1.05635
   D122       3.10104   0.00001  -0.00023   0.00026   0.00004   3.10108
   D123       1.07712   0.00000  -0.00031   0.00017  -0.00014   1.07698
   D124       1.05215   0.00001   0.00010   0.00014   0.00025   1.05240
   D125      -1.07330   0.00000  -0.00022   0.00016  -0.00006  -1.07336
   D126      -3.09721  -0.00001  -0.00031   0.00007  -0.00024  -3.09745
   D127      -3.13804   0.00000   0.00015   0.00009   0.00024  -3.13780
   D128       1.01969  -0.00001  -0.00017   0.00011  -0.00007   1.01963
   D129      -1.00422  -0.00002  -0.00026   0.00002  -0.00024  -1.00447
   D130       0.36835   0.00001  -0.00246   0.00235  -0.00012   0.36823
   D131      -2.76289  -0.00002  -0.00350   0.00123  -0.00229  -2.76518
   D132       2.49120   0.00001  -0.00218   0.00231   0.00013   2.49133
   D133      -0.64005  -0.00002  -0.00322   0.00119  -0.00204  -0.64209
   D134      -1.75759   0.00001  -0.00220   0.00237   0.00017  -1.75742
   D135       1.39435  -0.00002  -0.00324   0.00125  -0.00200   1.39235
   D136      -3.12583  -0.00001  -0.00149   0.00045  -0.00106  -3.12689
   D137       0.01451  -0.00003  -0.00257  -0.00064  -0.00321   0.01130
   D138       0.00685   0.00002  -0.00060   0.00142   0.00081   0.00766
   D139      -3.13600   0.00000  -0.00167   0.00033  -0.00134  -3.13735
   D140       3.12779  -0.00004   0.00119  -0.00042   0.00078   3.12857
   D141      -0.00123   0.00004   0.00051   0.00103   0.00154   0.00030
   D142      -0.00584  -0.00006   0.00039  -0.00128  -0.00089  -0.00673
   D143      -3.13486   0.00002  -0.00029   0.00016  -0.00013  -3.13499
   D144      -0.00539   0.00003   0.00059  -0.00104  -0.00044  -0.00583
   D145       2.95884   0.00001  -0.00051  -0.00049  -0.00099   2.95785
   D146       3.13735   0.00005   0.00157  -0.00005   0.00152   3.13887
   D147      -0.18161   0.00002   0.00047   0.00050   0.00097  -0.18064
   D148       0.00275   0.00008  -0.00004   0.00069   0.00066   0.00340
   D149      -3.11460   0.00006   0.00010   0.00077   0.00087  -3.11373
   D150       3.13176   0.00001   0.00064  -0.00075  -0.00011   3.13165
   D151       0.01441  -0.00001   0.00078  -0.00068   0.00010   0.01452
   D152       0.00156  -0.00007  -0.00034   0.00020  -0.00014   0.00142
   D153      -2.96480  -0.00004   0.00060  -0.00055   0.00004  -2.96475
   D154       3.11908  -0.00005  -0.00047   0.00012  -0.00035   3.11873
   D155       0.15273  -0.00002   0.00047  -0.00063  -0.00017   0.15256
   D156      -1.43778   0.00001  -0.00480  -0.00208  -0.00691  -1.44469
   D157       0.26373  -0.00001  -0.00341   0.00010  -0.00331   0.26042
   D158       2.82984   0.00002   0.01322  -0.02195  -0.00877   2.82107
   D159       1.72980   0.00001  -0.00158  -0.00210  -0.00367   1.72612
   D160      -3.10489  -0.00002  -0.00274  -0.00276  -0.00550  -3.11038
   D161       1.49446  -0.00002  -0.00600  -0.00131  -0.00733   1.48713
   D162      -3.08721  -0.00004  -0.00460   0.00087  -0.00374  -3.09095
   D163      -0.52111  -0.00001   0.01202  -0.02118  -0.00919  -0.53029
   D164      -1.62114  -0.00002  -0.00278  -0.00133  -0.00410  -1.62524
   D165      -0.17265  -0.00006  -0.00394  -0.00200  -0.00592  -0.17856
   D166       1.76519  -0.00008   0.00374  -0.00560  -0.00185   1.76335
   D167      -0.59686   0.00000   0.00118   0.00151   0.00271  -0.59415
   D168       0.05785  -0.00004   0.00183  -0.00776  -0.00590   0.05195
   D169      -2.30419   0.00004  -0.00073  -0.00065  -0.00135  -2.30555
   D170      -2.51554  -0.00007  -0.01437   0.01422  -0.00014  -2.51569
   D171       1.40559   0.00002  -0.01694   0.02133   0.00441   1.41000
   D172      -1.42838  -0.00007   0.00063  -0.00577  -0.00518  -1.43356
   D173       2.49276   0.00002  -0.00193   0.00133  -0.00062   2.49213
   D174      -2.86617  -0.00002   0.00171  -0.00509  -0.00341  -2.86957
   D175       1.05497   0.00006  -0.00086   0.00202   0.00115   1.05612
   D176       1.10522  -0.00008  -0.02327  -0.00129  -0.02454   1.08068
   D177       3.03786  -0.00005   0.00020  -0.00524  -0.00502   3.03284
   D178       1.30094  -0.00001   0.00139  -0.00325  -0.00188   1.29905
   D179      -1.63953  -0.00003   0.00198  -0.00383  -0.00180  -1.64133
   D180      -0.20545  -0.00004   0.00218  -0.00365  -0.00151  -0.20695
   D181       2.09817   0.00001  -0.00324   0.00227  -0.00099   2.09718
   D182      -0.72972   0.00000  -0.00917  -0.01018  -0.01937  -0.74908
   D183      -2.63745   0.00012  -0.00541   0.00426  -0.00119  -2.63864
   D184       0.42684   0.00014  -0.00177  -0.00040  -0.00213   0.42472
   D185      -1.17347   0.00006  -0.00237   0.00100  -0.00136  -1.17482
   D186      -2.42977   0.00009  -0.00067   0.00963   0.00892  -2.42085
   D187       0.08029   0.00011   0.00260   0.00347   0.00609   0.08637
   D188       2.10171  -0.00006  -0.00211  -0.00623  -0.00834   2.09337
   D189      -0.37332   0.00000  -0.00406  -0.00072  -0.00476  -0.37808
   D190       0.89819  -0.00007  -0.00166   0.00399   0.00235   0.90054
   D191      -2.26164  -0.00005  -0.00249   0.00367   0.00119  -2.26045
   D192       0.07903   0.00002   0.00021  -0.00159  -0.00137   0.07766
   D193      -3.09134   0.00004   0.00013   0.00061   0.00074  -3.09060
   D194      -3.04507   0.00001   0.00101  -0.00129  -0.00026  -3.04534
   D195       0.06774   0.00003   0.00093   0.00091   0.00185   0.06959
   D196      -1.15466  -0.00001   0.00201  -0.00129   0.00072  -1.15394
   D197       0.89104  -0.00002   0.00197  -0.00133   0.00064   0.89168
   D198       3.01713   0.00002   0.00214  -0.00114   0.00100   3.01813
   D199       1.96964   0.00000   0.00123  -0.00161  -0.00037   1.96927
   D200      -2.26784  -0.00001   0.00119  -0.00164  -0.00045  -2.26830
   D201      -0.14175   0.00003   0.00136  -0.00145  -0.00009  -0.14184
   D202      -1.44576   0.00005   0.00235  -0.00178   0.00057  -1.44520
   D203       0.57468   0.00003   0.00258  -0.00210   0.00048   0.57516
   D204       2.65353   0.00005   0.00242  -0.00189   0.00053   2.65406
   D205       1.72456   0.00003   0.00243  -0.00398  -0.00154   1.72302
   D206      -2.53819   0.00001   0.00267  -0.00430  -0.00163  -2.53981
   D207      -0.45934   0.00003   0.00251  -0.00409  -0.00158  -0.46092
   D208       0.70561  -0.00003  -0.00289   0.00072  -0.00218   0.70343
   D209      -2.50412   0.00009  -0.00225   0.00117  -0.00108  -2.50520
   D210      -1.36289  -0.00009  -0.00309   0.00089  -0.00219  -1.36509
   D211       1.71056   0.00003  -0.00245   0.00135  -0.00110   1.70947
   D212       2.86330  -0.00001  -0.00318   0.00113  -0.00204   2.86125
   D213      -0.34643   0.00011  -0.00254   0.00159  -0.00095  -0.34738
   D214       0.98725   0.00004   0.00252   0.00162   0.00414   0.99139
   D215      -2.08148  -0.00005   0.00187   0.00116   0.00303  -2.07846
   D216      -0.00730   0.00004  -0.00118   0.00291   0.00173  -0.00557
   D217      -2.92066  -0.00005   0.00018  -0.00056  -0.00038  -2.92104
   D218       3.06394   0.00014  -0.00055   0.00337   0.00282   3.06676
   D219       0.15057   0.00005   0.00081  -0.00010   0.00071   0.15128
   D220      -2.48026   0.00001   0.00760  -0.00241   0.00520  -2.47506
   D221      -0.39355   0.00007   0.00819  -0.00231   0.00588  -0.38768
   D222       1.68514   0.00016   0.00822  -0.00165   0.00657   1.69171
   D223       0.88676  -0.00010   0.00893  -0.00583   0.00310   0.88986
   D224       2.97347  -0.00003   0.00951  -0.00574   0.00378   2.97724
   D225      -1.23103   0.00006   0.00954  -0.00507   0.00447  -1.22656
         Item               Value     Threshold  Converged?
 Maximum Force            0.000564     0.000450     NO 
 RMS     Force            0.000083     0.000300     YES
 Maximum Displacement     0.078036     0.001800     NO 
 RMS     Displacement     0.010839     0.001200     NO 
 Predicted change in Energy=-1.535118D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.046991    2.570276    3.558700
      2          6           0       -3.304879    1.212566    3.655900
      3          6           0       -2.062256    1.136907    2.812465
      4          6           0       -1.684491    0.279259    1.790241
      5          7           0       -0.983049    2.023950    2.958827
      6          6           0       -0.011642    1.686590    2.048702
      7          7           0       -0.404757    0.630214    1.322257
      8          6           0       -5.219469    0.930742    0.149856
      9          6           0       -5.881869   -0.151345   -0.731459
     10          6           0       -5.253373   -1.553763   -0.539490
     11          6           0       -3.780776   -1.560421   -0.941558
     12          8           0       -3.411126   -1.091148   -2.067022
     13          8           0       -2.911905   -2.036928   -0.043798
     14          6           0       -2.234473    4.242251   -2.988323
     15          6           0       -0.970998    3.832791   -3.773435
     16          6           0       -0.168212    2.759079   -3.086905
     17          6           0       -0.299043    2.118425   -1.864290
     18          7           0        0.960976    2.166640   -3.679066
     19          6           0        1.459589    1.209512   -2.829708
     20          7           0        0.717064    1.158355   -1.715642
     21          6           0        4.719731    3.966338    1.479373
     22          6           0        5.176510    2.587852    2.005369
     23          6           0        4.200714    1.494852    1.660817
     24          6           0        3.218308    1.404439    0.684973
     25          7           0        4.124971    0.276765    2.354904
     26          6           0        3.123413   -0.488803    1.801669
     27          7           0        2.556834    0.173216    0.787328
     28         30           0        0.763761   -0.402717   -0.228423
     29          1           0       -4.956967    2.549701    4.169833
     30          1           0       -4.334692    2.785091    2.523826
     31          1           0       -3.427577    3.402400    3.921156
     32          1           0       -3.974933    0.407709    3.335570
     33          1           0       -3.057630    1.009429    4.708760
     34          1           0       -2.241359   -0.540499    1.359044
     35          1           0       -0.937808    2.791565    3.616184
     36          1           0        0.928291    2.204798    1.954044
     37          1           0       -4.154277    1.033896   -0.093343
     38          1           0       -5.304902    0.673690    1.215296
     39          1           0       -5.699719    1.906562   -0.001812
     40          1           0       -6.955516   -0.207960   -0.502398
     41          1           0       -5.785955    0.127881   -1.788022
     42          1           0       -5.341826   -1.888529    0.500358
     43          1           0       -5.785941   -2.275626   -1.174867
     44          1           0       -2.906771    3.387367   -2.850260
     45          1           0       -2.782343    5.019289   -3.532836
     46          1           0       -1.976441    4.643212   -1.999972
     47          1           0       -1.270130    3.477772   -4.771061
     48          1           0       -0.339077    4.719547   -3.934775
     49          1           0       -1.055182    2.254858   -1.109743
     50          1           0        1.327347    2.389860   -4.595846
     51          1           0        2.297971    0.566750   -3.041099
     52          1           0        4.623227    3.962977    0.386882
     53          1           0        3.753233    4.254243    1.909792
     54          1           0        5.453377    4.735947    1.743941
     55          1           0        5.302856    2.638600    3.096815
     56          1           0        6.167248    2.352025    1.589619
     57          1           0        2.943616    2.125031   -0.067318
     58          1           0        4.704137    0.011046    3.141465
     59          1           0        2.820852   -1.464443    2.145220
     60          8           0       -0.799167   -1.373358   -1.083537
     61          1           0       -1.201083   -1.040276   -1.916296
     62          1           0       -1.682500   -1.753180   -0.536885
     63          6           0        2.955664   -2.535965   -1.573786
     64          8           0        2.267477   -1.477736   -1.696846
     65          7           0        2.400970   -3.723811   -1.187687
     66          6           0        0.961877   -3.901881   -0.976054
     67          6           0        0.487533   -3.442094    0.410169
     68          8           0        0.958198   -2.374583    0.928331
     69          7           0       -0.488442   -4.175323    0.985721
     70          1           0        0.414587   -3.258941   -1.677327
     71          1           0        0.700665   -4.947947   -1.167573
     72          1           0        3.008827   -4.524499   -1.063482
     73          1           0       -0.852438   -4.974180    0.476486
     74          6           0       -1.247911   -3.738308    2.173682
     75          1           0       -1.431956   -4.595971    2.828578
     76          1           0       -0.657993   -2.991241    2.708629
     77          1           0       -2.194806   -3.290096    1.850611
     78          6           0        4.443213   -2.543458   -1.876270
     79          1           0        4.593408   -2.362600   -2.947199
     80          1           0        4.922931   -1.722964   -1.333166
     81          1           0        4.933620   -3.485825   -1.611489
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968399      0.0727110      0.0660341
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.4795610395 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33678 LenP2D=  122054.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999998   -0.001476    0.000992   -0.000179 Ang=  -0.20 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97577366     A.U. after   10 cycles
            NFock= 10  Conv=0.51D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33678 LenP2D=  122054.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000095774    0.000071067   -0.000016340
      3        6          -0.000058449   -0.000112976    0.000091468
      4        6           0.000002767   -0.000098506   -0.000196157
      5        7           0.000197045    0.000063611   -0.000002652
      6        6          -0.000225989   -0.000030660   -0.000084167
      7        7           0.000072178    0.000421291    0.000153639
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000002454   -0.000142511   -0.000006582
     10        6           0.000112766    0.000019787   -0.000040026
     11        6           0.000019253   -0.000071227   -0.000083275
     12        8          -0.000028630   -0.000235815   -0.000111345
     13        8          -0.000254368    0.000047726    0.000153677
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000068186    0.000079993   -0.000045325
     16        6          -0.000122898   -0.000094661   -0.000029391
     17        6          -0.000167015   -0.000011738    0.000044631
     18        7           0.000228263    0.000005158    0.000032533
     19        6          -0.000196155    0.000014548   -0.000002143
     20        7           0.000258854    0.000233333    0.000007701
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000024753   -0.000062290   -0.000002371
     23        6           0.000083414   -0.000113953   -0.000035797
     24        6           0.000061182    0.000018804    0.000070053
     25        7          -0.000179074    0.000114797   -0.000059036
     26        6           0.000152006   -0.000059357    0.000041613
     27        7          -0.000312592    0.000104724   -0.000070484
     28       30           0.000360640   -0.000700457    0.000165195
     29        1          -0.000032685   -0.000026585   -0.000037113
     30        1           0.000072553   -0.000029245   -0.000117987
     31        1           0.000005217   -0.000033251    0.000034706
     32        1           0.000030716    0.000050048   -0.000060924
     33        1          -0.000038261    0.000039929    0.000068379
     34        1          -0.000033230    0.000019778    0.000006340
     35        1          -0.000033552    0.000020436    0.000019291
     36        1           0.000071359   -0.000037837   -0.000052032
     37        1           0.000060543   -0.000065178    0.000013860
     38        1           0.000087283    0.000002999    0.000022055
     39        1           0.000110546   -0.000101476    0.000008588
     40        1           0.000011602   -0.000013091    0.000074602
     41        1          -0.000042315    0.000035937    0.000009609
     42        1           0.000035529    0.000061046    0.000020088
     43        1          -0.000033841    0.000005966    0.000015907
     44        1          -0.000024811    0.000042993    0.000010552
     45        1          -0.000045449   -0.000012337   -0.000001436
     46        1           0.000020902    0.000020130   -0.000033706
     47        1          -0.000044233    0.000011767   -0.000042745
     48        1           0.000044182   -0.000022688    0.000018703
     49        1           0.000019424   -0.000013409    0.000022305
     50        1          -0.000016626   -0.000039884    0.000020717
     51        1           0.000020232    0.000017289   -0.000014862
     52        1           0.000017291   -0.000008875    0.000006587
     53        1           0.000083728   -0.000017751    0.000040188
     54        1           0.000049122   -0.000018154    0.000004247
     55        1           0.000000581    0.000002673    0.000002683
     56        1          -0.000009077    0.000001978    0.000014652
     57        1           0.000009068    0.000004150    0.000013928
     58        1           0.000019861   -0.000036098    0.000026151
     59        1           0.000007170   -0.000027491    0.000030336
     60        8          -0.000222819    0.000033065   -0.000136227
     61        1           0.000334279    0.000336330    0.000149008
     62        1           0.000231628    0.000015127    0.000007662
     63        6          -0.000113813   -0.000206233   -0.000143468
     64        8          -0.000252385    0.000303011   -0.000086542
     65        7           0.000062873    0.000178316   -0.000003572
     66        6          -0.000129034   -0.000087381   -0.000018750
     67        6           0.000106752    0.000058390   -0.000027791
     68        8          -0.000077190   -0.000154645    0.000067055
     69        7           0.000146344   -0.000303155   -0.000004446
     70        1           0.000022375    0.000021837    0.000014084
     71        1           0.000021487    0.000047270    0.000025207
     72        1           0.000002094    0.000007483   -0.000013550
     73        1          -0.000051030    0.000061914    0.000037875
     74        6          -0.000103000    0.000051489    0.000000356
     75        1          -0.000011324    0.000050803    0.000033249
     76        1           0.000003710    0.000019846   -0.000017840
     77        1           0.000042870    0.000032700   -0.000084489
     78        6          -0.000049978   -0.000035403    0.000100602
     79        1           0.000047207   -0.000000617   -0.000039526
     80        1           0.000003334    0.000023833   -0.000018113
     81        1           0.000001616    0.000005732   -0.000007235
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000700457 RMS     0.000107188

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000342652 RMS     0.000059277
 Search for a local minimum.
 Step number  35 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35
 DE= -2.69D-05 DEPred=-1.54D-05 R= 1.76D+00
 TightC=F SS=  1.41D+00  RLast= 7.96D-02 DXNew= 5.0454D+00 2.3877D-01
 Trust test= 1.76D+00 RLast= 7.96D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00082   0.00112   0.00189   0.00230   0.00230
     Eigenvalues ---    0.00232   0.00239   0.00293   0.00386   0.00505
     Eigenvalues ---    0.00534   0.00581   0.00630   0.00673   0.00723
     Eigenvalues ---    0.00786   0.00806   0.00867   0.00881   0.00998
     Eigenvalues ---    0.01150   0.01232   0.01284   0.01360   0.01457
     Eigenvalues ---    0.01516   0.01595   0.01708   0.01750   0.01782
     Eigenvalues ---    0.01808   0.01846   0.01899   0.01922   0.01937
     Eigenvalues ---    0.02007   0.02063   0.02152   0.02234   0.02261
     Eigenvalues ---    0.02283   0.02378   0.02536   0.02609   0.02780
     Eigenvalues ---    0.03059   0.03227   0.03643   0.03912   0.03949
     Eigenvalues ---    0.04075   0.04122   0.04254   0.04336   0.04444
     Eigenvalues ---    0.04662   0.04881   0.04992   0.05245   0.05322
     Eigenvalues ---    0.05366   0.05382   0.05391   0.05426   0.05431
     Eigenvalues ---    0.05510   0.05512   0.05522   0.05529   0.05541
     Eigenvalues ---    0.05778   0.06117   0.06488   0.06873   0.06950
     Eigenvalues ---    0.07371   0.07478   0.07652   0.07763   0.08303
     Eigenvalues ---    0.08551   0.08752   0.09239   0.09324   0.09469
     Eigenvalues ---    0.09677   0.10021   0.10351   0.10758   0.10998
     Eigenvalues ---    0.11992   0.12282   0.12588   0.12910   0.12937
     Eigenvalues ---    0.13021   0.13469   0.14320   0.14604   0.15100
     Eigenvalues ---    0.15536   0.15780   0.15883   0.15956   0.15970
     Eigenvalues ---    0.15979   0.15990   0.15991   0.15996   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16000   0.16002   0.16004
     Eigenvalues ---    0.16008   0.16010   0.16012   0.16017   0.16023
     Eigenvalues ---    0.16040   0.16047   0.16073   0.16091   0.16108
     Eigenvalues ---    0.16195   0.16235   0.16326   0.16399   0.16424
     Eigenvalues ---    0.17253   0.18419   0.20428   0.20691   0.21155
     Eigenvalues ---    0.21459   0.22098   0.22336   0.22451   0.22828
     Eigenvalues ---    0.22970   0.23044   0.23162   0.23613   0.23871
     Eigenvalues ---    0.24039   0.24225   0.24417   0.24726   0.25112
     Eigenvalues ---    0.25217   0.26023   0.27302   0.27683   0.28149
     Eigenvalues ---    0.28221   0.28418   0.28574   0.29288   0.30191
     Eigenvalues ---    0.30719   0.30965   0.31571   0.31622   0.31924
     Eigenvalues ---    0.33591   0.33618   0.33631   0.33664   0.33671
     Eigenvalues ---    0.33786   0.33818   0.33846   0.33898   0.33916
     Eigenvalues ---    0.33935   0.33953   0.33985   0.34000   0.34009
     Eigenvalues ---    0.34030   0.34043   0.34080   0.34095   0.34106
     Eigenvalues ---    0.34133   0.34175   0.34181   0.34194   0.34210
     Eigenvalues ---    0.34289   0.34305   0.34541   0.34631   0.35357
     Eigenvalues ---    0.35706   0.35764   0.36163   0.36237   0.36341
     Eigenvalues ---    0.36520   0.36547   0.38288   0.39088   0.39531
     Eigenvalues ---    0.40025   0.42316   0.42664   0.42804   0.43818
     Eigenvalues ---    0.45283   0.45381   0.45441   0.45508   0.45583
     Eigenvalues ---    0.45603   0.45644   0.46508   0.48992   0.49298
     Eigenvalues ---    0.49614   0.49809   0.50257   0.52571   0.54526
     Eigenvalues ---    0.54911   0.55098   0.57239   0.66747   0.73188
     Eigenvalues ---    0.766301000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    35   34   33   32   31
 RFO step:  Lambda=-4.47986984D-06.
 DidBck=F Rises=F RFO-DIIS coefs:    2.33767   -1.86917    0.79910   -0.14377   -0.12383
 Iteration  1 RMS(Cart)=  0.01375182 RMS(Int)=  0.00012080
 Iteration  2 RMS(Cart)=  0.00023840 RMS(Int)=  0.00002435
 Iteration  3 RMS(Cart)=  0.00000010 RMS(Int)=  0.00002435
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00003   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00005   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498  -0.00011   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00025   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00026   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00011   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00011   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00008   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00007   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00019   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00011   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00003   0.00000   0.00000   0.00000   4.09468
    R1        2.92972   0.00015  -0.00029   0.00042   0.00013   2.92985
    R2        2.07178  -0.00005  -0.00031   0.00006  -0.00021   2.07157
    R3        2.06999   0.00014  -0.00007   0.00007  -0.00003   2.06996
    R4        2.07653   0.00004  -0.00020  -0.00002  -0.00022   2.07631
    R5        2.84165  -0.00003  -0.00032   0.00034  -0.00001   2.84164
    R6        2.06955   0.00008  -0.00034   0.00007  -0.00028   2.06928
    R7        2.07948   0.00009  -0.00044   0.00012  -0.00033   2.07916
    R8        2.62067   0.00005  -0.00018   0.00028   0.00008   2.62075
    R9        2.65435  -0.00008   0.00001  -0.00015  -0.00016   2.65419
   R10        2.65901  -0.00015  -0.00013   0.00003  -0.00010   2.65891
   R11        2.04234   0.00000   0.00016  -0.00002   0.00014   2.04248
   R12        2.59504   0.00010  -0.00004   0.00000  -0.00005   2.59498
   R13        1.91170   0.00000  -0.00001  -0.00001  -0.00002   1.91169
   R14        2.53406  -0.00004   0.00018  -0.00002   0.00017   2.53422
   R15        2.03615  -0.00002  -0.00001   0.00001   0.00000   2.03615
   R16        4.15611  -0.00012  -0.00436   0.00041  -0.00398   4.15213
   R17        2.91925  -0.00011   0.00007  -0.00033  -0.00025   2.91900
   R18        2.07390  -0.00003  -0.00013  -0.00002  -0.00015   2.07375
   R19        2.07744   0.00001  -0.00011   0.00005  -0.00006   2.07738
   R20        2.07515   0.00015   0.00023   0.00015   0.00038   2.07553
   R21        2.92672   0.00000  -0.00028  -0.00029  -0.00058   2.92614
   R22        2.07732   0.00002   0.00006  -0.00002   0.00003   2.07735
   R23        2.07310  -0.00003  -0.00007  -0.00003  -0.00011   2.07300
   R24        2.88469   0.00010   0.00065  -0.00029   0.00037   2.88506
   R25        2.07110   0.00005   0.00014   0.00000   0.00015   2.07125
   R26        2.07734  -0.00002   0.00003   0.00008   0.00011   2.07745
   R27        2.40785   0.00011   0.00023  -0.00006   0.00017   2.40801
   R28        2.52685   0.00028  -0.00013   0.00012  -0.00003   2.52682
   R29        4.18718  -0.00018  -0.01460  -0.00772  -0.02231   4.16487
   R30        2.55992  -0.00005  -0.00128  -0.00011  -0.00139   2.55853
   R31        2.91559   0.00007   0.00001   0.00040   0.00046   2.91605
   R32        2.07171   0.00003   0.00003  -0.00004  -0.00003   2.07168
   R33        2.07047  -0.00003  -0.00003  -0.00001  -0.00005   2.07043
   R34        2.07370  -0.00004  -0.00011  -0.00003  -0.00015   2.07355
   R35        2.84631  -0.00002  -0.00004   0.00016   0.00012   2.84643
   R36        2.07937   0.00003   0.00011  -0.00003   0.00008   2.07945
   R37        2.08015   0.00001   0.00000  -0.00001  -0.00002   2.08013
   R38        2.62008   0.00004   0.00027  -0.00002   0.00023   2.62030
   R39        2.65687  -0.00015  -0.00043  -0.00001  -0.00043   2.65643
   R40        2.65660  -0.00008  -0.00023  -0.00005  -0.00029   2.65631
   R41        2.03504   0.00003   0.00007   0.00005   0.00012   2.03516
   R42        2.59527   0.00006   0.00004   0.00009   0.00015   2.59543
   R43        1.91277   0.00001   0.00002   0.00000   0.00001   1.91279
   R44        2.53188   0.00006   0.00005   0.00004   0.00009   2.53198
   R45        2.03592  -0.00001  -0.00003  -0.00001  -0.00003   2.03589
   R46        4.07539  -0.00015  -0.00236  -0.00103  -0.00340   4.07200
   R47        2.91872  -0.00008  -0.00007  -0.00021  -0.00030   2.91842
   R48        2.07256   0.00000  -0.00008   0.00004  -0.00003   2.07253
   R49        2.07205   0.00009   0.00025   0.00002   0.00026   2.07231
   R50        2.07055  -0.00001  -0.00009   0.00003  -0.00007   2.07048
   R51        2.84436   0.00002  -0.00012   0.00008  -0.00004   2.84432
   R52        2.07852   0.00000  -0.00004   0.00001  -0.00003   2.07849
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62227   0.00000  -0.00012   0.00010   0.00000   2.62228
   R55        2.65318   0.00007   0.00008   0.00004   0.00011   2.65330
   R56        2.64827   0.00002  -0.00029   0.00017  -0.00011   2.64816
   R57        2.03587  -0.00001  -0.00007   0.00001  -0.00006   2.03581
   R58        2.60157   0.00003   0.00009  -0.00009  -0.00002   2.60156
   R59        1.91294   0.00000  -0.00001   0.00000  -0.00001   1.91293
   R60        2.52699  -0.00004   0.00014  -0.00006   0.00008   2.52707
   R61        2.03656  -0.00002  -0.00002  -0.00004  -0.00006   2.03651
   R62        4.04355   0.00016   0.00035   0.00088   0.00123   4.04479
   R63        3.83391   0.00022  -0.00112   0.00020  -0.00092   3.83299
   R64        4.46115   0.00034   0.01509   0.00732   0.02242   4.48357
   R65        4.33573  -0.00011   0.00142  -0.00207  -0.00063   4.33510
   R66        1.85729  -0.00005   0.00004   0.00029   0.00033   1.85763
   R67        2.09015   0.00010   0.00157   0.00067   0.00225   2.09240
   R68        2.39675  -0.00002  -0.00009  -0.00010  -0.00019   2.39655
   R69        2.58260   0.00013  -0.00019   0.00036   0.00014   2.58274
   R70        2.86862  -0.00001   0.00050  -0.00002   0.00048   2.86910
   R71        2.76926  -0.00002  -0.00034  -0.00015  -0.00051   2.76875
   R72        1.91415   0.00000   0.00000  -0.00004  -0.00005   1.91411
   R73        2.90183   0.00005   0.00016   0.00011   0.00026   2.90209
   R74        2.07413   0.00000   0.00009   0.00003   0.00012   2.07425
   R75        2.06937   0.00003   0.00011   0.00000   0.00011   2.06948
   R76        2.41234   0.00007  -0.00013   0.00001  -0.00011   2.41223
   R77        2.55037  -0.00007  -0.00003  -0.00012  -0.00014   2.55022
   R78        1.91785   0.00001   0.00003  -0.00001   0.00002   1.91787
   R79        2.78952  -0.00008  -0.00039  -0.00023  -0.00062   2.78890
   R80        2.06866   0.00006   0.00029  -0.00008   0.00020   2.06887
   R81        2.06342  -0.00003  -0.00026   0.00015  -0.00011   2.06331
   R82        2.07171   0.00005   0.00020  -0.00003   0.00017   2.07189
   R83        2.07195   0.00004   0.00009  -0.00001   0.00008   2.07203
   R84        2.06863  -0.00003  -0.00013  -0.00001  -0.00013   2.06849
   R85        2.06894   0.00000  -0.00004   0.00002  -0.00002   2.06892
    A1        1.92402   0.00000   0.00012  -0.00004   0.00006   1.92408
    A2        1.93553   0.00000  -0.00008  -0.00003  -0.00009   1.93543
    A3        1.95268   0.00003   0.00019   0.00002   0.00020   1.95288
    A4        1.88842  -0.00001  -0.00012  -0.00009  -0.00022   1.88820
    A5        1.87362  -0.00002  -0.00034   0.00009  -0.00026   1.87336
    A6        1.88722   0.00000   0.00021   0.00005   0.00029   1.88751
    A7        1.98718  -0.00010  -0.00055   0.00035  -0.00028   1.98690
    A8        1.90964   0.00003  -0.00010   0.00004  -0.00004   1.90960
    A9        1.90626   0.00004   0.00020  -0.00030  -0.00006   1.90620
   A10        1.88027   0.00002  -0.00036   0.00018  -0.00016   1.88011
   A11        1.91952   0.00003   0.00056  -0.00019   0.00039   1.91991
   A12        1.85632  -0.00001   0.00029  -0.00011   0.00017   1.85649
   A13        2.30454  -0.00003  -0.00085   0.00054  -0.00030   2.30424
   A14        2.14682   0.00001   0.00069  -0.00038   0.00028   2.14710
   A15        1.83182   0.00002   0.00017  -0.00016   0.00003   1.83185
   A16        1.91628  -0.00004  -0.00017   0.00000  -0.00018   1.91610
   A17        2.24314   0.00003   0.00032   0.00027   0.00058   2.24372
   A18        2.12364   0.00000  -0.00010  -0.00026  -0.00036   2.12328
   A19        1.89579  -0.00001   0.00000   0.00022   0.00021   1.89600
   A20        2.19107   0.00001   0.00041  -0.00016   0.00026   2.19133
   A21        2.19622   0.00000  -0.00043  -0.00005  -0.00048   2.19574
   A22        1.92324  -0.00007  -0.00022  -0.00010  -0.00031   1.92293
   A23        2.16175   0.00004   0.00009   0.00002   0.00011   2.16186
   A24        2.19816   0.00003   0.00014   0.00008   0.00021   2.19837
   A25        1.85765   0.00009   0.00022   0.00004   0.00025   1.85790
   A26        2.21502   0.00000   0.00434   0.00023   0.00456   2.21958
   A27        2.20954  -0.00009  -0.00404  -0.00021  -0.00433   2.20521
   A28        1.93435   0.00010   0.00015   0.00040   0.00054   1.93490
   A29        1.93457  -0.00002  -0.00005   0.00000  -0.00005   1.93452
   A30        1.93492  -0.00004  -0.00031  -0.00002  -0.00034   1.93459
   A31        1.88828   0.00002   0.00084   0.00018   0.00102   1.88930
   A32        1.88635  -0.00004  -0.00011  -0.00031  -0.00042   1.88594
   A33        1.88352  -0.00001  -0.00051  -0.00026  -0.00077   1.88275
   A34        1.97095   0.00004   0.00027  -0.00046  -0.00020   1.97076
   A35        1.91346  -0.00007  -0.00022   0.00002  -0.00020   1.91326
   A36        1.91100   0.00003  -0.00015   0.00008  -0.00006   1.91094
   A37        1.90063   0.00003   0.00024  -0.00002   0.00022   1.90085
   A38        1.89060  -0.00005  -0.00034   0.00021  -0.00012   1.89047
   A39        1.87464   0.00003   0.00019   0.00020   0.00039   1.87503
   A40        1.94204  -0.00009   0.00042  -0.00040   0.00002   1.94206
   A41        1.94061   0.00001   0.00054   0.00030   0.00083   1.94144
   A42        1.90327   0.00005   0.00033   0.00044   0.00078   1.90404
   A43        1.90331   0.00007   0.00018  -0.00019  -0.00001   1.90330
   A44        1.88836  -0.00001  -0.00057  -0.00005  -0.00062   1.88774
   A45        1.88463  -0.00003  -0.00098  -0.00009  -0.00107   1.88356
   A46        2.10703  -0.00012  -0.00083   0.00009  -0.00072   2.10631
   A47        2.03931   0.00007   0.00049  -0.00014   0.00034   2.03965
   A48        2.13622   0.00005   0.00038   0.00007   0.00043   2.13664
   A49        1.81083  -0.00011  -0.00010   0.00049   0.00036   1.81118
   A50        1.84490  -0.00005   0.00047  -0.00045   0.00001   1.84491
   A51        1.93835  -0.00003  -0.00039   0.00007  -0.00032   1.93802
   A52        1.92284  -0.00004  -0.00036   0.00004  -0.00033   1.92250
   A53        1.94199   0.00003   0.00052  -0.00010   0.00041   1.94240
   A54        1.88491   0.00004   0.00065   0.00020   0.00086   1.88577
   A55        1.89199  -0.00001  -0.00015  -0.00016  -0.00029   1.89169
   A56        1.88184   0.00000  -0.00025  -0.00006  -0.00030   1.88154
   A57        1.97547   0.00007   0.00041   0.00034   0.00074   1.97620
   A58        1.90113   0.00002  -0.00014   0.00014   0.00000   1.90113
   A59        1.90806  -0.00006  -0.00009  -0.00028  -0.00036   1.90770
   A60        1.90513  -0.00006  -0.00054  -0.00016  -0.00069   1.90444
   A61        1.91251   0.00002   0.00063  -0.00001   0.00062   1.91313
   A62        1.85781   0.00001  -0.00031  -0.00006  -0.00037   1.85744
   A63        2.31996   0.00006   0.00007   0.00024   0.00027   2.32023
   A64        2.13705  -0.00007  -0.00005  -0.00018  -0.00019   2.13686
   A65        1.82604   0.00002  -0.00002  -0.00007  -0.00010   1.82594
   A66        1.91835   0.00001  -0.00016   0.00002  -0.00012   1.91823
   A67        2.24666  -0.00002  -0.00009  -0.00007  -0.00018   2.24648
   A68        2.11758   0.00001   0.00024   0.00005   0.00028   2.11785
   A69        1.90158   0.00003   0.00025   0.00013   0.00038   1.90195
   A70        2.18861  -0.00002   0.00003  -0.00009  -0.00006   2.18855
   A71        2.19252  -0.00001  -0.00032  -0.00001  -0.00033   2.19219
   A72        1.91734  -0.00005  -0.00030  -0.00018  -0.00049   1.91685
   A73        2.18581   0.00002   0.00043   0.00023   0.00066   2.18647
   A74        2.17930   0.00003  -0.00014  -0.00007  -0.00021   2.17909
   A75        1.86144   0.00000   0.00024   0.00010   0.00034   1.86178
   A76        2.19310   0.00010   0.00186   0.00081   0.00256   2.19566
   A77        2.20069  -0.00009  -0.00057  -0.00034  -0.00085   2.19984
   A78        1.94177   0.00001  -0.00007   0.00011   0.00004   1.94181
   A79        1.94051   0.00002   0.00029  -0.00012   0.00018   1.94069
   A80        1.92478   0.00006   0.00024   0.00020   0.00044   1.92522
   A81        1.89048  -0.00002  -0.00022  -0.00008  -0.00031   1.89018
   A82        1.87716  -0.00003   0.00003  -0.00006  -0.00003   1.87713
   A83        1.88702  -0.00005  -0.00030  -0.00006  -0.00035   1.88667
   A84        1.95888  -0.00004  -0.00041   0.00008  -0.00030   1.95858
   A85        1.90787   0.00000   0.00021  -0.00004   0.00015   1.90803
   A86        1.90603   0.00002   0.00012   0.00001   0.00014   1.90617
   A87        1.91253   0.00001   0.00029  -0.00019   0.00010   1.91264
   A88        1.91952   0.00002  -0.00020   0.00017  -0.00004   1.91948
   A89        1.85613  -0.00001   0.00001  -0.00004  -0.00003   1.85610
   A90        2.30132   0.00006  -0.00003   0.00026   0.00025   2.30158
   A91        2.15533  -0.00004   0.00012  -0.00032  -0.00024   2.15509
   A92        1.82651  -0.00002  -0.00007   0.00006  -0.00001   1.82650
   A93        1.91776   0.00002   0.00011  -0.00006   0.00004   1.91780
   A94        2.24977  -0.00001   0.00011   0.00001   0.00013   2.24990
   A95        2.11565  -0.00001  -0.00023   0.00005  -0.00018   2.11547
   A96        1.89973  -0.00003   0.00004  -0.00009  -0.00005   1.89969
   A97        2.19075  -0.00002  -0.00024  -0.00001  -0.00025   2.19050
   A98        2.19262   0.00005   0.00019   0.00009   0.00028   2.19289
   A99        1.91534   0.00003  -0.00018   0.00019   0.00002   1.91536
   A100       2.18900  -0.00003   0.00001  -0.00009  -0.00008   2.18891
   A101       2.17857   0.00001   0.00016  -0.00007   0.00009   2.17866
   A102       1.86540  -0.00001   0.00009  -0.00008   0.00000   1.86540
   A103       2.21097  -0.00009   0.00156  -0.00037   0.00125   2.21222
   A104       2.19184   0.00009  -0.00163   0.00008  -0.00161   2.19023
   A105       1.70596  -0.00002   0.00401   0.00087   0.00485   1.71081
   A106       1.55491   0.00010   0.00085   0.00079   0.00174   1.55665
   A107       1.68361  -0.00010   0.00234   0.00061   0.00295   1.68656
   A108       3.00634   0.00003  -0.00169  -0.00002  -0.00174   3.00460
   A109       1.66412   0.00002  -0.00073  -0.00004  -0.00078   1.66335
   A110       1.72205   0.00001  -0.00412  -0.00026  -0.00450   1.71754
   A111       1.60978   0.00000   0.00340   0.00020   0.00359   1.61336
   A112       1.48516   0.00002  -0.00168   0.00019  -0.00145   1.48371
   A113       2.90280   0.00000  -0.00178  -0.00062  -0.00247   2.90033
   A114       2.91484  -0.00001  -0.00143  -0.00081  -0.00238   2.91246
   A115       1.45461  -0.00007  -0.00202  -0.00056  -0.00263   1.45198
   A116       1.49169  -0.00002  -0.00051  -0.00051  -0.00108   1.49061
   A117       1.58146   0.00007  -0.00173  -0.00107  -0.00286   1.57860
   A118       1.43700   0.00001   0.00009   0.00015   0.00036   1.43736
   A119       1.43867  -0.00002  -0.00204  -0.00112  -0.00320   1.43547
   A120       2.10600   0.00002  -0.00063   0.00076   0.00006   2.10606
   A121       2.17878   0.00007  -0.00110  -0.00111  -0.00225   2.17653
   A122       1.78089  -0.00011  -0.00260  -0.00184  -0.00447   1.77643
   A123       2.04624   0.00026   0.00612   0.00293   0.00904   2.05529
   A124       2.92492  -0.00004  -0.00464  -0.00093  -0.00554   2.91938
   A125       2.13221  -0.00013  -0.00003  -0.00011  -0.00014   2.13207
   A126       2.11356   0.00004  -0.00004   0.00013   0.00008   2.11364
   A127       2.03727   0.00009   0.00006  -0.00001   0.00004   2.03731
   A128       2.29858   0.00013  -0.00283   0.00013  -0.00267   2.29591
   A129       2.14718  -0.00004  -0.00029   0.00009  -0.00021   2.14698
   A130       2.06931   0.00003   0.00005   0.00005   0.00011   2.06942
   A131       2.06639   0.00002   0.00031  -0.00016   0.00015   2.06654
   A132       1.97941   0.00013   0.00015   0.00023   0.00036   1.97977
   A133       1.90310   0.00001  -0.00002  -0.00004  -0.00005   1.90305
   A134       1.90188  -0.00003   0.00025   0.00000   0.00025   1.90213
   A135       1.82075  -0.00006  -0.00026   0.00012  -0.00014   1.82060
   A136       1.95004  -0.00006  -0.00015  -0.00028  -0.00042   1.94963
   A137       1.90592   0.00001   0.00001  -0.00003  -0.00002   1.90589
   A138       2.09777   0.00004  -0.00004   0.00031   0.00029   2.09807
   A139       2.03274  -0.00018  -0.00068   0.00001  -0.00068   2.03206
   A140       2.15059   0.00014   0.00077  -0.00035   0.00041   2.15100
   A141       2.07465  -0.00009   0.00033  -0.00054  -0.00022   2.07443
   A142       2.06353  -0.00010  -0.00045   0.00039  -0.00007   2.06345
   A143       2.15846   0.00027   0.00160  -0.00032   0.00127   2.15974
   A144       2.04015  -0.00016  -0.00054   0.00003  -0.00052   2.03964
   A145       1.91347   0.00002   0.00030  -0.00017   0.00013   1.91359
   A146       1.89532   0.00002   0.00036  -0.00011   0.00025   1.89557
   A147       1.90525  -0.00011  -0.00018  -0.00001  -0.00019   1.90506
   A148       1.91110   0.00000   0.00019   0.00012   0.00031   1.91141
   A149       1.92987   0.00002  -0.00129   0.00045  -0.00083   1.92903
   A150       1.90846   0.00006   0.00066  -0.00030   0.00036   1.90883
   A151       1.90504  -0.00008  -0.00093   0.00000  -0.00093   1.90411
   A152       1.90379   0.00002   0.00015   0.00011   0.00025   1.90405
   A153       1.97686   0.00001   0.00029  -0.00004   0.00024   1.97710
   A154       1.87646   0.00003   0.00030  -0.00001   0.00029   1.87675
   A155       1.89319   0.00002   0.00013  -0.00008   0.00005   1.89324
   A156       1.90590   0.00000   0.00007   0.00004   0.00010   1.90601
    D1        3.11087  -0.00001  -0.00110   0.00004  -0.00106   3.10981
    D2        1.00611   0.00001  -0.00020  -0.00046  -0.00064   1.00547
    D3       -1.01933  -0.00001  -0.00061  -0.00018  -0.00080  -1.02012
    D4        1.01986   0.00000  -0.00098   0.00020  -0.00077   1.01909
    D5       -1.08490   0.00003  -0.00008  -0.00030  -0.00035  -1.08525
    D6       -3.11034   0.00000  -0.00049  -0.00002  -0.00050  -3.11084
    D7       -1.08877  -0.00002  -0.00132   0.00014  -0.00121  -1.08998
    D8        3.08966   0.00001  -0.00042  -0.00035  -0.00079   3.08887
    D9        1.06422  -0.00002  -0.00083  -0.00008  -0.00095   1.06327
   D10       -2.12064   0.00001  -0.00276  -0.00135  -0.00408  -2.12473
   D11        1.02362  -0.00001  -0.00514  -0.00021  -0.00535   1.01827
   D12        0.00050  -0.00001  -0.00350  -0.00094  -0.00443  -0.00393
   D13       -3.13842  -0.00003  -0.00587   0.00019  -0.00569   3.13907
   D14        2.01679   0.00000  -0.00305  -0.00107  -0.00410   2.01268
   D15       -1.12214  -0.00001  -0.00543   0.00006  -0.00536  -1.12750
   D16       -3.13798   0.00000  -0.00033   0.00030  -0.00007  -3.13806
   D17        0.02052  -0.00002  -0.00325  -0.00017  -0.00341   0.01711
   D18        0.00129   0.00001   0.00173  -0.00068   0.00102   0.00231
   D19       -3.12339  -0.00001  -0.00119  -0.00115  -0.00231  -3.12570
   D20        3.13858   0.00001   0.00124  -0.00048   0.00079   3.13937
   D21       -0.01833   0.00001  -0.00002   0.00024   0.00023  -0.01810
   D22       -0.00096   0.00000  -0.00058   0.00039  -0.00018  -0.00114
   D23        3.12532   0.00000  -0.00185   0.00111  -0.00074   3.12458
   D24       -0.00115  -0.00002  -0.00226   0.00073  -0.00150  -0.00265
   D25        3.09533   0.00001   0.00877   0.00233   0.01122   3.10655
   D26        3.12489   0.00000   0.00043   0.00117   0.00158   3.12647
   D27       -0.06181   0.00003   0.01146   0.00277   0.01429  -0.04752
   D28        0.00027  -0.00001  -0.00083   0.00006  -0.00076  -0.00049
   D29       -3.13320  -0.00004  -0.00174  -0.00057  -0.00230  -3.13551
   D30       -3.12595  -0.00001   0.00043  -0.00066  -0.00022  -3.12616
   D31        0.02376  -0.00005  -0.00048  -0.00129  -0.00176   0.02201
   D32        0.00053   0.00001   0.00187  -0.00048   0.00137   0.00190
   D33       -3.09614  -0.00002  -0.00945  -0.00208  -0.01151  -3.10765
   D34        3.13379   0.00005   0.00280   0.00017   0.00295   3.13674
   D35        0.03712   0.00002  -0.00852  -0.00144  -0.00993   0.02720
   D36        1.97183  -0.00004  -0.00676  -0.00146  -0.00816   1.96366
   D37       -2.59007  -0.00002  -0.01079  -0.00162  -0.01244  -2.60252
   D38        0.34601  -0.00002  -0.01101  -0.00186  -0.01284   0.33318
   D39       -2.37317   0.00001   0.00653   0.00685   0.01334  -2.35983
   D40       -1.10023  -0.00003  -0.01120  -0.00205  -0.01335  -1.11358
   D41       -1.22366   0.00000   0.00663   0.00046   0.00716  -1.21650
   D42        0.49762   0.00002   0.00259   0.00030   0.00288   0.50050
   D43       -2.84947   0.00002   0.00238   0.00006   0.00249  -2.84699
   D44        0.71453   0.00005   0.01991   0.00877   0.02867   0.74319
   D45        1.98747   0.00001   0.00218  -0.00013   0.00197   1.98944
   D46        1.06133   0.00002  -0.00100   0.00006  -0.00093   1.06040
   D47       -3.09921   0.00003  -0.00067  -0.00026  -0.00092  -3.10013
   D48       -1.04676   0.00004  -0.00065   0.00004  -0.00060  -1.04737
   D49       -1.03566  -0.00006  -0.00212  -0.00042  -0.00254  -1.03820
   D50        1.08698  -0.00005  -0.00179  -0.00074  -0.00253   1.08445
   D51        3.13943  -0.00004  -0.00177  -0.00044  -0.00221   3.13722
   D52       -3.12705   0.00000  -0.00124  -0.00007  -0.00132  -3.12837
   D53       -1.00441   0.00001  -0.00091  -0.00039  -0.00131  -1.00572
   D54        1.04804   0.00002  -0.00089  -0.00010  -0.00099   1.04705
   D55       -1.08378  -0.00005   0.00005  -0.00031  -0.00026  -1.08404
   D56        1.04160  -0.00002   0.00096  -0.00063   0.00033   1.04193
   D57        3.11776  -0.00002   0.00029  -0.00028   0.00000   3.11776
   D58        3.06953  -0.00001  -0.00001  -0.00002  -0.00003   3.06950
   D59       -1.08827   0.00003   0.00089  -0.00033   0.00056  -1.08772
   D60        0.98789   0.00003   0.00022   0.00001   0.00023   0.98812
   D61        1.03588  -0.00003  -0.00019  -0.00035  -0.00055   1.03534
   D62       -3.12192   0.00001   0.00071  -0.00067   0.00004  -3.12188
   D63       -1.04576   0.00001   0.00005  -0.00033  -0.00028  -1.04604
   D64       -0.87969  -0.00001   0.00944   0.00140   0.01083  -0.86886
   D65        2.22473   0.00000   0.01035   0.00186   0.01220   2.23693
   D66       -3.02661  -0.00002   0.00835   0.00143   0.00977  -3.01685
   D67        0.07781   0.00000   0.00926   0.00189   0.01114   0.08895
   D68        1.21082  -0.00001   0.00973   0.00167   0.01140   1.22222
   D69       -1.96795   0.00000   0.01065   0.00213   0.01277  -1.95517
   D70        2.96990   0.00005   0.00451   0.00347   0.00797   2.97787
   D71       -0.13241   0.00004   0.00355   0.00299   0.00652  -0.12589
   D72       -2.98347  -0.00003  -0.00300  -0.00300  -0.00599  -2.98946
   D73        0.12028  -0.00002  -0.00210  -0.00253  -0.00462   0.11566
   D74        0.02107  -0.00007  -0.00771  -0.00311  -0.01083   0.01023
   D75        0.26716  -0.00003   0.00055  -0.00043   0.00016   0.26732
   D76       -1.04856   0.00002   0.00027   0.00033   0.00060  -1.04796
   D77        1.07407   0.00000  -0.00025   0.00045   0.00020   1.07427
   D78        3.09755  -0.00001  -0.00075   0.00031  -0.00044   3.09711
   D79       -3.13622   0.00001  -0.00005   0.00000  -0.00005  -3.13628
   D80       -1.01360  -0.00001  -0.00057   0.00013  -0.00045  -1.01405
   D81        1.00988  -0.00002  -0.00107  -0.00001  -0.00109   1.00879
   D82        1.06079   0.00001   0.00017   0.00011   0.00028   1.06107
   D83       -3.09977   0.00000  -0.00035   0.00023  -0.00011  -3.09988
   D84       -1.07629  -0.00002  -0.00085   0.00009  -0.00076  -1.07705
   D85       -0.06929   0.00001  -0.01820  -0.00769  -0.02590  -0.09519
   D86        3.05204  -0.00001  -0.01905  -0.00793  -0.02699   3.02506
   D87       -2.18967  -0.00002  -0.01791  -0.00799  -0.02589  -2.21557
   D88        0.93167  -0.00004  -0.01876  -0.00822  -0.02698   0.90468
   D89        2.06531   0.00000  -0.01758  -0.00782  -0.02540   2.03991
   D90       -1.09654  -0.00003  -0.01843  -0.00806  -0.02649  -1.12303
   D91        3.11970  -0.00004  -0.00086  -0.00010  -0.00098   3.11872
   D92        0.01542  -0.00003  -0.00024  -0.00018  -0.00044   0.01498
   D93       -0.00422  -0.00002  -0.00012   0.00010  -0.00003  -0.00425
   D94       -3.10851  -0.00001   0.00050   0.00002   0.00051  -3.10799
   D95       -3.11948   0.00003   0.00084  -0.00061   0.00023  -3.11924
   D96       -0.00976   0.00004  -0.00075   0.00066  -0.00009  -0.00985
   D97        0.00679   0.00001   0.00019  -0.00079  -0.00059   0.00620
   D98        3.11651   0.00002  -0.00139   0.00048  -0.00091   3.11560
   D99        0.00011   0.00001   0.00001   0.00063   0.00064   0.00075
   D100      -2.90126  -0.00001  -0.00627  -0.00169  -0.00797  -2.90923
   D101       3.10762   0.00001  -0.00056   0.00070   0.00014   3.10776
   D102       0.20626  -0.00002  -0.00685  -0.00162  -0.00848   0.19778
   D103      -0.00709   0.00000  -0.00019   0.00123   0.00103  -0.00606
   D104       3.09476   0.00000  -0.00076   0.00059  -0.00019   3.09457
   D105      -3.11672  -0.00001   0.00138  -0.00004   0.00134  -3.11537
   D106      -0.01487  -0.00001   0.00082  -0.00068   0.00013  -0.01474
   D107       0.00428  -0.00001   0.00011  -0.00113  -0.00102   0.00326
   D108       2.90429   0.00005   0.00687   0.00140   0.00823   2.91252
   D109      -3.09776  -0.00001   0.00066  -0.00050   0.00017  -3.09759
   D110      -0.19774   0.00005   0.00742   0.00203   0.00942  -0.18832
   D111      -0.49426   0.00008   0.00211   0.00421   0.00634  -0.48792
   D112      -2.06956  -0.00001   0.00118   0.00330   0.00446  -2.06510
   D113       1.19582  -0.00002   0.00517   0.00490   0.01012   1.20594
   D114       2.77398   0.00005   0.00309   0.00381   0.00688   2.78086
   D115       2.35054   0.00005   0.02431   0.00759   0.03184   2.38238
   D116       2.93330   0.00004  -0.00557   0.00135  -0.00420   2.92910
   D117       1.35799  -0.00006  -0.00651   0.00044  -0.00608   1.35191
   D118      -1.65981  -0.00006  -0.00252   0.00204  -0.00042  -1.66023
   D119      -0.08165   0.00001  -0.00460   0.00095  -0.00366  -0.08531
   D120      -0.50509   0.00001   0.01662   0.00473   0.02130  -0.48379
   D121      -1.05635   0.00000   0.00040  -0.00062  -0.00022  -1.05658
   D122       3.10108   0.00001   0.00016  -0.00041  -0.00026   3.10082
   D123       1.07698   0.00001  -0.00004  -0.00035  -0.00038   1.07660
   D124       1.05240  -0.00001   0.00028  -0.00073  -0.00046   1.05194
   D125      -1.07336   0.00000   0.00003  -0.00052  -0.00049  -1.07385
   D126      -3.09745   0.00000  -0.00016  -0.00045  -0.00062  -3.09807
   D127      -3.13780  -0.00002   0.00025  -0.00075  -0.00049  -3.13830
   D128       1.01963   0.00000   0.00001  -0.00054  -0.00053   1.01910
   D129      -1.00447  -0.00001  -0.00019  -0.00047  -0.00065  -1.00512
   D130       0.36823   0.00001   0.00139   0.00117   0.00257   0.37081
   D131      -2.76518   0.00002  -0.00097   0.00278   0.00182  -2.76335
   D132       2.49133  -0.00001   0.00158   0.00105   0.00263   2.49396
   D133      -0.64209   0.00000  -0.00077   0.00265   0.00189  -0.64020
   D134      -1.75742   0.00000   0.00165   0.00098   0.00263  -1.75479
   D135       1.39235   0.00000  -0.00071   0.00259   0.00188   1.39424
   D136      -3.12689   0.00002  -0.00061  -0.00084  -0.00144  -3.12833
   D137       0.01130   0.00001  -0.00302   0.00081  -0.00221   0.00909
   D138       0.00766   0.00001   0.00143  -0.00223  -0.00080   0.00686
   D139      -3.13735   0.00000  -0.00099  -0.00057  -0.00156  -3.13891
   D140       3.12857  -0.00005   0.00052  -0.00043   0.00008   3.12865
   D141       0.00030   0.00001   0.00172   0.00001   0.00172   0.00203
   D142      -0.00673  -0.00005  -0.00130   0.00080  -0.00050  -0.00722
   D143      -3.13499   0.00002  -0.00010   0.00125   0.00115  -3.13385
   D144      -0.00583   0.00002  -0.00104   0.00287   0.00183  -0.00400
   D145       2.95785   0.00000  -0.00116   0.00071  -0.00046   2.95739
   D146       3.13887   0.00003   0.00116   0.00136   0.00252   3.14139
   D147      -0.18064   0.00001   0.00104  -0.00079   0.00024  -0.18040
   D148       0.00340   0.00006   0.00071   0.00096   0.00168   0.00508
   D149      -3.11373   0.00004   0.00104  -0.00022   0.00082  -3.11292
   D150       3.13165   0.00000  -0.00049   0.00052   0.00003   3.13168
   D151       0.01452  -0.00002  -0.00017  -0.00066  -0.00083   0.01368
   D152       0.00142  -0.00005   0.00019  -0.00231  -0.00213  -0.00071
   D153      -2.96475   0.00000  -0.00011  -0.00013  -0.00025  -2.96500
   D154       3.11873  -0.00004  -0.00014  -0.00114  -0.00127   3.11746
   D155       0.15256   0.00001  -0.00043   0.00105   0.00061   0.15317
   D156      -1.44469   0.00004  -0.00710   0.00171  -0.00539  -1.45008
   D157       0.26042   0.00003  -0.00292   0.00270  -0.00026   0.26016
   D158       2.82107   0.00005  -0.01981  -0.00341  -0.02319   2.79789
   D159       1.72612   0.00004  -0.00443   0.00283  -0.00156   1.72457
   D160      -3.11038   0.00002  -0.00630   0.00179  -0.00450  -3.11488
   D161       1.48713  -0.00001  -0.00698  -0.00087  -0.00786   1.47928
   D162      -3.09095  -0.00002  -0.00280   0.00013  -0.00272  -3.09366
   D163      -0.53029   0.00001  -0.01969  -0.00598  -0.02565  -0.55594
   D164      -1.62524  -0.00001  -0.00432   0.00026  -0.00402  -1.62926
   D165      -0.17856  -0.00002  -0.00619  -0.00078  -0.00696  -0.18552
   D166       1.76335  -0.00005  -0.00469  -0.00166  -0.00634   1.75700
   D167      -0.59415   0.00003   0.00323   0.00246   0.00570  -0.58845
   D168       0.05195  -0.00002  -0.00925  -0.00259  -0.01184   0.04011
   D169      -2.30555   0.00006  -0.00132   0.00153   0.00020  -2.30535
   D170      -2.51569  -0.00004   0.00785   0.00346   0.01130  -2.50439
   D171       1.41000   0.00004   0.01578   0.00757   0.02333   1.43334
   D172      -1.43356  -0.00004  -0.00754  -0.00274  -0.01030  -1.44385
   D173       2.49213   0.00004   0.00039   0.00138   0.00174   2.49388
   D174      -2.86957  -0.00001  -0.00571  -0.00176  -0.00746  -2.87704
   D175       1.05612   0.00007   0.00221   0.00236   0.00457   1.06069
   D176       1.08068  -0.00004  -0.02091  -0.00616  -0.02707   1.05360
   D177       3.03284   0.00000  -0.00716   0.00215  -0.00511   3.02774
   D178       1.29905  -0.00001  -0.00342   0.00238  -0.00102   1.29803
   D179      -1.64133   0.00000  -0.00364   0.00244  -0.00127  -1.64260
   D180      -0.20695   0.00000  -0.00337   0.00271  -0.00060  -0.20756
   D181       2.09718  -0.00001   0.00051  -0.00243  -0.00199   2.09519
   D182      -0.74908   0.00002  -0.02176  -0.00583  -0.02756  -0.77664
   D183      -2.63864   0.00008   0.00138  -0.00168  -0.00027  -2.63891
   D184       0.42472   0.00009  -0.00195  -0.00307  -0.00510   0.41962
   D185      -1.17482   0.00002  -0.00046  -0.00211  -0.00258  -1.17740
   D186      -2.42085   0.00006   0.01267   0.00486   0.01758  -2.40327
   D187       0.08637   0.00006   0.00669   0.00154   0.00826   0.09463
   D188       2.09337  -0.00003  -0.01051  -0.00208  -0.01256   2.08081
   D189      -0.37808   0.00001  -0.00433   0.00052  -0.00381  -0.38189
   D190       0.90054  -0.00004   0.00416  -0.00234   0.00179   0.90233
   D191      -2.26045  -0.00002   0.00293  -0.00205   0.00087  -2.25958
   D192       0.07766   0.00001  -0.00194   0.00013  -0.00181   0.07585
   D193      -3.09060   0.00002   0.00092  -0.00035   0.00058  -3.09002
   D194      -3.04534   0.00000  -0.00076  -0.00016  -0.00093  -3.04627
   D195       0.06959   0.00000   0.00210  -0.00064   0.00146   0.07105
   D196      -1.15394  -0.00001  -0.00006   0.00011   0.00005  -1.15390
   D197       0.89168  -0.00001  -0.00015   0.00016   0.00001   0.89169
   D198       3.01813   0.00001   0.00024   0.00025   0.00049   3.01862
   D199       1.96927   0.00000  -0.00123   0.00039  -0.00083   1.96844
   D200      -2.26830   0.00000  -0.00131   0.00044  -0.00087  -2.26916
   D201      -0.14184   0.00002  -0.00092   0.00053  -0.00039  -0.14223
   D202      -1.44520   0.00002  -0.00054   0.00051  -0.00002  -1.44521
   D203       0.57516   0.00002  -0.00079   0.00077  -0.00001   0.57515
   D204       2.65406   0.00003  -0.00065   0.00071   0.00008   2.65413
   D205       1.72302   0.00001  -0.00339   0.00099  -0.00240   1.72062
   D206      -2.53981   0.00002  -0.00364   0.00124  -0.00240  -2.54221
   D207      -0.46092   0.00002  -0.00350   0.00118  -0.00231  -0.46322
   D208       0.70343   0.00001  -0.00140  -0.00014  -0.00152   0.70191
   D209      -2.50520   0.00004  -0.00058  -0.00057  -0.00114  -2.50635
   D210      -1.36509  -0.00004  -0.00129  -0.00028  -0.00156  -1.36664
   D211       1.70947   0.00000  -0.00047  -0.00072  -0.00118   1.70828
   D212       2.86125   0.00002  -0.00107  -0.00018  -0.00124   2.86001
   D213      -0.34738   0.00006  -0.00025  -0.00061  -0.00086  -0.34825
   D214       0.99139   0.00007   0.00423   0.00233   0.00657   0.99796
   D215      -2.07846   0.00005   0.00342   0.00279   0.00621  -2.07225
   D216      -0.00557   0.00005   0.00291   0.00080   0.00371  -0.00185
   D217      -2.92104  -0.00001  -0.00013   0.00025   0.00012  -2.92092
   D218       3.06676   0.00008   0.00372   0.00037   0.00409   3.07085
   D219       0.15128   0.00002   0.00068  -0.00018   0.00050   0.15178
   D220      -2.47506   0.00003   0.00270   0.00012   0.00282  -2.47224
   D221      -0.38768   0.00005   0.00332   0.00010   0.00341  -0.38426
   D222       1.69171   0.00007   0.00421  -0.00033   0.00389   1.69560
   D223       0.88986  -0.00003  -0.00031  -0.00047  -0.00077   0.88909
   D224       2.97724  -0.00001   0.00031  -0.00049  -0.00018   2.97706
   D225      -1.22656   0.00000   0.00121  -0.00091   0.00030  -1.22626
         Item               Value     Threshold  Converged?
 Maximum Force            0.000343     0.000450     YES
 RMS     Force            0.000055     0.000300     YES
 Maximum Displacement     0.113508     0.001800     NO 
 RMS     Displacement     0.013720     0.001200     NO 
 Predicted change in Energy=-1.679510D-05
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.062214    2.564227    3.549344
      2          6           0       -3.326909    1.202762    3.646847
      3          6           0       -2.079599    1.124370    2.810618
      4          6           0       -1.698089    0.265546    1.790715
      5          7           0       -0.999882    2.009849    2.961796
      6          6           0       -0.024259    1.670620    2.056934
      7          7           0       -0.415036    0.613658    1.329919
      8          6           0       -5.224929    0.924316    0.137339
      9          6           0       -5.880053   -0.157921   -0.748985
     10          6           0       -5.248790   -1.558623   -0.556051
     11          6           0       -3.774087   -1.560733   -0.951123
     12          8           0       -3.399822   -1.077938   -2.069421
     13          8           0       -2.909435   -2.049415   -0.055858
     14          6           0       -2.237336    4.240846   -2.993057
     15          6           0       -0.950451    3.857980   -3.753663
     16          6           0       -0.155659    2.776556   -3.069802
     17          6           0       -0.296463    2.126915   -1.852915
     18          7           0        0.974675    2.184336   -3.659442
     19          6           0        1.465136    1.219107   -2.814386
     20          7           0        0.714934    1.161886   -1.705712
     21          6           0        4.707261    3.972591    1.490020
     22          6           0        5.166579    2.593911    2.012821
     23          6           0        4.191692    1.500489    1.667133
     24          6           0        3.209989    1.409549    0.690629
     25          7           0        4.116969    0.281799    2.360392
     26          6           0        3.116226   -0.484276    1.806404
     27          7           0        2.550612    0.177107    0.791057
     28         30           0        0.758243   -0.402951   -0.224966
     29          1           0       -4.976463    2.545668    4.153926
     30          1           0       -4.341884    2.783814    2.513285
     31          1           0       -3.441899    3.392264    3.919185
     32          1           0       -3.998483    0.402170    3.319588
     33          1           0       -3.087320    0.995217    4.700438
     34          1           0       -2.252845   -0.555022    1.358148
     35          1           0       -0.956751    2.778188    3.618433
     36          1           0        0.916050    2.188703    1.965355
     37          1           0       -4.158631    1.030405   -0.099298
     38          1           0       -5.317286    0.666499    1.201981
     39          1           0       -5.706406    1.899442   -0.016359
     40          1           0       -6.954670   -0.217550   -0.525215
     41          1           0       -5.779293    0.123197   -1.804536
     42          1           0       -5.341400   -1.896180    0.482613
     43          1           0       -5.775690   -2.281625   -1.194949
     44          1           0       -2.905133    3.377577   -2.889847
     45          1           0       -2.777338    5.024748   -3.535540
     46          1           0       -2.008654    4.623349   -1.990354
     47          1           0       -1.220852    3.521173   -4.765748
     48          1           0       -0.322945    4.753366   -3.880911
     49          1           0       -1.057052    2.260288   -1.102211
     50          1           0        1.347109    2.412666   -4.572521
     51          1           0        2.302265    0.574565   -3.025245
     52          1           0        4.609695    3.971264    0.397633
     53          1           0        3.740517    4.258298    1.921702
     54          1           0        5.439572    4.743141    1.755399
     55          1           0        5.294204    2.642624    3.104194
     56          1           0        6.157098    2.360086    1.595416
     57          1           0        2.933933    2.130731   -0.060555
     58          1           0        4.695453    0.016842    3.147707
     59          1           0        2.814081   -1.460107    2.149685
     60          8           0       -0.794705   -1.381499   -1.088055
     61          1           0       -1.201404   -1.044234   -1.917009
     62          1           0       -1.678305   -1.766616   -0.543134
     63          6           0        2.969458   -2.528105   -1.575154
     64          8           0        2.276918   -1.473128   -1.700636
     65          7           0        2.418564   -3.718606   -1.191532
     66          6           0        0.979909   -3.902311   -0.983644
     67          6           0        0.499865   -3.445795    0.401850
     68          8           0        0.965880   -2.377972    0.923418
     69          7           0       -0.475729   -4.183161    0.972562
     70          1           0        0.431915   -3.260712   -1.685695
     71          1           0        0.722886   -4.949195   -1.176683
     72          1           0        3.029493   -4.516491   -1.064589
     73          1           0       -0.833045   -4.984149    0.461922
     74          6           0       -1.241681   -3.752423    2.158244
     75          1           0       -1.422601   -4.612004    2.811675
     76          1           0       -0.658724   -3.001888    2.695842
     77          1           0       -2.190800   -3.310759    1.832380
     78          6           0        4.458232   -2.529017   -1.872931
     79          1           0        4.610036   -2.347627   -2.943586
     80          1           0        4.932756   -1.706390   -1.328636
     81          1           0        4.952135   -3.469189   -1.606886
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968512      0.0727606      0.0659655
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.2517224516 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33678 LenP2D=  122080.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999998   -0.001400    0.001374   -0.000962 Ang=  -0.25 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97579301     A.U. after   10 cycles
            NFock= 10  Conv=0.64D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33678 LenP2D=  122080.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000061902   -0.000083754   -0.000027605
      3        6          -0.000001747   -0.000090490    0.000014386
      4        6          -0.000262449    0.000093053   -0.000088488
      5        7           0.000170989   -0.000038420    0.000022751
      6        6          -0.000145791    0.000122146   -0.000034228
      7        7           0.000208337    0.000009890   -0.000036319
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000031843   -0.000099854   -0.000004842
     10        6          -0.000056610    0.000053795    0.000003265
     11        6           0.000169681    0.000088426   -0.000081656
     12        8          -0.000160697   -0.000223963   -0.000129747
     13        8          -0.000189528    0.000071851    0.000076945
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000015439    0.000037991   -0.000077787
     16        6           0.000035287    0.000064484    0.000021310
     17        6          -0.000059936   -0.000040239   -0.000006100
     18        7          -0.000009716   -0.000049407   -0.000019326
     19        6           0.000044400    0.000067506   -0.000061528
     20        7           0.000167435    0.000098826    0.000136113
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000038948   -0.000037872    0.000005038
     23        6           0.000028871   -0.000047261   -0.000018878
     24        6          -0.000002410   -0.000015303    0.000008017
     25        7          -0.000039378    0.000048053    0.000001144
     26        6          -0.000058428   -0.000065705   -0.000089868
     27        7          -0.000058808    0.000232296    0.000167874
     28       30           0.000080790   -0.000449308    0.000040711
     29        1           0.000008020    0.000019127    0.000005306
     30        1           0.000073925   -0.000053697   -0.000129682
     31        1          -0.000034685   -0.000096333    0.000056315
     32        1           0.000064121    0.000127633   -0.000081314
     33        1          -0.000091030    0.000069788    0.000146017
     34        1           0.000010106   -0.000084723    0.000004361
     35        1           0.000002197    0.000041644    0.000044382
     36        1           0.000035624    0.000003341   -0.000022458
     37        1           0.000006751   -0.000023720    0.000008439
     38        1           0.000001020    0.000018005    0.000040109
     39        1           0.000032847   -0.000030414   -0.000011286
     40        1           0.000009723   -0.000021367    0.000040655
     41        1          -0.000019753    0.000026447    0.000008983
     42        1           0.000027107    0.000000642    0.000018080
     43        1          -0.000010116   -0.000023457    0.000000862
     44        1           0.000005269    0.000019373    0.000015850
     45        1          -0.000016383   -0.000003405    0.000001460
     46        1          -0.000015061   -0.000011037    0.000011237
     47        1          -0.000010673    0.000005193   -0.000000711
     48        1          -0.000003542   -0.000023140    0.000035884
     49        1           0.000012619    0.000001298   -0.000022543
     50        1          -0.000009120   -0.000045515    0.000021691
     51        1          -0.000001017    0.000015709   -0.000018207
     52        1           0.000003843   -0.000010662   -0.000010088
     53        1           0.000002267    0.000007316    0.000010472
     54        1           0.000001750   -0.000024974    0.000006996
     55        1           0.000006137    0.000002774    0.000011116
     56        1          -0.000002632   -0.000002647    0.000013387
     57        1          -0.000053541   -0.000016931   -0.000030707
     58        1           0.000011850   -0.000007407    0.000012076
     59        1          -0.000019613   -0.000005464   -0.000028319
     60        8          -0.000040788    0.000366985    0.000077054
     61        1           0.000289571    0.000132791    0.000009105
     62        1           0.000070219   -0.000287579    0.000008497
     63        6          -0.000114095   -0.000344987   -0.000178343
     64        8          -0.000173448    0.000232448    0.000034521
     65        7          -0.000038231    0.000226390    0.000075079
     66        6          -0.000009872   -0.000089300   -0.000019974
     67        6          -0.000038620    0.000066956   -0.000130389
     68        8           0.000039248   -0.000136316    0.000096240
     69        7           0.000064079   -0.000107183   -0.000101286
     70        1           0.000001048    0.000023364    0.000031228
     71        1           0.000010829    0.000013526    0.000010186
     72        1          -0.000006083    0.000017522   -0.000025506
     73        1          -0.000020310    0.000003777    0.000001773
     74        6           0.000070125    0.000129294    0.000070892
     75        1          -0.000059619   -0.000022399    0.000045809
     76        1           0.000009805   -0.000001921    0.000012295
     77        1          -0.000005573   -0.000035795   -0.000021163
     78        6           0.000086303    0.000044174    0.000032853
     79        1          -0.000011564   -0.000014588   -0.000012765
     80        1           0.000002390   -0.000000550    0.000002645
     81        1          -0.000002811    0.000018621   -0.000000898
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000449308 RMS     0.000084679

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000215818 RMS     0.000043907
 Search for a local minimum.
 Step number  36 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36
 DE= -1.94D-05 DEPred=-1.68D-05 R= 1.15D+00
 TightC=F SS=  1.41D+00  RLast= 1.26D-01 DXNew= 5.0454D+00 3.7765D-01
 Trust test= 1.15D+00 RLast= 1.26D-01 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00084   0.00112   0.00193   0.00230   0.00230
     Eigenvalues ---    0.00232   0.00240   0.00281   0.00388   0.00506
     Eigenvalues ---    0.00533   0.00575   0.00633   0.00677   0.00722
     Eigenvalues ---    0.00788   0.00801   0.00871   0.00884   0.00996
     Eigenvalues ---    0.01132   0.01240   0.01285   0.01361   0.01450
     Eigenvalues ---    0.01518   0.01590   0.01708   0.01756   0.01777
     Eigenvalues ---    0.01799   0.01861   0.01892   0.01922   0.01941
     Eigenvalues ---    0.02014   0.02060   0.02162   0.02250   0.02256
     Eigenvalues ---    0.02271   0.02373   0.02529   0.02623   0.02789
     Eigenvalues ---    0.03005   0.03267   0.03647   0.03911   0.03957
     Eigenvalues ---    0.04043   0.04121   0.04200   0.04323   0.04447
     Eigenvalues ---    0.04668   0.04860   0.05011   0.05224   0.05317
     Eigenvalues ---    0.05364   0.05381   0.05389   0.05403   0.05429
     Eigenvalues ---    0.05485   0.05508   0.05511   0.05527   0.05539
     Eigenvalues ---    0.05725   0.06110   0.06398   0.06871   0.06946
     Eigenvalues ---    0.07355   0.07481   0.07661   0.07834   0.08300
     Eigenvalues ---    0.08494   0.08749   0.09252   0.09322   0.09476
     Eigenvalues ---    0.09674   0.10005   0.10323   0.10670   0.10995
     Eigenvalues ---    0.11988   0.12241   0.12524   0.12867   0.12922
     Eigenvalues ---    0.13024   0.13446   0.14240   0.14698   0.15152
     Eigenvalues ---    0.15339   0.15793   0.15890   0.15925   0.15975
     Eigenvalues ---    0.15978   0.15988   0.15991   0.15995   0.15999
     Eigenvalues ---    0.15999   0.15999   0.16001   0.16002   0.16005
     Eigenvalues ---    0.16008   0.16011   0.16012   0.16022   0.16024
     Eigenvalues ---    0.16041   0.16049   0.16080   0.16101   0.16110
     Eigenvalues ---    0.16187   0.16257   0.16320   0.16413   0.16428
     Eigenvalues ---    0.16971   0.18234   0.20422   0.20670   0.21090
     Eigenvalues ---    0.21386   0.22146   0.22381   0.22446   0.22807
     Eigenvalues ---    0.22925   0.23029   0.23142   0.23597   0.23838
     Eigenvalues ---    0.24026   0.24239   0.24418   0.24700   0.25102
     Eigenvalues ---    0.25273   0.25988   0.27302   0.27682   0.28119
     Eigenvalues ---    0.28222   0.28382   0.28631   0.29379   0.30189
     Eigenvalues ---    0.30778   0.30998   0.31570   0.31651   0.31924
     Eigenvalues ---    0.33609   0.33617   0.33629   0.33664   0.33673
     Eigenvalues ---    0.33780   0.33802   0.33836   0.33872   0.33915
     Eigenvalues ---    0.33933   0.33940   0.33985   0.34002   0.34007
     Eigenvalues ---    0.34030   0.34048   0.34073   0.34090   0.34124
     Eigenvalues ---    0.34135   0.34173   0.34181   0.34194   0.34208
     Eigenvalues ---    0.34293   0.34307   0.34444   0.34645   0.35368
     Eigenvalues ---    0.35630   0.35763   0.36157   0.36237   0.36341
     Eigenvalues ---    0.36520   0.36563   0.38492   0.39090   0.39649
     Eigenvalues ---    0.40115   0.42300   0.42617   0.42808   0.43999
     Eigenvalues ---    0.45285   0.45367   0.45450   0.45504   0.45583
     Eigenvalues ---    0.45601   0.45644   0.46566   0.48965   0.49293
     Eigenvalues ---    0.49612   0.49773   0.50480   0.52562   0.54529
     Eigenvalues ---    0.54912   0.55096   0.57225   0.66573   0.73205
     Eigenvalues ---    0.766291000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    36   35   34   33   32
 RFO step:  Lambda=-2.16752262D-06.
 DidBck=F Rises=F RFO-DIIS coefs:    0.95360    0.41619   -0.68424    0.38401   -0.06955
 Iteration  1 RMS(Cart)=  0.00291956 RMS(Int)=  0.00000552
 Iteration  2 RMS(Cart)=  0.00000816 RMS(Int)=  0.00000368
 Iteration  3 RMS(Cart)=  0.00000010 RMS(Int)=  0.00000368
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00004   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498  -0.00006   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00003   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00010   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00006   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00001   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00001   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00001   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00002   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00005   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.92985   0.00015   0.00003   0.00020   0.00023   2.93008
    R2        2.07157   0.00002  -0.00011   0.00006  -0.00005   2.07152
    R3        2.06996   0.00016   0.00011   0.00014   0.00024   2.07020
    R4        2.07631   0.00012   0.00002   0.00017   0.00018   2.07649
    R5        2.84164   0.00001  -0.00010   0.00010   0.00000   2.84164
    R6        2.06928   0.00016  -0.00001   0.00022   0.00022   2.06949
    R7        2.07916   0.00018  -0.00002   0.00023   0.00021   2.07937
    R8        2.62075   0.00009  -0.00001   0.00003   0.00003   2.62078
    R9        2.65419  -0.00009  -0.00008   0.00001  -0.00007   2.65412
   R10        2.65891  -0.00016  -0.00012  -0.00019  -0.00032   2.65859
   R11        2.04248  -0.00007   0.00004  -0.00011  -0.00007   2.04241
   R12        2.59498   0.00010   0.00006   0.00013   0.00019   2.59517
   R13        1.91169   0.00001   0.00000   0.00001   0.00001   1.91170
   R14        2.53422  -0.00004   0.00001  -0.00001   0.00000   2.53422
   R15        2.03615  -0.00003  -0.00003  -0.00001  -0.00003   2.03612
   R16        4.15213  -0.00005  -0.00117  -0.00045  -0.00163   4.15050
   R17        2.91900  -0.00006  -0.00006   0.00004  -0.00001   2.91898
   R18        2.07375   0.00000  -0.00006   0.00001  -0.00006   2.07369
   R19        2.07738   0.00004  -0.00002   0.00008   0.00006   2.07743
   R20        2.07553   0.00004   0.00017  -0.00005   0.00011   2.07564
   R21        2.92614   0.00004   0.00004   0.00006   0.00010   2.92624
   R22        2.07735   0.00001   0.00003  -0.00001   0.00002   2.07737
   R23        2.07300  -0.00002  -0.00003  -0.00003  -0.00006   2.07293
   R24        2.88506   0.00000   0.00024  -0.00009   0.00015   2.88520
   R25        2.07125   0.00001   0.00006  -0.00001   0.00005   2.07130
   R26        2.07745  -0.00002  -0.00004   0.00002  -0.00002   2.07743
   R27        2.40801   0.00016   0.00014   0.00008   0.00022   2.40824
   R28        2.52682   0.00022  -0.00002   0.00022   0.00020   2.52702
   R29        4.16487  -0.00019  -0.00058  -0.00687  -0.00745   4.15742
   R30        2.55853  -0.00002  -0.00013  -0.00039  -0.00052   2.55801
   R31        2.91605   0.00000   0.00001   0.00005   0.00007   2.91612
   R32        2.07168   0.00002   0.00004  -0.00001   0.00003   2.07171
   R33        2.07043  -0.00001  -0.00003   0.00002  -0.00001   2.07041
   R34        2.07355   0.00002  -0.00004   0.00005   0.00001   2.07356
   R35        2.84643  -0.00003  -0.00003  -0.00003  -0.00006   2.84637
   R36        2.07945   0.00000   0.00005  -0.00004   0.00001   2.07946
   R37        2.08013   0.00003   0.00002   0.00003   0.00005   2.08019
   R38        2.62030  -0.00002   0.00009  -0.00005   0.00004   2.62034
   R39        2.65643  -0.00002  -0.00018   0.00003  -0.00015   2.65628
   R40        2.65631  -0.00003  -0.00009  -0.00004  -0.00013   2.65618
   R41        2.03516  -0.00001   0.00001  -0.00002  -0.00001   2.03515
   R42        2.59543   0.00000   0.00004  -0.00005  -0.00001   2.59542
   R43        1.91279   0.00001   0.00001   0.00000   0.00001   1.91279
   R44        2.53198   0.00004   0.00003   0.00004   0.00007   2.53205
   R45        2.03589   0.00001  -0.00001   0.00004   0.00003   2.03592
   R46        4.07200  -0.00008  -0.00065  -0.00108  -0.00173   4.07027
   R47        2.91842  -0.00003  -0.00011   0.00002  -0.00009   2.91833
   R48        2.07253   0.00001  -0.00002   0.00002   0.00000   2.07253
   R49        2.07231   0.00001   0.00013  -0.00005   0.00008   2.07239
   R50        2.07048   0.00002  -0.00002   0.00003   0.00001   2.07049
   R51        2.84432   0.00002  -0.00003   0.00009   0.00007   2.84439
   R52        2.07849   0.00001   0.00001   0.00000   0.00001   2.07850
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62228  -0.00001  -0.00003   0.00002  -0.00001   2.62227
   R55        2.65330   0.00004   0.00006   0.00006   0.00012   2.65341
   R56        2.64816   0.00006  -0.00006   0.00015   0.00009   2.64826
   R57        2.03581   0.00000   0.00000   0.00001   0.00001   2.03582
   R58        2.60156   0.00001   0.00005  -0.00003   0.00002   2.60157
   R59        1.91293   0.00000  -0.00001   0.00000  -0.00001   1.91293
   R60        2.52707  -0.00004   0.00000  -0.00006  -0.00006   2.52701
   R61        2.03651  -0.00001  -0.00001  -0.00002  -0.00003   2.03648
   R62        4.04479   0.00011   0.00073   0.00051   0.00124   4.04603
   R63        3.83299   0.00017   0.00071   0.00012   0.00082   3.83381
   R64        4.48357   0.00019   0.00082   0.00657   0.00740   4.49097
   R65        4.33510  -0.00008   0.00001  -0.00204  -0.00202   4.33308
   R66        1.85763   0.00007  -0.00010   0.00024   0.00014   1.85776
   R67        2.09240  -0.00016   0.00009   0.00006   0.00014   2.09254
   R68        2.39655  -0.00005   0.00001  -0.00013  -0.00012   2.39643
   R69        2.58274   0.00018  -0.00004   0.00029   0.00025   2.58299
   R70        2.86910  -0.00009   0.00004  -0.00008  -0.00005   2.86905
   R71        2.76875   0.00002  -0.00010   0.00000  -0.00010   2.76865
   R72        1.91411   0.00002   0.00001   0.00000   0.00001   1.91412
   R73        2.90209   0.00000   0.00010  -0.00005   0.00005   2.90214
   R74        2.07425  -0.00003   0.00000  -0.00002  -0.00002   2.07423
   R75        2.06948   0.00001   0.00005   0.00000   0.00005   2.06953
   R76        2.41223   0.00010   0.00003   0.00004   0.00008   2.41231
   R77        2.55022   0.00000  -0.00009   0.00004  -0.00005   2.55017
   R78        1.91787   0.00000   0.00001  -0.00001   0.00000   1.91787
   R79        2.78890   0.00010  -0.00014   0.00014   0.00000   2.78891
   R80        2.06887   0.00001   0.00012  -0.00006   0.00006   2.06893
   R81        2.06331   0.00001  -0.00009   0.00007  -0.00002   2.06330
   R82        2.07189   0.00000   0.00009  -0.00004   0.00005   2.07194
   R83        2.07203   0.00002   0.00005  -0.00001   0.00004   2.07207
   R84        2.06849   0.00000  -0.00005   0.00003  -0.00002   2.06847
   R85        2.06892   0.00002  -0.00001   0.00003   0.00002   2.06894
    A1        1.92408  -0.00003   0.00001  -0.00009  -0.00008   1.92401
    A2        1.93543   0.00002  -0.00002   0.00003   0.00001   1.93544
    A3        1.95288   0.00001   0.00010   0.00000   0.00010   1.95299
    A4        1.88820   0.00000  -0.00007   0.00003  -0.00004   1.88816
    A5        1.87336   0.00001  -0.00012   0.00006  -0.00006   1.87330
    A6        1.88751  -0.00001   0.00009  -0.00003   0.00007   1.88758
    A7        1.98690  -0.00003  -0.00022   0.00017  -0.00007   1.98683
    A8        1.90960   0.00001  -0.00003  -0.00013  -0.00015   1.90945
    A9        1.90620   0.00003   0.00011   0.00009   0.00020   1.90640
   A10        1.88011   0.00001  -0.00013   0.00000  -0.00013   1.87998
   A11        1.91991  -0.00001   0.00017  -0.00011   0.00006   1.91997
   A12        1.85649  -0.00001   0.00013  -0.00004   0.00009   1.85658
   A13        2.30424   0.00006  -0.00029   0.00002  -0.00027   2.30397
   A14        2.14710  -0.00007   0.00021  -0.00002   0.00019   2.14728
   A15        1.83185   0.00001   0.00008   0.00000   0.00008   1.83193
   A16        1.91610   0.00000  -0.00008   0.00002  -0.00006   1.91605
   A17        2.24372   0.00000  -0.00005   0.00011   0.00006   2.24378
   A18        2.12328  -0.00001   0.00014  -0.00014   0.00000   2.12328
   A19        1.89600  -0.00005  -0.00002  -0.00005  -0.00008   1.89592
   A20        2.19133  -0.00001   0.00012  -0.00009   0.00003   2.19136
   A21        2.19574   0.00006  -0.00010   0.00016   0.00006   2.19580
   A22        1.92293   0.00001  -0.00009  -0.00004  -0.00012   1.92281
   A23        2.16186   0.00000   0.00006   0.00002   0.00009   2.16195
   A24        2.19837  -0.00001   0.00003   0.00002   0.00004   2.19842
   A25        1.85790   0.00002   0.00011   0.00007   0.00017   1.85807
   A26        2.21958  -0.00006   0.00055  -0.00003   0.00052   2.22010
   A27        2.20521   0.00004  -0.00058  -0.00007  -0.00068   2.20453
   A28        1.93490   0.00003   0.00029  -0.00013   0.00016   1.93506
   A29        1.93452   0.00000  -0.00002   0.00003   0.00001   1.93453
   A30        1.93459  -0.00003  -0.00021  -0.00002  -0.00023   1.93436
   A31        1.88930  -0.00001   0.00029  -0.00003   0.00026   1.88956
   A32        1.88594  -0.00001  -0.00012   0.00003  -0.00008   1.88585
   A33        1.88275   0.00001  -0.00023   0.00011  -0.00013   1.88263
   A34        1.97076  -0.00001   0.00016  -0.00003   0.00013   1.97089
   A35        1.91326  -0.00004  -0.00022  -0.00010  -0.00032   1.91294
   A36        1.91094   0.00003   0.00010  -0.00007   0.00003   1.91097
   A37        1.90085   0.00003   0.00010   0.00002   0.00012   1.90097
   A38        1.89047  -0.00002  -0.00026   0.00010  -0.00016   1.89032
   A39        1.87503   0.00001   0.00012   0.00009   0.00020   1.87523
   A40        1.94206  -0.00002  -0.00021   0.00020  -0.00001   1.94206
   A41        1.94144  -0.00003   0.00011  -0.00003   0.00008   1.94152
   A42        1.90404   0.00002   0.00003   0.00008   0.00011   1.90416
   A43        1.90330   0.00004   0.00031  -0.00012   0.00018   1.90349
   A44        1.88774  -0.00001  -0.00011  -0.00007  -0.00018   1.88756
   A45        1.88356   0.00000  -0.00013  -0.00007  -0.00020   1.88336
   A46        2.10631   0.00003  -0.00046   0.00016  -0.00029   2.10602
   A47        2.03965  -0.00001   0.00031  -0.00018   0.00012   2.03977
   A48        2.13664  -0.00002   0.00015   0.00000   0.00014   2.13679
   A49        1.81118  -0.00008  -0.00019   0.00015  -0.00005   1.81113
   A50        1.84491  -0.00001  -0.00001   0.00003   0.00002   1.84493
   A51        1.93802   0.00002  -0.00011   0.00017   0.00006   1.93808
   A52        1.92250  -0.00001  -0.00016   0.00003  -0.00013   1.92237
   A53        1.94240  -0.00003   0.00013  -0.00014  -0.00001   1.94239
   A54        1.88577   0.00001   0.00018   0.00007   0.00025   1.88603
   A55        1.89169   0.00000  -0.00003  -0.00004  -0.00007   1.89163
   A56        1.88154   0.00001   0.00000  -0.00010  -0.00010   1.88144
   A57        1.97620  -0.00001   0.00023  -0.00013   0.00010   1.97630
   A58        1.90113   0.00003  -0.00004   0.00020   0.00016   1.90129
   A59        1.90770  -0.00003  -0.00009  -0.00016  -0.00025   1.90745
   A60        1.90444   0.00000  -0.00028   0.00017  -0.00011   1.90433
   A61        1.91313   0.00001   0.00023  -0.00014   0.00008   1.91321
   A62        1.85744   0.00001  -0.00007   0.00008   0.00002   1.85745
   A63        2.32023   0.00002   0.00014  -0.00008   0.00006   2.32029
   A64        2.13686  -0.00005  -0.00016   0.00006  -0.00010   2.13676
   A65        1.82594   0.00003   0.00001   0.00003   0.00004   1.82598
   A66        1.91823   0.00001  -0.00005  -0.00001  -0.00005   1.91818
   A67        2.24648  -0.00002   0.00000  -0.00017  -0.00018   2.24631
   A68        2.11785   0.00001   0.00004   0.00017   0.00021   2.11806
   A69        1.90195  -0.00003   0.00006  -0.00003   0.00003   1.90198
   A70        2.18855   0.00000   0.00000  -0.00001  -0.00001   2.18855
   A71        2.19219   0.00003  -0.00006   0.00003  -0.00003   2.19216
   A72        1.91685   0.00002  -0.00009   0.00001  -0.00008   1.91677
   A73        2.18647  -0.00001   0.00006   0.00008   0.00014   2.18661
   A74        2.17909   0.00000   0.00004  -0.00008  -0.00004   2.17905
   A75        1.86178  -0.00002   0.00006   0.00000   0.00005   1.86183
   A76        2.19566   0.00010   0.00019   0.00067   0.00085   2.19651
   A77        2.19984  -0.00007   0.00000  -0.00055  -0.00055   2.19929
   A78        1.94181   0.00001   0.00002   0.00003   0.00006   1.94186
   A79        1.94069  -0.00002   0.00011  -0.00014  -0.00003   1.94066
   A80        1.92522   0.00002   0.00014   0.00002   0.00016   1.92538
   A81        1.89018   0.00000  -0.00010   0.00005  -0.00005   1.89013
   A82        1.87713  -0.00001   0.00000  -0.00002  -0.00002   1.87711
   A83        1.88667   0.00000  -0.00018   0.00006  -0.00012   1.88655
   A84        1.95858  -0.00001  -0.00010   0.00025   0.00014   1.95872
   A85        1.90803  -0.00001   0.00004  -0.00004   0.00000   1.90803
   A86        1.90617   0.00001   0.00009  -0.00008   0.00001   1.90618
   A87        1.91264   0.00000   0.00002  -0.00003  -0.00001   1.91263
   A88        1.91948   0.00001  -0.00001  -0.00009  -0.00011   1.91937
   A89        1.85610   0.00000  -0.00002  -0.00003  -0.00005   1.85605
   A90        2.30158   0.00001   0.00009   0.00019   0.00028   2.30186
   A91        2.15509   0.00001  -0.00006  -0.00015  -0.00022   2.15488
   A92        1.82650  -0.00002  -0.00003  -0.00003  -0.00006   1.82644
   A93        1.91780   0.00002   0.00004  -0.00003   0.00001   1.91782
   A94        2.24990  -0.00003   0.00001  -0.00007  -0.00007   2.24983
   A95        2.11547   0.00002  -0.00005   0.00010   0.00005   2.11552
   A96        1.89969  -0.00001  -0.00001   0.00004   0.00003   1.89971
   A97        2.19050   0.00000  -0.00010  -0.00001  -0.00012   2.19039
   A98        2.19289   0.00001   0.00010  -0.00002   0.00008   2.19297
   A99        1.91536   0.00003  -0.00002   0.00002  -0.00001   1.91535
   A100       2.18891  -0.00001  -0.00005   0.00003  -0.00002   2.18889
   A101       2.17866  -0.00002   0.00007  -0.00005   0.00002   2.17867
   A102       1.86540  -0.00002   0.00001   0.00000   0.00001   1.86541
   A103       2.21222  -0.00008   0.00031  -0.00017   0.00014   2.21237
   A104       2.19023   0.00011  -0.00028   0.00038   0.00010   2.19032
   A105       1.71081  -0.00003   0.00047   0.00046   0.00093   1.71174
   A106       1.55665   0.00006   0.00004   0.00121   0.00126   1.55791
   A107       1.68656  -0.00004  -0.00014   0.00045   0.00030   1.68686
   A108       3.00460  -0.00001  -0.00028  -0.00005  -0.00035   3.00425
   A109       1.66335   0.00003  -0.00043   0.00039  -0.00004   1.66330
   A110       1.71754   0.00009  -0.00019   0.00039   0.00020   1.71774
   A111       1.61336  -0.00004   0.00024   0.00006   0.00030   1.61367
   A112       1.48371   0.00004   0.00009  -0.00011   0.00000   1.48371
   A113       2.90033   0.00001   0.00006  -0.00085  -0.00078   2.89955
   A114       2.91246  -0.00005  -0.00004  -0.00141  -0.00146   2.91100
   A115       1.45198  -0.00007  -0.00021  -0.00119  -0.00140   1.45058
   A116       1.49061  -0.00009  -0.00019  -0.00058  -0.00077   1.48983
   A117       1.57860   0.00005   0.00019  -0.00056  -0.00038   1.57822
   A118       1.43736   0.00004   0.00013  -0.00035  -0.00021   1.43715
   A119       1.43547  -0.00003  -0.00017  -0.00074  -0.00091   1.43455
   A120       2.10606  -0.00004  -0.00013  -0.00066  -0.00079   2.10527
   A121       2.17653   0.00010   0.00038   0.00030   0.00068   2.17722
   A122       1.77643  -0.00007  -0.00025  -0.00123  -0.00148   1.77494
   A123       2.05529   0.00015   0.00042   0.00266   0.00307   2.05835
   A124       2.91938   0.00002  -0.00015  -0.00140  -0.00156   2.91782
   A125       2.13207  -0.00011  -0.00023  -0.00011  -0.00035   2.13173
   A126       2.11364   0.00009   0.00004   0.00026   0.00030   2.11393
   A127       2.03731   0.00002   0.00019  -0.00014   0.00005   2.03736
   A128       2.29591   0.00015   0.00013  -0.00045  -0.00032   2.29559
   A129       2.14698  -0.00007  -0.00026  -0.00017  -0.00043   2.14654
   A130       2.06942   0.00004   0.00011   0.00008   0.00019   2.06961
   A131       2.06654   0.00003   0.00016   0.00007   0.00023   2.06677
   A132       1.97977   0.00007   0.00031   0.00006   0.00037   1.98014
   A133       1.90305   0.00003   0.00007   0.00007   0.00014   1.90319
   A134       1.90213  -0.00003   0.00003   0.00004   0.00007   1.90219
   A135       1.82060  -0.00005  -0.00013  -0.00015  -0.00027   1.82033
   A136       1.94963  -0.00002  -0.00022  -0.00003  -0.00024   1.94939
   A137       1.90589   0.00001  -0.00008   0.00000  -0.00008   1.90582
   A138       2.09807   0.00004   0.00021   0.00006   0.00027   2.09834
   A139       2.03206  -0.00002  -0.00042   0.00012  -0.00030   2.03176
   A140       2.15100  -0.00002   0.00021  -0.00014   0.00007   2.15107
   A141       2.07443  -0.00010  -0.00013   0.00038   0.00025   2.07468
   A142       2.06345  -0.00004  -0.00014   0.00009  -0.00006   2.06340
   A143       2.15974   0.00007   0.00078  -0.00014   0.00064   2.16038
   A144       2.03964  -0.00002  -0.00030   0.00026  -0.00005   2.03959
   A145       1.91359   0.00002   0.00011   0.00005   0.00016   1.91375
   A146       1.89557   0.00001   0.00015  -0.00009   0.00006   1.89563
   A147       1.90506  -0.00003  -0.00021   0.00009  -0.00012   1.90494
   A148       1.91141  -0.00004   0.00002  -0.00014  -0.00012   1.91129
   A149       1.92903   0.00005  -0.00033   0.00028  -0.00005   1.92898
   A150       1.90883  -0.00001   0.00027  -0.00020   0.00006   1.90889
   A151       1.90411   0.00002  -0.00030   0.00018  -0.00012   1.90399
   A152       1.90405  -0.00001   0.00003   0.00000   0.00003   1.90408
   A153       1.97710  -0.00002   0.00005  -0.00007  -0.00002   1.97709
   A154       1.87675  -0.00001   0.00009  -0.00005   0.00004   1.87679
   A155       1.89324   0.00000   0.00006  -0.00003   0.00003   1.89327
   A156       1.90601   0.00001   0.00006  -0.00003   0.00003   1.90604
    D1        3.10981   0.00000  -0.00035   0.00025  -0.00009   3.10972
    D2        1.00547   0.00001  -0.00001   0.00023   0.00023   1.00570
    D3       -1.02012  -0.00001  -0.00020   0.00030   0.00009  -1.02003
    D4        1.01909   0.00001  -0.00025   0.00026   0.00001   1.01910
    D5       -1.08525   0.00001   0.00009   0.00023   0.00032  -1.08493
    D6       -3.11084  -0.00001  -0.00011   0.00030   0.00019  -3.11065
    D7       -1.08998   0.00000  -0.00042   0.00027  -0.00015  -1.09013
    D8        3.08887   0.00000  -0.00008   0.00025   0.00017   3.08903
    D9        1.06327  -0.00001  -0.00028   0.00031   0.00003   1.06330
   D10       -2.12473  -0.00001  -0.00164   0.00137  -0.00027  -2.12500
   D11        1.01827   0.00000  -0.00230   0.00171  -0.00059   1.01769
   D12       -0.00393  -0.00001  -0.00192   0.00132  -0.00060  -0.00452
   D13        3.13907   0.00000  -0.00257   0.00166  -0.00091   3.13816
   D14        2.01268  -0.00002  -0.00175   0.00122  -0.00053   2.01215
   D15       -1.12750  -0.00001  -0.00241   0.00156  -0.00085  -1.12835
   D16       -3.13806  -0.00001   0.00004   0.00038   0.00042  -3.13764
   D17        0.01711   0.00003  -0.00069   0.00097   0.00029   0.01740
   D18        0.00231  -0.00002   0.00061   0.00009   0.00069   0.00301
   D19       -3.12570   0.00003  -0.00012   0.00067   0.00056  -3.12514
   D20        3.13937  -0.00001   0.00022  -0.00081  -0.00059   3.13878
   D21       -0.01810   0.00002   0.00021   0.00019   0.00041  -0.01769
   D22       -0.00114   0.00000  -0.00028  -0.00055  -0.00083  -0.00197
   D23        3.12458   0.00002  -0.00029   0.00045   0.00017   3.12475
   D24       -0.00265   0.00003  -0.00072   0.00042  -0.00030  -0.00295
   D25        3.10655   0.00001   0.00089  -0.00047   0.00044   3.10699
   D26        3.12647  -0.00001  -0.00005  -0.00012  -0.00018   3.12629
   D27       -0.04752  -0.00003   0.00155  -0.00101   0.00056  -0.04696
   D28       -0.00049   0.00002  -0.00016   0.00085   0.00069   0.00020
   D29       -3.13551  -0.00001  -0.00081   0.00034  -0.00047  -3.13597
   D30       -3.12616   0.00000  -0.00016  -0.00016  -0.00031  -3.12648
   D31        0.02201  -0.00003  -0.00081  -0.00066  -0.00147   0.02054
   D32        0.00190  -0.00003   0.00053  -0.00077  -0.00024   0.00166
   D33       -3.10765  -0.00001  -0.00111   0.00011  -0.00100  -3.10865
   D34        3.13674   0.00000   0.00119  -0.00025   0.00094   3.13769
   D35        0.02720   0.00002  -0.00045   0.00063   0.00019   0.02738
   D36        1.96366  -0.00004  -0.00061  -0.00303  -0.00364   1.96002
   D37       -2.60252   0.00006  -0.00079  -0.00246  -0.00325  -2.60577
   D38        0.33318   0.00001  -0.00089  -0.00321  -0.00411   0.32907
   D39       -2.35983   0.00002   0.00305  -0.00042   0.00263  -2.35720
   D40       -1.11358  -0.00003  -0.00097  -0.00294  -0.00391  -1.11749
   D41       -1.21650  -0.00006   0.00134  -0.00408  -0.00274  -1.21925
   D42        0.50050   0.00004   0.00115  -0.00351  -0.00236   0.49814
   D43       -2.84699  -0.00001   0.00105  -0.00427  -0.00321  -2.85020
   D44        0.74319   0.00000   0.00500  -0.00147   0.00352   0.74672
   D45        1.98944  -0.00005   0.00098  -0.00399  -0.00302   1.98642
   D46        1.06040   0.00000  -0.00057   0.00097   0.00040   1.06079
   D47       -3.10013   0.00001  -0.00049   0.00091   0.00042  -3.09972
   D48       -1.04737   0.00001  -0.00042   0.00091   0.00049  -1.04688
   D49       -1.03820  -0.00001  -0.00111   0.00107  -0.00005  -1.03825
   D50        1.08445  -0.00001  -0.00103   0.00100  -0.00003   1.08442
   D51        3.13722   0.00000  -0.00096   0.00101   0.00005   3.13726
   D52       -3.12837  -0.00001  -0.00067   0.00092   0.00025  -3.12812
   D53       -1.00572   0.00000  -0.00059   0.00085   0.00027  -1.00545
   D54        1.04705   0.00001  -0.00052   0.00086   0.00034   1.04739
   D55       -1.08404  -0.00003  -0.00015   0.00005  -0.00010  -1.08414
   D56        1.04193  -0.00001   0.00017   0.00001   0.00018   1.04211
   D57        3.11776  -0.00001   0.00010  -0.00004   0.00005   3.11782
   D58        3.06950   0.00001  -0.00005   0.00018   0.00013   3.06963
   D59       -1.08772   0.00002   0.00027   0.00014   0.00041  -1.08730
   D60        0.98812   0.00002   0.00020   0.00009   0.00028   0.98841
   D61        1.03534  -0.00001  -0.00010   0.00001  -0.00009   1.03525
   D62       -3.12188   0.00000   0.00022  -0.00003   0.00019  -3.12168
   D63       -1.04604   0.00000   0.00015  -0.00008   0.00006  -1.04598
   D64       -0.86886   0.00000   0.00046   0.00207   0.00252  -0.86634
   D65        2.23693  -0.00003   0.00041   0.00138   0.00179   2.23872
   D66       -3.01685   0.00002   0.00025   0.00206   0.00230  -3.01454
   D67        0.08895  -0.00001   0.00020   0.00137   0.00157   0.09052
   D68        1.22222   0.00000   0.00029   0.00225   0.00254   1.22476
   D69       -1.95517  -0.00003   0.00025   0.00156   0.00181  -1.95336
   D70        2.97787   0.00000   0.00057   0.00145   0.00203   2.97989
   D71       -0.12589   0.00003   0.00062   0.00218   0.00280  -0.12310
   D72       -2.98946   0.00002   0.00004  -0.00100  -0.00096  -2.99042
   D73        0.11566  -0.00001  -0.00002  -0.00170  -0.00171   0.11395
   D74        0.01023  -0.00003  -0.00181  -0.00252  -0.00434   0.00589
   D75        0.26732  -0.00003  -0.00068  -0.00164  -0.00231   0.26501
   D76       -1.04796   0.00000   0.00017   0.00056   0.00073  -1.04723
   D77        1.07427   0.00001  -0.00007   0.00084   0.00077   1.07504
   D78        3.09711   0.00002  -0.00022   0.00096   0.00074   3.09785
   D79       -3.13628  -0.00001   0.00011   0.00035   0.00046  -3.13582
   D80       -1.01405  -0.00001  -0.00012   0.00062   0.00050  -1.01355
   D81        1.00879   0.00000  -0.00027   0.00074   0.00047   1.00926
   D82        1.06107   0.00000   0.00013   0.00054   0.00068   1.06175
   D83       -3.09988   0.00000  -0.00010   0.00081   0.00071  -3.09917
   D84       -1.07705   0.00002  -0.00025   0.00094   0.00069  -1.07636
   D85       -0.09519   0.00002  -0.00152  -0.00220  -0.00372  -0.09891
   D86        3.02506   0.00004  -0.00257  -0.00132  -0.00389   3.02117
   D87       -2.21557   0.00000  -0.00141  -0.00249  -0.00391  -2.21948
   D88        0.90468   0.00001  -0.00247  -0.00161  -0.00408   0.90060
   D89        2.03991  -0.00002  -0.00130  -0.00261  -0.00391   2.03600
   D90       -1.12303   0.00000  -0.00236  -0.00172  -0.00408  -1.12711
   D91        3.11872   0.00001  -0.00104   0.00061  -0.00043   3.11829
   D92        0.01498   0.00001  -0.00093   0.00107   0.00014   0.01513
   D93       -0.00425  -0.00001  -0.00012  -0.00017  -0.00028  -0.00454
   D94       -3.10799   0.00000   0.00000   0.00030   0.00029  -3.10770
   D95       -3.11924   0.00001   0.00095   0.00005   0.00100  -3.11824
   D96       -0.00985   0.00001   0.00095  -0.00022   0.00073  -0.00911
   D97        0.00620   0.00002   0.00016   0.00071   0.00087   0.00707
   D98        3.11560   0.00002   0.00016   0.00045   0.00061   3.11620
   D99        0.00075  -0.00002   0.00003  -0.00045  -0.00041   0.00033
   D100      -2.90923   0.00000  -0.00098  -0.00089  -0.00188  -2.91110
   D101       3.10776  -0.00002  -0.00007  -0.00088  -0.00095   3.10681
   D102       0.19778   0.00000  -0.00109  -0.00132  -0.00241   0.19537
   D103      -0.00606  -0.00003  -0.00014  -0.00104  -0.00118  -0.00724
   D104       3.09457  -0.00001   0.00013  -0.00071  -0.00059   3.09398
   D105      -3.11537  -0.00003  -0.00014  -0.00077  -0.00091  -3.11629
   D106      -0.01474  -0.00001   0.00012  -0.00045  -0.00033  -0.01506
   D107       0.00326   0.00003   0.00007   0.00090   0.00097   0.00423
   D108       2.91252   0.00004   0.00112   0.00155   0.00267   2.91520
   D109      -3.09759   0.00000  -0.00020   0.00058   0.00038  -3.09721
   D110      -0.18832   0.00002   0.00086   0.00123   0.00208  -0.18624
   D111      -0.48792   0.00004   0.00159   0.00204   0.00364  -0.48428
   D112      -2.06510  -0.00003   0.00150   0.00068   0.00218  -2.06292
   D113       1.20594  -0.00001   0.00151   0.00253   0.00404   1.20998
   D114       2.78086   0.00004   0.00168   0.00195   0.00363   2.78449
   D115       2.38238  -0.00001   0.00307   0.00263   0.00569   2.38807
   D116       2.92910   0.00005   0.00037   0.00140   0.00177   2.93087
   D117       1.35191  -0.00002   0.00028   0.00004   0.00032   1.35223
   D118      -1.66023   0.00000   0.00028   0.00189   0.00217  -1.65805
   D119      -0.08531   0.00005   0.00046   0.00131   0.00176  -0.08355
   D120      -0.48379   0.00000   0.00184   0.00199   0.00382  -0.47997
   D121      -1.05658  -0.00001   0.00010   0.00001   0.00010  -1.05647
   D122       3.10082   0.00001   0.00011  -0.00009   0.00002   3.10084
   D123       1.07660   0.00001   0.00007   0.00000   0.00007   1.07667
   D124       1.05194  -0.00001   0.00006   0.00001   0.00006   1.05200
   D125      -1.07385   0.00001   0.00007  -0.00009  -0.00002  -1.07387
   D126      -3.09807   0.00001   0.00003   0.00000   0.00003  -3.09804
   D127      -3.13830  -0.00001  -0.00001   0.00000  -0.00001  -3.13831
   D128       1.01910   0.00000   0.00001  -0.00010  -0.00009   1.01901
   D129      -1.00512   0.00000  -0.00003  -0.00001  -0.00004  -1.00516
   D130       0.37081   0.00001  -0.00085   0.00132   0.00048   0.37128
   D131      -2.76335   0.00002  -0.00130   0.00026  -0.00103  -2.76439
   D132       2.49396  -0.00001  -0.00086   0.00142   0.00056   2.49452
   D133      -0.64020   0.00000  -0.00130   0.00036  -0.00094  -0.64114
   D134      -1.75479   0.00000  -0.00088   0.00132   0.00044  -1.75435
   D135       1.39424   0.00000  -0.00133   0.00026  -0.00107   1.39317
   D136      -3.12833   0.00006   0.00018   0.00050   0.00068  -3.12764
   D137       0.00909   0.00003  -0.00025  -0.00026  -0.00051   0.00858
   D138       0.00686   0.00006   0.00056   0.00141   0.00198   0.00884
   D139      -3.13891   0.00002   0.00013   0.00066   0.00079  -3.13812
   D140       3.12865  -0.00003  -0.00014   0.00048   0.00034   3.12899
   D141       0.00203  -0.00001   0.00067   0.00016   0.00082   0.00285
   D142      -0.00722  -0.00003  -0.00048  -0.00034  -0.00082  -0.00804
   D143      -3.13385  -0.00001   0.00032  -0.00066  -0.00034  -3.13419
   D144      -0.00400  -0.00007  -0.00045  -0.00200  -0.00245  -0.00644
   D145       2.95739  -0.00005  -0.00023  -0.00072  -0.00095   2.95644
   D146       3.14139  -0.00003  -0.00005  -0.00131  -0.00136   3.14003
   D147      -0.18040  -0.00001   0.00016  -0.00003   0.00013  -0.18027
   D148       0.00508  -0.00001   0.00022  -0.00091  -0.00068   0.00440
   D149      -3.11292   0.00001   0.00055  -0.00060  -0.00005  -3.11296
   D150       3.13168  -0.00003  -0.00058  -0.00058  -0.00116   3.13052
   D151       0.01368  -0.00001  -0.00025  -0.00027  -0.00053   0.01315
   D152      -0.00071   0.00005   0.00013   0.00176   0.00189   0.00118
   D153      -2.96500   0.00005  -0.00016   0.00057   0.00041  -2.96458
   D154       3.11746   0.00003  -0.00020   0.00145   0.00126   3.11872
   D155       0.15317   0.00003  -0.00048   0.00026  -0.00022   0.15295
   D156      -1.45008   0.00004  -0.00100   0.00098  -0.00003  -1.45011
   D157       0.26016   0.00001  -0.00052   0.00163   0.00110   0.26126
   D158       2.79789   0.00003  -0.00042  -0.00398  -0.00440   2.79349
   D159       1.72457   0.00003  -0.00044   0.00127   0.00085   1.72541
   D160      -3.11488   0.00001  -0.00057   0.00067   0.00010  -3.11478
   D161       1.47928   0.00004  -0.00071   0.00244   0.00172   1.48100
   D162      -3.09366   0.00002  -0.00023   0.00308   0.00285  -3.09081
   D163      -0.55594   0.00004  -0.00013  -0.00252  -0.00265  -0.55859
   D164      -1.62926   0.00004  -0.00014   0.00273   0.00260  -1.62666
   D165      -0.18552   0.00002  -0.00028   0.00213   0.00185  -0.18367
   D166       1.75700  -0.00002   0.00049  -0.00215  -0.00166   1.75534
   D167      -0.58845   0.00003   0.00060   0.00079   0.00140  -0.58705
   D168       0.04011   0.00002  -0.00001  -0.00265  -0.00265   0.03746
   D169      -2.30535   0.00007   0.00011   0.00030   0.00041  -2.30494
   D170      -2.50439  -0.00001  -0.00008   0.00283   0.00275  -2.50164
   D171       1.43334   0.00004   0.00004   0.00578   0.00581   1.43915
   D172      -1.44385  -0.00002  -0.00011  -0.00252  -0.00264  -1.44649
   D173       2.49388   0.00002   0.00001   0.00043   0.00042   2.49430
   D174      -2.87704   0.00002   0.00008  -0.00185  -0.00177  -2.87880
   D175       1.06069   0.00006   0.00020   0.00110   0.00130   1.06199
   D176       1.05360  -0.00002  -0.00505  -0.00220  -0.00724   1.04636
   D177       3.02774   0.00003  -0.00135   0.00044  -0.00092   3.02682
   D178       1.29803  -0.00006  -0.00117  -0.00010  -0.00127   1.29676
   D179      -1.64260  -0.00001  -0.00112   0.00055  -0.00058  -1.64318
   D180      -0.20756   0.00002  -0.00102   0.00025  -0.00077  -0.20832
   D181       2.09519  -0.00001   0.00058  -0.00066  -0.00009   2.09510
   D182      -0.77664   0.00005  -0.00091  -0.00125  -0.00217  -0.77881
   D183      -2.63891   0.00005   0.00064   0.00047   0.00111  -2.63780
   D184       0.41962   0.00004   0.00066  -0.00104  -0.00038   0.41924
   D185      -1.17740  -0.00001   0.00046  -0.00062  -0.00015  -1.17755
   D186      -2.40327  -0.00001   0.00128   0.00320   0.00448  -2.39879
   D187       0.09463   0.00002   0.00143   0.00138   0.00282   0.09745
   D188       2.08081  -0.00002  -0.00062  -0.00095  -0.00156   2.07926
   D189      -0.38189   0.00003  -0.00051   0.00149   0.00099  -0.38089
   D190       0.90233  -0.00004   0.00091  -0.00086   0.00005   0.90238
   D191      -2.25958  -0.00001   0.00066  -0.00052   0.00014  -2.25944
   D192       0.07585   0.00002  -0.00013   0.00081   0.00068   0.07653
   D193      -3.09002   0.00002   0.00022  -0.00023  -0.00001  -3.09003
   D194      -3.04627   0.00000   0.00011   0.00048   0.00059  -3.04567
   D195       0.07105  -0.00001   0.00046  -0.00056  -0.00010   0.07095
   D196      -1.15390  -0.00001   0.00018   0.00021   0.00039  -1.15350
   D197       0.89169  -0.00001   0.00014   0.00025   0.00040   0.89208
   D198       3.01862  -0.00001   0.00028   0.00017   0.00045   3.01907
   D199       1.96844   0.00001  -0.00006   0.00053   0.00047   1.96891
   D200      -2.26916   0.00002  -0.00010   0.00057   0.00047  -2.26869
   D201      -0.14223   0.00001   0.00004   0.00049   0.00053  -0.14170
   D202      -1.44521   0.00001   0.00020  -0.00064  -0.00044  -1.44565
   D203       0.57515   0.00001   0.00027  -0.00074  -0.00047   0.57468
   D204       2.65413   0.00001   0.00023  -0.00068  -0.00044   2.65369
   D205       1.72062   0.00001  -0.00015   0.00040   0.00025   1.72087
   D206      -2.54221   0.00001  -0.00007   0.00030   0.00023  -2.54198
   D207      -0.46322   0.00002  -0.00011   0.00036   0.00025  -0.46297
   D208       0.70191   0.00004  -0.00049   0.00014  -0.00035   0.70156
   D209      -2.50635   0.00004  -0.00055   0.00083   0.00029  -2.50606
   D210      -1.36664   0.00000  -0.00066   0.00012  -0.00054  -1.36718
   D211       1.70828   0.00000  -0.00072   0.00081   0.00010   1.70838
   D212       2.86001   0.00003  -0.00038   0.00021  -0.00017   2.85985
   D213      -0.34825   0.00003  -0.00044   0.00091   0.00047  -0.34778
   D214       0.99796   0.00005   0.00054   0.00150   0.00204   1.00000
   D215      -2.07225   0.00005   0.00062   0.00075   0.00137  -2.07087
   D216      -0.00185   0.00001   0.00194  -0.00033   0.00162  -0.00024
   D217      -2.92092  -0.00003   0.00019  -0.00148  -0.00129  -2.92221
   D218       3.07085   0.00002   0.00189   0.00040   0.00228   3.07313
   D219       0.15178  -0.00002   0.00014  -0.00076  -0.00062   0.15116
   D220      -2.47224   0.00006   0.00167   0.00139   0.00306  -2.46918
   D221      -0.38426   0.00003   0.00185   0.00120   0.00305  -0.38121
   D222       1.69560   0.00001   0.00214   0.00095   0.00310   1.69869
   D223       0.88909   0.00002  -0.00008   0.00027   0.00020   0.88928
   D224       2.97706   0.00000   0.00010   0.00008   0.00018   2.97725
   D225      -1.22626  -0.00003   0.00040  -0.00017   0.00023  -1.22604
         Item               Value     Threshold  Converged?
 Maximum Force            0.000214     0.000450     YES
 RMS     Force            0.000044     0.000300     YES
 Maximum Displacement     0.012992     0.001800     NO 
 RMS     Displacement     0.002919     0.001200     NO 
 Predicted change in Energy=-4.276031D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.066024    2.559097    3.550317
      2          6           0       -3.331238    1.197070    3.645799
      3          6           0       -2.083114    1.120045    2.810658
      4          6           0       -1.701039    0.262869    1.789562
      5          7           0       -1.003471    2.005166    2.964100
      6          6           0       -0.026781    1.666641    2.059976
      7          7           0       -0.417418    0.611042    1.330911
      8          6           0       -5.226590    0.919200    0.137573
      9          6           0       -5.879493   -0.162091   -0.751525
     10          6           0       -5.247611   -1.562762   -0.559956
     11          6           0       -3.772250   -1.563285   -0.952866
     12          8           0       -3.396637   -1.075802   -2.068809
     13          8           0       -2.908651   -2.054852   -0.058009
     14          6           0       -2.242534    4.240371   -2.991277
     15          6           0       -0.953593    3.860610   -3.750028
     16          6           0       -0.159141    2.778332   -3.067194
     17          6           0       -0.299622    2.128094   -1.850564
     18          7           0        0.970274    2.185654   -3.657941
     19          6           0        1.459972    1.218784   -2.814326
     20          7           0        0.710894    1.162021   -1.704822
     21          6           0        4.702004    3.978284    1.492259
     22          6           0        5.163700    2.599592    2.012784
     23          6           0        4.190346    1.505036    1.666216
     24          6           0        3.208408    1.413284    0.690032
     25          7           0        4.119076    0.284839    2.357310
     26          6           0        3.119341   -0.482398    1.803087
     27          7           0        2.550529    0.179967    0.790207
     28         30           0        0.757074   -0.401726   -0.224344
     29          1           0       -4.980910    2.539513    4.153857
     30          1           0       -4.344598    2.780932    2.514308
     31          1           0       -3.445883    3.386281    3.922639
     32          1           0       -4.002836    0.397448    3.315845
     33          1           0       -3.092850    0.986984    4.699275
     34          1           0       -2.255734   -0.556594    1.354920
     35          1           0       -0.960666    2.772312    3.622162
     36          1           0        0.913585    2.184812    1.969694
     37          1           0       -4.160097    1.026859   -0.097336
     38          1           0       -5.320496    0.659639    1.201687
     39          1           0       -5.708887    1.894116   -0.015322
     40          1           0       -6.954401   -0.222605   -0.529344
     41          1           0       -5.777186    0.120710   -1.806444
     42          1           0       -5.341765   -1.902292    0.477951
     43          1           0       -5.772925   -2.285094   -1.200897
     44          1           0       -2.909426    3.376043   -2.890941
     45          1           0       -2.782260    5.024725   -3.533364
     46          1           0       -2.016355    4.621296   -1.987403
     47          1           0       -1.221288    3.526010   -4.763569
     48          1           0       -0.326865    4.757090   -3.873593
     49          1           0       -1.059821    2.261579   -1.099492
     50          1           0        1.342528    2.414603   -4.570943
     51          1           0        2.295991    0.573177   -3.026403
     52          1           0        4.603646    3.978404    0.399941
     53          1           0        3.735091    4.261929    1.925024
     54          1           0        5.433222    4.749678    1.758226
     55          1           0        5.292008    2.646957    3.104141
     56          1           0        6.154297    2.367830    1.594415
     57          1           0        2.930593    2.134869   -0.060120
     58          1           0        4.698849    0.019925    3.143686
     59          1           0        2.819784   -1.459525    2.144903
     60          8           0       -0.793838   -1.384408   -1.087421
     61          1           0       -1.202173   -1.046581   -1.915427
     62          1           0       -1.677147   -1.771290   -0.543126
     63          6           0        2.975166   -2.524411   -1.575790
     64          8           0        2.280215   -1.471210   -1.702209
     65          7           0        2.426605   -3.715687   -1.190763
     66          6           0        0.988201   -3.901592   -0.983459
     67          6           0        0.506122   -3.444671    0.401223
     68          8           0        0.969849   -2.375749    0.922680
     69          7           0       -0.468374   -4.183712    0.971578
     70          1           0        0.439375   -3.261635   -1.686342
     71          1           0        0.732957   -4.949102   -1.175600
     72          1           0        3.038963   -4.512350   -1.062989
     73          1           0       -0.822401   -4.986715    0.461815
     74          6           0       -1.235830   -3.755208    2.157098
     75          1           0       -1.412742   -4.614848    2.811606
     76          1           0       -0.656109   -3.001522    2.693768
     77          1           0       -2.187048   -3.318191    1.830999
     78          6           0        4.463898   -2.522625   -1.873652
     79          1           0        4.615163   -2.341628   -2.944474
     80          1           0        4.936884   -1.698741   -1.329943
     81          1           0        4.959622   -3.461695   -1.607067
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968667      0.0727519      0.0659482
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.0879477441 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33679 LenP2D=  122069.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000238    0.000035   -0.000616 Ang=  -0.08 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97579846     A.U. after    9 cycles
            NFock=  9  Conv=0.57D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33679 LenP2D=  122069.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000010252   -0.000076544   -0.000027451
      3        6           0.000078678   -0.000096203   -0.000019844
      4        6          -0.000248456    0.000124447   -0.000039826
      5        7           0.000048825    0.000017375    0.000017115
      6        6          -0.000014041    0.000086705   -0.000005660
      7        7           0.000108199   -0.000105351   -0.000071567
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000007319   -0.000060759    0.000011388
     10        6          -0.000076186    0.000045669    0.000014705
     11        6           0.000168871    0.000016600    0.000019840
     12        8          -0.000204954   -0.000123361   -0.000098964
     13        8          -0.000040995    0.000084732   -0.000000026
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000003877   -0.000005137   -0.000053222
     16        6           0.000045156    0.000043493    0.000076051
     17        6          -0.000014108   -0.000066841   -0.000030202
     18        7          -0.000017931    0.000042885   -0.000095374
     19        6          -0.000009643   -0.000041813    0.000019388
     20        7           0.000148218    0.000135377    0.000050389
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000020582   -0.000028678   -0.000012856
     23        6          -0.000121805   -0.000000861   -0.000124432
     24        6           0.000195338   -0.000020918    0.000205848
     25        7          -0.000023985    0.000011275    0.000006999
     26        6           0.000038469   -0.000085048    0.000063525
     27        7          -0.000183521    0.000207922   -0.000103446
     28       30           0.000032066   -0.000315344    0.000021051
     29        1           0.000022417    0.000024174    0.000013654
     30        1           0.000033900   -0.000028618   -0.000061455
     31        1          -0.000020825   -0.000046693    0.000018575
     32        1           0.000028870    0.000074668   -0.000031521
     33        1          -0.000055989    0.000036395    0.000083848
     34        1          -0.000010402   -0.000034192    0.000023871
     35        1          -0.000001441    0.000044103    0.000038451
     36        1           0.000013964    0.000009133   -0.000004037
     37        1          -0.000010017   -0.000017594    0.000010050
     38        1          -0.000011609    0.000009222    0.000021604
     39        1           0.000005335   -0.000010948   -0.000008706
     40        1           0.000000506   -0.000004506    0.000011048
     41        1          -0.000002048    0.000012252    0.000003266
     42        1           0.000004532   -0.000017080    0.000007167
     43        1           0.000010380   -0.000019599   -0.000008196
     44        1           0.000009347   -0.000000238    0.000006647
     45        1          -0.000001389    0.000006945    0.000001452
     46        1          -0.000020324   -0.000009533    0.000012088
     47        1           0.000001466    0.000005656    0.000012887
     48        1          -0.000009473   -0.000010662    0.000020671
     49        1           0.000001822    0.000003270   -0.000006607
     50        1           0.000003604   -0.000018099    0.000007407
     51        1          -0.000007988   -0.000002377    0.000004448
     52        1           0.000001276   -0.000008275   -0.000011195
     53        1          -0.000015995    0.000009732   -0.000004281
     54        1          -0.000010719   -0.000013294    0.000004972
     55        1           0.000012988    0.000008961    0.000009183
     56        1          -0.000006395   -0.000007596    0.000013554
     57        1          -0.000027862   -0.000015004   -0.000010438
     58        1           0.000004166    0.000003541    0.000005373
     59        1           0.000011137   -0.000005340   -0.000007835
     60        8          -0.000104454    0.000341397    0.000072134
     61        1           0.000277505    0.000072173   -0.000029995
     62        1           0.000016992   -0.000302651    0.000038133
     63        6          -0.000068577   -0.000279440   -0.000142686
     64        8          -0.000142466    0.000175061    0.000023600
     65        7          -0.000035271    0.000175309    0.000073379
     66        6           0.000049358   -0.000071684   -0.000005585
     67        6          -0.000129798    0.000080756   -0.000066980
     68        8           0.000068065   -0.000064815    0.000049975
     69        7           0.000010174   -0.000022913   -0.000065836
     70        1          -0.000011835    0.000004462    0.000003526
     71        1           0.000004661   -0.000002275    0.000004346
     72        1           0.000008716    0.000017172   -0.000025227
     73        1           0.000018185   -0.000015996   -0.000006559
     74        6           0.000103286    0.000101797    0.000033306
     75        1          -0.000062111   -0.000031248    0.000024724
     76        1           0.000015523   -0.000021436    0.000002803
     77        1          -0.000016832   -0.000056833    0.000004104
     78        6           0.000090457    0.000047646    0.000014270
     79        1          -0.000022123   -0.000011795    0.000003603
     80        1          -0.000003161   -0.000009149    0.000004023
     81        1          -0.000002060    0.000012847   -0.000001913
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000341397 RMS     0.000072764

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000176946 RMS     0.000033439
 Search for a local minimum.
 Step number  37 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37
 DE= -5.45D-06 DEPred=-4.28D-06 R= 1.27D+00
 TightC=F SS=  1.41D+00  RLast= 2.92D-02 DXNew= 5.0454D+00 8.7624D-02
 Trust test= 1.27D+00 RLast= 2.92D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00087   0.00099   0.00193   0.00230   0.00230
     Eigenvalues ---    0.00232   0.00240   0.00280   0.00386   0.00490
     Eigenvalues ---    0.00507   0.00538   0.00636   0.00675   0.00704
     Eigenvalues ---    0.00789   0.00815   0.00854   0.00883   0.00941
     Eigenvalues ---    0.01136   0.01233   0.01289   0.01361   0.01438
     Eigenvalues ---    0.01517   0.01654   0.01750   0.01759   0.01794
     Eigenvalues ---    0.01819   0.01847   0.01920   0.01928   0.01999
     Eigenvalues ---    0.02039   0.02077   0.02137   0.02243   0.02286
     Eigenvalues ---    0.02329   0.02428   0.02489   0.02721   0.02785
     Eigenvalues ---    0.02974   0.03448   0.03644   0.03867   0.03940
     Eigenvalues ---    0.04086   0.04147   0.04206   0.04402   0.04572
     Eigenvalues ---    0.04682   0.04841   0.05013   0.05201   0.05303
     Eigenvalues ---    0.05358   0.05381   0.05388   0.05394   0.05436
     Eigenvalues ---    0.05454   0.05508   0.05511   0.05528   0.05542
     Eigenvalues ---    0.05660   0.06116   0.06314   0.06873   0.06944
     Eigenvalues ---    0.07374   0.07482   0.07661   0.07891   0.08303
     Eigenvalues ---    0.08530   0.08823   0.09253   0.09326   0.09477
     Eigenvalues ---    0.09681   0.10013   0.10281   0.10610   0.11019
     Eigenvalues ---    0.12003   0.12207   0.12505   0.12829   0.12929
     Eigenvalues ---    0.13022   0.13383   0.14223   0.14572   0.14936
     Eigenvalues ---    0.15223   0.15802   0.15859   0.15906   0.15976
     Eigenvalues ---    0.15981   0.15984   0.15989   0.15994   0.15999
     Eigenvalues ---    0.15999   0.16000   0.16001   0.16003   0.16006
     Eigenvalues ---    0.16008   0.16009   0.16012   0.16022   0.16033
     Eigenvalues ---    0.16041   0.16051   0.16077   0.16091   0.16137
     Eigenvalues ---    0.16142   0.16240   0.16317   0.16372   0.16438
     Eigenvalues ---    0.16468   0.18034   0.20417   0.20702   0.21131
     Eigenvalues ---    0.21494   0.22246   0.22371   0.22474   0.22767
     Eigenvalues ---    0.22932   0.23031   0.23163   0.23579   0.23835
     Eigenvalues ---    0.24010   0.24262   0.24420   0.24739   0.25093
     Eigenvalues ---    0.25305   0.26432   0.27343   0.27683   0.28123
     Eigenvalues ---    0.28223   0.28375   0.28768   0.29876   0.30280
     Eigenvalues ---    0.30829   0.31021   0.31558   0.31643   0.31926
     Eigenvalues ---    0.33522   0.33618   0.33631   0.33662   0.33671
     Eigenvalues ---    0.33768   0.33802   0.33858   0.33867   0.33916
     Eigenvalues ---    0.33930   0.33936   0.33984   0.33997   0.34007
     Eigenvalues ---    0.34031   0.34055   0.34081   0.34088   0.34131
     Eigenvalues ---    0.34166   0.34179   0.34191   0.34198   0.34240
     Eigenvalues ---    0.34302   0.34344   0.34402   0.34677   0.35353
     Eigenvalues ---    0.35644   0.35764   0.36160   0.36237   0.36341
     Eigenvalues ---    0.36513   0.36542   0.37879   0.39090   0.39567
     Eigenvalues ---    0.39900   0.42295   0.42617   0.42798   0.43872
     Eigenvalues ---    0.45311   0.45439   0.45449   0.45551   0.45583
     Eigenvalues ---    0.45607   0.45654   0.46349   0.48835   0.49219
     Eigenvalues ---    0.49532   0.49808   0.50288   0.52570   0.54529
     Eigenvalues ---    0.54855   0.55081   0.56637   0.66164   0.73141
     Eigenvalues ---    0.766231000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    37   36   35   34   33
 RFO step:  Lambda=-1.63620596D-06.
 DidBck=F Rises=F RFO-DIIS coefs:    1.43207    0.09701   -1.15394    0.42577    0.19909
 Iteration  1 RMS(Cart)=  0.00575676 RMS(Int)=  0.00001591
 Iteration  2 RMS(Cart)=  0.00002116 RMS(Int)=  0.00001199
 Iteration  3 RMS(Cart)=  0.00000012 RMS(Int)=  0.00001199
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00001   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00002   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498  -0.00003   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00002   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00008   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00005   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00001   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00001   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00003   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00004   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468  -0.00002   0.00000   0.00000   0.00000   4.09468
    R1        2.93008   0.00008   0.00049  -0.00019   0.00028   2.93036
    R2        2.07152   0.00003   0.00002  -0.00001   0.00002   2.07154
    R3        2.07020   0.00008   0.00032  -0.00005   0.00028   2.07048
    R4        2.07649   0.00005   0.00022   0.00001   0.00023   2.07672
    R5        2.84164   0.00001   0.00017  -0.00013   0.00004   2.84168
    R6        2.06949   0.00009   0.00031  -0.00005   0.00026   2.06975
    R7        2.07937   0.00010   0.00036  -0.00003   0.00033   2.07969
    R8        2.62078   0.00009   0.00019  -0.00007   0.00012   2.62090
    R9        2.65412  -0.00008  -0.00021   0.00006  -0.00015   2.65397
   R10        2.65859  -0.00008  -0.00030  -0.00011  -0.00042   2.65817
   R11        2.04241  -0.00004  -0.00006  -0.00006  -0.00012   2.04229
   R12        2.59517   0.00003   0.00015   0.00008   0.00024   2.59540
   R13        1.91170   0.00001   0.00000   0.00001   0.00002   1.91171
   R14        2.53422  -0.00003  -0.00006   0.00001  -0.00005   2.53417
   R15        2.03612  -0.00002  -0.00004   0.00000  -0.00004   2.03608
   R16        4.15050  -0.00004  -0.00178  -0.00019  -0.00197   4.14853
   R17        2.91898  -0.00006  -0.00025   0.00019  -0.00005   2.91893
   R18        2.07369   0.00001  -0.00006   0.00000  -0.00005   2.07365
   R19        2.07743   0.00002   0.00008   0.00000   0.00007   2.07750
   R20        2.07564   0.00001   0.00024  -0.00011   0.00012   2.07576
   R21        2.92624   0.00000  -0.00002   0.00016   0.00015   2.92639
   R22        2.07737   0.00000   0.00001   0.00000   0.00001   2.07738
   R23        2.07293  -0.00001  -0.00007  -0.00001  -0.00009   2.07285
   R24        2.88520  -0.00004  -0.00004   0.00001  -0.00002   2.88518
   R25        2.07130   0.00000   0.00006  -0.00005   0.00001   2.07131
   R26        2.07743   0.00000   0.00000  -0.00002  -0.00002   2.07741
   R27        2.40824   0.00010   0.00021   0.00009   0.00031   2.40854
   R28        2.52702   0.00009   0.00015   0.00016   0.00031   2.52733
   R29        4.15742  -0.00018  -0.00662  -0.00429  -0.01090   4.14652
   R30        2.55801   0.00004   0.00009  -0.00022  -0.00013   2.55789
   R31        2.91612   0.00000   0.00027  -0.00017   0.00007   2.91619
   R32        2.07171   0.00000   0.00001   0.00001   0.00003   2.07173
   R33        2.07041  -0.00001  -0.00004   0.00002  -0.00002   2.07039
   R34        2.07356   0.00002   0.00000   0.00005   0.00006   2.07362
   R35        2.84637   0.00000   0.00005  -0.00004   0.00000   2.84637
   R36        2.07946  -0.00001   0.00001  -0.00005  -0.00004   2.07942
   R37        2.08019   0.00001   0.00004   0.00004   0.00009   2.08027
   R38        2.62034  -0.00003   0.00001  -0.00001   0.00002   2.62036
   R39        2.65628   0.00004  -0.00014   0.00006  -0.00008   2.65620
   R40        2.65618   0.00001  -0.00007  -0.00001  -0.00008   2.65610
   R41        2.03515   0.00000   0.00001  -0.00002  -0.00001   2.03514
   R42        2.59542   0.00000   0.00008  -0.00010  -0.00003   2.59539
   R43        1.91279   0.00000   0.00001   0.00000   0.00001   1.91280
   R44        2.53205   0.00003   0.00009   0.00004   0.00013   2.53217
   R45        2.03592   0.00001   0.00001   0.00003   0.00004   2.03596
   R46        4.07027  -0.00003  -0.00088  -0.00125  -0.00212   4.06815
   R47        2.91833  -0.00002  -0.00024   0.00007  -0.00016   2.91816
   R48        2.07253   0.00001   0.00003  -0.00001   0.00003   2.07256
   R49        2.07239  -0.00001   0.00009  -0.00004   0.00004   2.07242
   R50        2.07049   0.00002   0.00004   0.00000   0.00004   2.07054
   R51        2.84439   0.00000   0.00009  -0.00002   0.00007   2.84445
   R52        2.07850   0.00001   0.00002   0.00001   0.00003   2.07853
   R53        2.07872   0.00000  -0.00001   0.00001   0.00000   2.07872
   R54        2.62227   0.00000   0.00008  -0.00007  -0.00001   2.62226
   R55        2.65341   0.00000   0.00010  -0.00001   0.00009   2.65351
   R56        2.64826   0.00004   0.00015   0.00010   0.00024   2.64850
   R57        2.03582   0.00000   0.00002   0.00001   0.00003   2.03584
   R58        2.60157   0.00000  -0.00002  -0.00001  -0.00003   2.60155
   R59        1.91293   0.00000   0.00000  -0.00001  -0.00001   1.91292
   R60        2.52701  -0.00002  -0.00008  -0.00003  -0.00011   2.52690
   R61        2.03648  -0.00001  -0.00004  -0.00001  -0.00005   2.03643
   R62        4.04603   0.00005   0.00171  -0.00001   0.00169   4.04772
   R63        3.83381   0.00009   0.00122   0.00054   0.00176   3.83557
   R64        4.49097   0.00014   0.00743   0.00370   0.01112   4.50209
   R65        4.33308  -0.00006  -0.00279  -0.00131  -0.00410   4.32898
   R66        1.85776   0.00010   0.00019   0.00016   0.00035   1.85811
   R67        2.09254  -0.00014  -0.00003  -0.00032  -0.00036   2.09218
   R68        2.39643  -0.00005  -0.00009  -0.00014  -0.00024   2.39619
   R69        2.58299   0.00015   0.00045   0.00013   0.00060   2.58359
   R70        2.86905  -0.00008  -0.00018  -0.00007  -0.00025   2.86880
   R71        2.76865   0.00001  -0.00016   0.00005  -0.00010   2.76855
   R72        1.91412   0.00000   0.00000   0.00000   0.00000   1.91412
   R73        2.90214   0.00000   0.00016  -0.00017  -0.00001   2.90214
   R74        2.07423  -0.00001  -0.00002  -0.00003  -0.00005   2.07418
   R75        2.06953   0.00000   0.00004   0.00000   0.00004   2.06957
   R76        2.41231   0.00005   0.00014   0.00006   0.00019   2.41250
   R77        2.55017  -0.00001  -0.00018   0.00010  -0.00007   2.55010
   R78        1.91787   0.00000  -0.00001  -0.00002  -0.00003   1.91784
   R79        2.78891   0.00008  -0.00009   0.00023   0.00014   2.78905
   R80        2.06893  -0.00001   0.00001   0.00000   0.00001   2.06895
   R81        2.06330   0.00001   0.00007  -0.00005   0.00002   2.06332
   R82        2.07194  -0.00001   0.00006  -0.00005   0.00001   2.07194
   R83        2.07207   0.00000   0.00006  -0.00002   0.00003   2.07211
   R84        2.06847   0.00001  -0.00004   0.00004   0.00000   2.06847
   R85        2.06894   0.00001   0.00003   0.00000   0.00003   2.06897
    A1        1.92401  -0.00002  -0.00013  -0.00002  -0.00015   1.92386
    A2        1.93544   0.00001   0.00006  -0.00003   0.00003   1.93548
    A3        1.95299   0.00000   0.00010  -0.00004   0.00007   1.95306
    A4        1.88816   0.00000  -0.00012   0.00010  -0.00002   1.88814
    A5        1.87330   0.00001  -0.00002   0.00006   0.00003   1.87333
    A6        1.88758  -0.00001   0.00010  -0.00007   0.00003   1.88760
    A7        1.98683  -0.00002   0.00001   0.00007   0.00008   1.98690
    A8        1.90945   0.00001   0.00000  -0.00015  -0.00015   1.90931
    A9        1.90640   0.00002   0.00004   0.00015   0.00019   1.90659
   A10        1.87998   0.00001   0.00005  -0.00007  -0.00002   1.87997
   A11        1.91997  -0.00001  -0.00012  -0.00004  -0.00016   1.91981
   A12        1.85658  -0.00001   0.00002   0.00003   0.00005   1.85663
   A13        2.30397   0.00009   0.00016  -0.00012   0.00004   2.30401
   A14        2.14728  -0.00009  -0.00015   0.00006  -0.00009   2.14719
   A15        1.83193  -0.00001  -0.00001   0.00006   0.00005   1.83198
   A16        1.91605   0.00000  -0.00008   0.00002  -0.00007   1.91597
   A17        2.24378   0.00000   0.00010  -0.00018  -0.00007   2.24370
   A18        2.12328   0.00000  -0.00002   0.00015   0.00014   2.12342
   A19        1.89592  -0.00001   0.00007  -0.00011  -0.00004   1.89588
   A20        2.19136  -0.00003  -0.00012  -0.00004  -0.00016   2.19121
   A21        2.19580   0.00004   0.00006   0.00015   0.00021   2.19601
   A22        1.92281   0.00002  -0.00019   0.00002  -0.00018   1.92263
   A23        2.16195  -0.00001   0.00014   0.00000   0.00014   2.16209
   A24        2.19842  -0.00001   0.00006  -0.00002   0.00004   2.19846
   A25        1.85807   0.00000   0.00021   0.00001   0.00024   1.85831
   A26        2.22010  -0.00010  -0.00038   0.00016  -0.00019   2.21992
   A27        2.20453   0.00010   0.00006  -0.00019  -0.00008   2.20445
   A28        1.93506   0.00002   0.00056  -0.00016   0.00039   1.93545
   A29        1.93453   0.00000  -0.00001  -0.00002  -0.00003   1.93450
   A30        1.93436  -0.00001  -0.00026   0.00006  -0.00020   1.93416
   A31        1.88956  -0.00001   0.00029  -0.00014   0.00015   1.88971
   A32        1.88585  -0.00001  -0.00030   0.00011  -0.00019   1.88566
   A33        1.88263   0.00001  -0.00030   0.00016  -0.00013   1.88250
   A34        1.97089  -0.00003  -0.00014   0.00012  -0.00001   1.97088
   A35        1.91294  -0.00001  -0.00036  -0.00002  -0.00039   1.91255
   A36        1.91097   0.00002   0.00027  -0.00004   0.00023   1.91120
   A37        1.90097   0.00001   0.00009   0.00001   0.00010   1.90107
   A38        1.89032   0.00000  -0.00013   0.00000  -0.00013   1.89018
   A39        1.87523   0.00000   0.00030  -0.00008   0.00022   1.87545
   A40        1.94206   0.00000  -0.00041   0.00023  -0.00016   1.94189
   A41        1.94152  -0.00002   0.00013  -0.00024  -0.00011   1.94141
   A42        1.90416  -0.00001   0.00029  -0.00007   0.00022   1.90438
   A43        1.90349   0.00001   0.00023  -0.00011   0.00012   1.90361
   A44        1.88756   0.00000  -0.00018   0.00015  -0.00004   1.88752
   A45        1.88336   0.00001  -0.00007   0.00004  -0.00003   1.88333
   A46        2.10602   0.00007  -0.00029   0.00023  -0.00005   2.10597
   A47        2.03977  -0.00004   0.00018  -0.00008   0.00009   2.03986
   A48        2.13679  -0.00003   0.00010  -0.00013  -0.00004   2.13675
   A49        1.81113  -0.00003   0.00031  -0.00005   0.00027   1.81140
   A50        1.84493   0.00002  -0.00053   0.00020  -0.00032   1.84460
   A51        1.93808   0.00002   0.00007   0.00016   0.00023   1.93831
   A52        1.92237   0.00001  -0.00008  -0.00004  -0.00011   1.92226
   A53        1.94239  -0.00003  -0.00012  -0.00012  -0.00024   1.94215
   A54        1.88603  -0.00001   0.00029  -0.00006   0.00023   1.88626
   A55        1.89163   0.00000  -0.00011   0.00006  -0.00006   1.89157
   A56        1.88144   0.00001  -0.00004   0.00000  -0.00004   1.88140
   A57        1.97630  -0.00001   0.00031  -0.00012   0.00020   1.97650
   A58        1.90129   0.00001   0.00018   0.00007   0.00025   1.90154
   A59        1.90745  -0.00001  -0.00038  -0.00007  -0.00045   1.90700
   A60        1.90433   0.00000  -0.00023   0.00016  -0.00007   1.90426
   A61        1.91321   0.00000   0.00007  -0.00011  -0.00004   1.91317
   A62        1.85745   0.00001   0.00002   0.00009   0.00011   1.85757
   A63        2.32029   0.00002   0.00030  -0.00007   0.00026   2.32055
   A64        2.13676  -0.00003  -0.00030   0.00001  -0.00032   2.13644
   A65        1.82598   0.00001  -0.00001   0.00007   0.00006   1.82604
   A66        1.91818   0.00001   0.00001  -0.00006  -0.00006   1.91812
   A67        2.24631  -0.00001  -0.00014  -0.00007  -0.00020   2.24610
   A68        2.11806   0.00000   0.00012   0.00010   0.00023   2.11829
   A69        1.90198  -0.00002   0.00008  -0.00007   0.00002   1.90200
   A70        2.18855   0.00000  -0.00006   0.00002  -0.00004   2.18851
   A71        2.19216   0.00002   0.00000   0.00006   0.00007   2.19222
   A72        1.91677   0.00001  -0.00013   0.00006  -0.00007   1.91670
   A73        2.18661   0.00000   0.00019  -0.00004   0.00015   2.18676
   A74        2.17905  -0.00001  -0.00005  -0.00005  -0.00010   2.17895
   A75        1.86183  -0.00002   0.00004   0.00001   0.00005   1.86188
   A76        2.19651   0.00007   0.00042   0.00077   0.00126   2.19777
   A77        2.19929  -0.00005  -0.00032  -0.00057  -0.00092   2.19837
   A78        1.94186   0.00001   0.00014   0.00000   0.00014   1.94201
   A79        1.94066  -0.00002  -0.00008  -0.00003  -0.00011   1.94055
   A80        1.92538   0.00000   0.00026  -0.00012   0.00014   1.92551
   A81        1.89013   0.00000  -0.00011   0.00006  -0.00004   1.89008
   A82        1.87711   0.00000  -0.00005   0.00001  -0.00005   1.87706
   A83        1.88655   0.00001  -0.00017   0.00008  -0.00008   1.88646
   A84        1.95872  -0.00003   0.00009   0.00010   0.00017   1.95888
   A85        1.90803   0.00000  -0.00007   0.00000  -0.00007   1.90796
   A86        1.90618   0.00001   0.00007   0.00004   0.00012   1.90630
   A87        1.91263  -0.00001  -0.00019  -0.00007  -0.00026   1.91237
   A88        1.91937   0.00002   0.00016  -0.00009   0.00007   1.91945
   A89        1.85605   0.00000  -0.00007   0.00002  -0.00005   1.85600
   A90        2.30186  -0.00001   0.00032   0.00015   0.00046   2.30231
   A91        2.15488   0.00001  -0.00033  -0.00009  -0.00041   2.15447
   A92        1.82644   0.00000   0.00000  -0.00005  -0.00006   1.82639
   A93        1.91782   0.00001  -0.00002   0.00010   0.00009   1.91790
   A94        2.24983  -0.00003  -0.00004  -0.00015  -0.00019   2.24964
   A95        2.11552   0.00002   0.00006   0.00005   0.00011   2.11563
   A96        1.89971  -0.00002  -0.00006   0.00002  -0.00004   1.89968
   A97        2.19039   0.00001  -0.00009   0.00000  -0.00009   2.19030
   A98        2.19297   0.00000   0.00013  -0.00002   0.00011   2.19308
   A99        1.91535   0.00004   0.00013   0.00006   0.00018   1.91553
   A100       2.18889  -0.00001  -0.00012   0.00010  -0.00003   2.18886
   A101       2.17867  -0.00003   0.00000  -0.00013  -0.00013   2.17854
   A102       1.86541  -0.00003  -0.00006  -0.00011  -0.00017   1.86525
   A103       2.21237  -0.00006  -0.00021  -0.00005  -0.00028   2.21209
   A104       2.19032   0.00008   0.00025   0.00005   0.00032   2.19065
   A105       1.71174  -0.00002   0.00023   0.00029   0.00053   1.71228
   A106       1.55791   0.00002   0.00175   0.00033   0.00205   1.55996
   A107       1.68686  -0.00001   0.00074  -0.00021   0.00057   1.68743
   A108       3.00425  -0.00001  -0.00019  -0.00006  -0.00022   3.00403
   A109       1.66330   0.00002   0.00048  -0.00014   0.00036   1.66367
   A110       1.71774   0.00007   0.00038   0.00109   0.00147   1.71921
   A111       1.61367  -0.00003  -0.00050  -0.00011  -0.00066   1.61301
   A112       1.48371   0.00003  -0.00004   0.00048   0.00040   1.48412
   A113       2.89955   0.00000  -0.00083  -0.00033  -0.00112   2.89842
   A114       2.91100  -0.00004  -0.00134  -0.00098  -0.00231   2.90869
   A115       1.45058  -0.00004  -0.00186  -0.00022  -0.00210   1.44849
   A116       1.48983  -0.00006  -0.00056  -0.00047  -0.00098   1.48885
   A117       1.57822   0.00002  -0.00066  -0.00008  -0.00074   1.57747
   A118       1.43715   0.00003   0.00003  -0.00057  -0.00054   1.43660
   A119       1.43455  -0.00002  -0.00063  -0.00056  -0.00118   1.43338
   A120       2.10527  -0.00001   0.00016  -0.00130  -0.00114   2.10413
   A121       2.17722   0.00005  -0.00085   0.00132   0.00044   2.17765
   A122       1.77494  -0.00006  -0.00145  -0.00080  -0.00223   1.77271
   A123       2.05835   0.00010   0.00239   0.00181   0.00419   2.06255
   A124       2.91782   0.00000  -0.00048  -0.00091  -0.00140   2.91642
   A125       2.13173  -0.00010  -0.00059  -0.00016  -0.00076   2.13097
   A126       2.11393   0.00009   0.00040   0.00026   0.00066   2.11460
   A127       2.03736   0.00001   0.00019  -0.00010   0.00010   2.03746
   A128       2.29559   0.00011  -0.00010   0.00025   0.00013   2.29572
   A129       2.14654  -0.00007  -0.00060  -0.00025  -0.00085   2.14569
   A130       2.06961   0.00005   0.00038   0.00009   0.00047   2.07008
   A131       2.06677   0.00002   0.00020   0.00013   0.00033   2.06710
   A132       1.98014   0.00003   0.00049   0.00019   0.00069   1.98083
   A133       1.90319   0.00000   0.00007   0.00007   0.00013   1.90332
   A134       1.90219  -0.00001   0.00011  -0.00005   0.00006   1.90226
   A135       1.82033   0.00000  -0.00017  -0.00013  -0.00030   1.82003
   A136       1.94939  -0.00001  -0.00042  -0.00004  -0.00047   1.94891
   A137       1.90582   0.00000  -0.00009  -0.00003  -0.00013   1.90569
   A138       2.09834   0.00006   0.00054   0.00000   0.00053   2.09887
   A139       2.03176   0.00004  -0.00028  -0.00002  -0.00030   2.03146
   A140       2.15107  -0.00010  -0.00028  -0.00004  -0.00031   2.15075
   A141       2.07468  -0.00012  -0.00019   0.00082   0.00063   2.07531
   A142       2.06340   0.00003   0.00018  -0.00012   0.00006   2.06345
   A143       2.16038  -0.00005   0.00041   0.00009   0.00050   2.16088
   A144       2.03959   0.00003  -0.00005  -0.00001  -0.00007   2.03952
   A145       1.91375   0.00000  -0.00012   0.00026   0.00015   1.91390
   A146       1.89563  -0.00001   0.00006  -0.00013  -0.00007   1.89557
   A147       1.90494   0.00000  -0.00015   0.00003  -0.00012   1.90483
   A148       1.91129  -0.00002  -0.00009  -0.00013  -0.00022   1.91107
   A149       1.92898   0.00005   0.00035   0.00005   0.00040   1.92938
   A150       1.90889  -0.00003  -0.00005  -0.00009  -0.00015   1.90874
   A151       1.90399   0.00004  -0.00001   0.00014   0.00013   1.90412
   A152       1.90408   0.00000   0.00000   0.00006   0.00006   1.90414
   A153       1.97709  -0.00002  -0.00008  -0.00003  -0.00011   1.97697
   A154       1.87679  -0.00002   0.00002  -0.00011  -0.00008   1.87670
   A155       1.89327  -0.00001  -0.00003   0.00001  -0.00002   1.89325
   A156       1.90604   0.00000   0.00010  -0.00007   0.00003   1.90607
    D1        3.10972   0.00001   0.00001   0.00024   0.00025   3.10997
    D2        1.00570   0.00000  -0.00007   0.00039   0.00032   1.00602
    D3       -1.02003  -0.00001  -0.00011   0.00035   0.00024  -1.01979
    D4        1.01910   0.00001   0.00020   0.00015   0.00035   1.01944
    D5       -1.08493   0.00000   0.00013   0.00029   0.00042  -1.08450
    D6       -3.11065  -0.00001   0.00009   0.00025   0.00034  -3.11031
    D7       -1.09013   0.00001  -0.00004   0.00028   0.00024  -1.08990
    D8        3.08903   0.00000  -0.00011   0.00043   0.00031   3.08934
    D9        1.06330  -0.00001  -0.00015   0.00038   0.00023   1.06353
   D10       -2.12500  -0.00002  -0.00224   0.00115  -0.00109  -2.12609
   D11        1.01769   0.00001  -0.00153   0.00151  -0.00002   1.01767
   D12       -0.00452  -0.00001  -0.00220   0.00096  -0.00124  -0.00576
   D13        3.13816   0.00002  -0.00149   0.00132  -0.00017   3.13799
   D14        2.01215  -0.00002  -0.00221   0.00094  -0.00128   2.01087
   D15       -1.12835   0.00001  -0.00150   0.00130  -0.00020  -1.12855
   D16       -3.13764  -0.00003   0.00045  -0.00006   0.00040  -3.13724
   D17        0.01740   0.00001   0.00048   0.00074   0.00120   0.01860
   D18        0.00301  -0.00005  -0.00017  -0.00037  -0.00054   0.00247
   D19       -3.12514  -0.00001  -0.00014   0.00042   0.00027  -3.12487
   D20        3.13878   0.00002  -0.00072   0.00025  -0.00048   3.13830
   D21       -0.01769   0.00002   0.00060   0.00031   0.00091  -0.01678
   D22       -0.00197   0.00003  -0.00018   0.00053   0.00035  -0.00163
   D23        3.12475   0.00004   0.00114   0.00059   0.00173   3.12648
   D24       -0.00295   0.00005   0.00045   0.00008   0.00053  -0.00242
   D25        3.10699   0.00003   0.00005  -0.00053  -0.00055   3.10644
   D26        3.12629   0.00001   0.00043  -0.00066  -0.00021   3.12608
   D27       -0.04696  -0.00001   0.00002  -0.00127  -0.00129  -0.04825
   D28        0.00020   0.00000   0.00048  -0.00050  -0.00003   0.00017
   D29       -3.13597  -0.00001  -0.00079  -0.00007  -0.00088  -3.13685
   D30       -3.12648  -0.00001  -0.00085  -0.00057  -0.00142  -3.12789
   D31        0.02054  -0.00001  -0.00212  -0.00014  -0.00226   0.01827
   D32        0.00166  -0.00003  -0.00057   0.00026  -0.00030   0.00136
   D33       -3.10865   0.00000  -0.00004   0.00086   0.00077  -3.10788
   D34        3.13769  -0.00002   0.00074  -0.00018   0.00057   3.13826
   D35        0.02738   0.00001   0.00126   0.00042   0.00164   0.02902
   D36        1.96002  -0.00001  -0.00038  -0.00222  -0.00263   1.95739
   D37       -2.60577   0.00006   0.00024  -0.00107  -0.00085  -2.60662
   D38        0.32907   0.00003  -0.00003  -0.00211  -0.00211   0.32696
   D39       -2.35720   0.00003   0.00033   0.00375   0.00409  -2.35311
   D40       -1.11749   0.00000  -0.00017  -0.00151  -0.00165  -1.11914
   D41       -1.21925  -0.00004  -0.00093  -0.00294  -0.00391  -1.22315
   D42        0.49814   0.00003  -0.00031  -0.00179  -0.00213   0.49602
   D43       -2.85020  -0.00001  -0.00058  -0.00283  -0.00339  -2.85359
   D44        0.74672   0.00000  -0.00022   0.00302   0.00281   0.74953
   D45        1.98642  -0.00003  -0.00071  -0.00223  -0.00292   1.98350
   D46        1.06079   0.00000   0.00007   0.00040   0.00047   1.06127
   D47       -3.09972   0.00000  -0.00016   0.00048   0.00032  -3.09940
   D48       -1.04688   0.00001   0.00014   0.00035   0.00049  -1.04639
   D49       -1.03825   0.00000  -0.00066   0.00070   0.00004  -1.03821
   D50        1.08442   0.00000  -0.00089   0.00078  -0.00011   1.08431
   D51        3.13726   0.00000  -0.00059   0.00065   0.00006   3.13732
   D52       -3.12812   0.00000  -0.00011   0.00047   0.00036  -3.12776
   D53       -1.00545  -0.00001  -0.00034   0.00055   0.00020  -1.00525
   D54        1.04739   0.00000  -0.00004   0.00042   0.00038   1.04777
   D55       -1.08414  -0.00001  -0.00091   0.00065  -0.00027  -1.08441
   D56        1.04211  -0.00001  -0.00080   0.00051  -0.00030   1.04181
   D57        3.11782  -0.00001  -0.00062   0.00036  -0.00026   3.11756
   D58        3.06963   0.00001  -0.00042   0.00058   0.00016   3.06979
   D59       -1.08730   0.00000  -0.00032   0.00044   0.00013  -1.08718
   D60        0.98841   0.00001  -0.00013   0.00030   0.00017   0.98857
   D61        1.03525   0.00000  -0.00075   0.00068  -0.00008   1.03517
   D62       -3.12168   0.00000  -0.00065   0.00053  -0.00011  -3.12180
   D63       -1.04598   0.00000  -0.00046   0.00039  -0.00007  -1.04605
   D64       -0.86634  -0.00001   0.00083  -0.00134  -0.00051  -0.86685
   D65        2.23872  -0.00001   0.00057  -0.00095  -0.00038   2.23834
   D66       -3.01454   0.00000   0.00078  -0.00112  -0.00035  -3.01489
   D67        0.09052   0.00000   0.00051  -0.00073  -0.00022   0.09030
   D68        1.22476  -0.00002   0.00083  -0.00119  -0.00036   1.22440
   D69       -1.95336  -0.00001   0.00057  -0.00080  -0.00023  -1.95359
   D70        2.97989   0.00001   0.00271   0.00078   0.00350   2.98340
   D71       -0.12310   0.00000   0.00299   0.00037   0.00337  -0.11973
   D72       -2.99042   0.00000  -0.00188  -0.00043  -0.00230  -2.99271
   D73        0.11395   0.00000  -0.00216  -0.00002  -0.00217   0.11178
   D74        0.00589   0.00000  -0.00343  -0.00076  -0.00420   0.00169
   D75        0.26501  -0.00002  -0.00236  -0.00267  -0.00505   0.25996
   D76       -1.04723   0.00000   0.00067   0.00027   0.00095  -1.04628
   D77        1.07504   0.00000   0.00072   0.00045   0.00117   1.07621
   D78        3.09785   0.00001   0.00064   0.00055   0.00119   3.09904
   D79       -3.13582  -0.00001   0.00032   0.00027   0.00058  -3.13523
   D80       -1.01355   0.00000   0.00036   0.00045   0.00081  -1.01274
   D81        1.00926   0.00001   0.00028   0.00055   0.00083   1.01009
   D82        1.06175  -0.00001   0.00050   0.00037   0.00086   1.06261
   D83       -3.09917   0.00000   0.00054   0.00055   0.00109  -3.09808
   D84       -1.07636   0.00001   0.00046   0.00065   0.00111  -1.07526
   D85       -0.09891   0.00002  -0.00486   0.00305  -0.00181  -0.10072
   D86        3.02117   0.00002  -0.00546   0.00351  -0.00195   3.01922
   D87       -2.21948   0.00001  -0.00514   0.00292  -0.00222  -2.22169
   D88        0.90060   0.00001  -0.00574   0.00339  -0.00236   0.89825
   D89        2.03600   0.00000  -0.00508   0.00279  -0.00229   2.03371
   D90       -1.12711   0.00000  -0.00568   0.00326  -0.00243  -1.12954
   D91        3.11829   0.00001  -0.00060   0.00043  -0.00017   3.11812
   D92        0.01513   0.00002  -0.00042   0.00116   0.00074   0.01587
   D93       -0.00454   0.00001  -0.00007   0.00002  -0.00005  -0.00458
   D94       -3.10770   0.00001   0.00011   0.00075   0.00087  -3.10683
   D95       -3.11824  -0.00003   0.00045  -0.00089  -0.00044  -3.11868
   D96       -0.00911   0.00000   0.00156  -0.00031   0.00126  -0.00786
   D97        0.00707  -0.00002   0.00000  -0.00054  -0.00054   0.00653
   D98        3.11620   0.00001   0.00111   0.00004   0.00115   3.11736
   D99        0.00033   0.00001   0.00013   0.00050   0.00063   0.00096
   D100      -2.91110   0.00002  -0.00064  -0.00033  -0.00096  -2.91206
   D101       3.10681   0.00001  -0.00005  -0.00017  -0.00022   3.10659
   D102       0.19537   0.00001  -0.00081  -0.00100  -0.00180   0.19357
   D103      -0.00724   0.00003   0.00008   0.00088   0.00097  -0.00627
   D104       3.09398   0.00002   0.00053  -0.00005   0.00049   3.09447
   D105      -3.11629   0.00000  -0.00103   0.00031  -0.00073  -3.11702
   D106      -0.01506  -0.00001  -0.00058  -0.00063  -0.00121  -0.01627
   D107       0.00423  -0.00003  -0.00013  -0.00084  -0.00097   0.00326
   D108       2.91520  -0.00001   0.00074   0.00022   0.00099   2.91618
   D109      -3.09721  -0.00001  -0.00058   0.00008  -0.00050  -3.09771
   D110      -0.18624   0.00000   0.00029   0.00115   0.00145  -0.18479
   D111      -0.48428   0.00002   0.00580   0.00105   0.00683  -0.47745
   D112      -2.06292  -0.00001   0.00395   0.00052   0.00445  -2.05847
   D113       1.20998   0.00001   0.00652   0.00083   0.00735   1.21733
   D114       2.78449   0.00003   0.00589   0.00078   0.00667   2.79116
   D115       2.38807  -0.00002   0.00552  -0.00166   0.00388   2.39195
   D116       2.93087   0.00002   0.00483  -0.00007   0.00475   2.93561
   D117       1.35223  -0.00001   0.00298  -0.00060   0.00236   1.35459
   D118      -1.65805   0.00001   0.00555  -0.00029   0.00526  -1.65279
   D119      -0.08355   0.00003   0.00492  -0.00034   0.00459  -0.07896
   D120      -0.47997  -0.00002   0.00455  -0.00278   0.00180  -0.47817
   D121      -1.05647  -0.00002  -0.00032   0.00011  -0.00021  -1.05669
   D122       3.10084   0.00001  -0.00009   0.00014   0.00005   3.10089
   D123       1.07667   0.00001  -0.00001   0.00009   0.00007   1.07674
   D124       1.05200  -0.00001  -0.00042   0.00017  -0.00025   1.05175
   D125      -1.07387   0.00001  -0.00019   0.00020   0.00001  -1.07386
   D126      -3.09804   0.00001  -0.00011   0.00015   0.00004  -3.09800
   D127      -3.13831  -0.00002  -0.00051   0.00018  -0.00033  -3.13864
   D128       1.01901   0.00001  -0.00028   0.00020  -0.00007   1.01894
   D129      -1.00516   0.00000  -0.00020   0.00015  -0.00004  -1.00520
   D130       0.37128   0.00000   0.00095  -0.00086   0.00009   0.37138
   D131      -2.76439   0.00004   0.00150  -0.00044   0.00107  -2.76332
   D132       2.49452  -0.00002   0.00079  -0.00085  -0.00006   2.49446
   D133      -0.64114   0.00002   0.00134  -0.00043   0.00091  -0.64023
   D134      -1.75435  -0.00002   0.00069  -0.00092  -0.00023  -1.75457
   D135       1.39317   0.00002   0.00123  -0.00050   0.00075   1.39391
   D136      -3.12764   0.00000   0.00049  -0.00093  -0.00043  -3.12807
   D137       0.00858   0.00004   0.00121   0.00051   0.00172   0.01030
   D138       0.00884  -0.00003   0.00002  -0.00130  -0.00127   0.00757
   D139      -3.13812   0.00001   0.00073   0.00015   0.00088  -3.13724
   D140       3.12899  -0.00003  -0.00062   0.00014  -0.00050   3.12850
   D141       0.00285  -0.00001   0.00048   0.00008   0.00056   0.00341
   D142      -0.00804   0.00000  -0.00020   0.00046   0.00025  -0.00779
   D143      -3.13419   0.00002   0.00090   0.00041   0.00130  -3.13288
   D144      -0.00644   0.00005   0.00017   0.00168   0.00184  -0.00460
   D145       2.95644   0.00003   0.00011   0.00105   0.00114   2.95758
   D146       3.14003   0.00001  -0.00048   0.00037  -0.00011   3.13993
   D147      -0.18027  -0.00001  -0.00054  -0.00027  -0.00081  -0.18108
   D148       0.00440   0.00003   0.00032   0.00058   0.00090   0.00530
   D149      -3.11296   0.00001   0.00009  -0.00021  -0.00012  -3.11308
   D150       3.13052   0.00001  -0.00078   0.00063  -0.00016   3.13036
   D151       0.01315  -0.00001  -0.00102  -0.00016  -0.00118   0.01197
   D152       0.00118  -0.00005  -0.00030  -0.00136  -0.00166  -0.00048
   D153      -2.96458  -0.00001  -0.00018  -0.00073  -0.00090  -2.96548
   D154       3.11872  -0.00002  -0.00007  -0.00057  -0.00064   3.11807
   D155       0.15295   0.00001   0.00005   0.00006   0.00012   0.15307
   D156      -1.45011   0.00005   0.00254   0.00205   0.00461  -1.44550
   D157       0.26126   0.00004   0.00304   0.00240   0.00547   0.26673
   D158       2.79349   0.00006  -0.00660   0.00364  -0.00295   2.79054
   D159       1.72541   0.00005   0.00264   0.00271   0.00533   1.73075
   D160      -3.11478   0.00003   0.00219   0.00221   0.00439  -3.11038
   D161       1.48100   0.00001   0.00243   0.00128   0.00372   1.48472
   D162      -3.09081   0.00000   0.00292   0.00163   0.00458  -3.08623
   D163      -0.55859   0.00002  -0.00671   0.00287  -0.00383  -0.56242
   D164      -1.62666   0.00001   0.00253   0.00194   0.00445  -1.62221
   D165      -0.18367   0.00000   0.00208   0.00144   0.00351  -0.18016
   D166       1.75534   0.00000  -0.00211   0.00012  -0.00201   1.75333
   D167      -0.58705   0.00004   0.00171   0.00169   0.00339  -0.58366
   D168       0.03746   0.00002  -0.00234  -0.00015  -0.00250   0.03495
   D169      -2.30494   0.00006   0.00148   0.00142   0.00290  -2.30204
   D170      -2.50164  -0.00001   0.00711  -0.00148   0.00561  -2.49603
   D171       1.43915   0.00003   0.01093   0.00009   0.01101   1.45016
   D172      -1.44649  -0.00001  -0.00226  -0.00063  -0.00287  -1.44937
   D173       2.49430   0.00004   0.00156   0.00094   0.00252   2.49682
   D174      -2.87880   0.00002  -0.00172  -0.00006  -0.00177  -2.88057
   D175       1.06199   0.00006   0.00210   0.00151   0.00362   1.06562
   D176       1.04636   0.00000  -0.00034  -0.00561  -0.00595   1.04041
   D177       3.02682   0.00004   0.00040   0.00032   0.00076   3.02758
   D178       1.29676  -0.00003  -0.00019  -0.00074  -0.00090   1.29586
   D179      -1.64318   0.00000  -0.00004   0.00021   0.00017  -1.64302
   D180      -0.20832   0.00003   0.00007  -0.00036  -0.00031  -0.20863
   D181       2.09510  -0.00001   0.00002   0.00006   0.00013   2.09523
   D182      -0.77881   0.00004   0.00032   0.00274   0.00305  -0.77576
   D183      -2.63780   0.00001   0.00170   0.00036   0.00208  -2.63573
   D184       0.41924   0.00000  -0.00066   0.00030  -0.00036   0.41888
   D185      -1.17755  -0.00002  -0.00007   0.00023   0.00016  -1.17739
   D186      -2.39879   0.00000   0.00460   0.00077   0.00538  -2.39341
   D187       0.09745   0.00000   0.00159   0.00043   0.00201   0.09946
   D188       2.07926   0.00000  -0.00055   0.00067   0.00010   2.07936
   D189      -0.38089   0.00002   0.00215   0.00239   0.00453  -0.37637
   D190       0.90238  -0.00001  -0.00050  -0.00065  -0.00114   0.90124
   D191      -2.25944   0.00000  -0.00008  -0.00055  -0.00063  -2.26006
   D192       0.07653   0.00001   0.00040   0.00110   0.00150   0.07803
   D193      -3.09003  -0.00001  -0.00018  -0.00061  -0.00079  -3.09082
   D194      -3.04567  -0.00001   0.00000   0.00099   0.00099  -3.04468
   D195       0.07095  -0.00002  -0.00058  -0.00071  -0.00129   0.06966
   D196      -1.15350   0.00000  -0.00030   0.00104   0.00075  -1.15276
   D197       0.89208   0.00000  -0.00028   0.00103   0.00075   0.89283
   D198       3.01907  -0.00001  -0.00021   0.00096   0.00076   3.01983
   D199       1.96891   0.00001   0.00009   0.00114   0.00123   1.97014
   D200      -2.26869   0.00001   0.00011   0.00112   0.00123  -2.26746
   D201      -0.14170   0.00001   0.00019   0.00105   0.00124  -0.14046
   D202      -1.44565  -0.00001  -0.00049  -0.00064  -0.00114  -1.44679
   D203       0.57468   0.00000  -0.00037  -0.00065  -0.00103   0.57365
   D204       2.65369  -0.00001  -0.00038  -0.00069  -0.00107   2.65262
   D205       1.72087   0.00000   0.00009   0.00106   0.00114   1.72201
   D206      -2.54198   0.00001   0.00021   0.00105   0.00125  -2.54073
   D207      -0.46297   0.00001   0.00020   0.00102   0.00121  -0.46176
   D208       0.70156   0.00004   0.00053   0.00053   0.00106   0.70262
   D209      -2.50606   0.00000   0.00020  -0.00041  -0.00021  -2.50627
   D210      -1.36718   0.00003   0.00030   0.00044   0.00073  -1.36645
   D211       1.70838  -0.00002  -0.00003  -0.00051  -0.00054   1.70784
   D212       2.85985   0.00003   0.00073   0.00057   0.00129   2.86114
   D213      -0.34778  -0.00001   0.00040  -0.00037   0.00003  -0.34775
   D214       1.00000   0.00005   0.00131   0.00036   0.00168   1.00167
   D215      -2.07087   0.00009   0.00166   0.00137   0.00303  -2.06784
   D216      -0.00024   0.00002   0.00262   0.00026   0.00288   0.00264
   D217      -2.92221   0.00002  -0.00029   0.00050   0.00021  -2.92200
   D218       3.07313  -0.00002   0.00231  -0.00071   0.00161   3.07474
   D219       0.15116  -0.00002  -0.00060  -0.00047  -0.00107   0.15009
   D220      -2.46918   0.00004  -0.00024   0.00424   0.00400  -2.46518
   D221      -0.38121   0.00002  -0.00039   0.00416   0.00377  -0.37744
   D222       1.69869  -0.00003  -0.00050   0.00399   0.00349   1.70218
   D223       0.88928   0.00004  -0.00314   0.00448   0.00134   0.89062
   D224       2.97725   0.00002  -0.00329   0.00441   0.00112   2.97836
   D225      -1.22604  -0.00002  -0.00340   0.00424   0.00083  -1.22520
         Item               Value     Threshold  Converged?
 Maximum Force            0.000177     0.000450     YES
 RMS     Force            0.000033     0.000300     YES
 Maximum Displacement     0.030661     0.001800     NO 
 RMS     Displacement     0.005755     0.001200     NO 
 Predicted change in Energy=-4.481554D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.071351    2.551817    3.552167
      2          6           0       -3.333885    1.190988    3.646459
      3          6           0       -2.085923    1.116765    2.810787
      4          6           0       -1.702138    0.260218    1.789718
      5          7           0       -1.007976    2.003789    2.964440
      6          6           0       -0.030622    1.667250    2.060101
      7          7           0       -0.419551    0.611123    1.330940
      8          6           0       -5.228972    0.908958    0.139848
      9          6           0       -5.878046   -0.171139   -0.753454
     10          6           0       -5.245053   -1.571558   -0.563082
     11          6           0       -3.768686   -1.569368   -0.952151
     12          8           0       -3.390879   -1.079490   -2.066490
     13          8           0       -2.906538   -2.061325   -0.055865
     14          6           0       -2.253616    4.236954   -2.990034
     15          6           0       -0.967113    3.854717   -3.751754
     16          6           0       -0.171275    2.773236   -3.069269
     17          6           0       -0.307132    2.126477   -1.850251
     18          7           0        0.954530    2.177398   -3.663614
     19          6           0        1.447174    1.212561   -2.819417
     20          7           0        0.702610    1.159338   -1.706624
     21          6           0        4.692742    3.991560    1.491626
     22          6           0        5.161447    2.612876    2.005611
     23          6           0        4.190434    1.515907    1.659957
     24          6           0        3.204379    1.423075    0.688039
     25          7           0        4.126206    0.293921    2.348678
     26          6           0        3.126662   -0.475393    1.797032
     27          7           0        2.551944    0.186653    0.787361
     28         30           0        0.756527   -0.399599   -0.222972
     29          1           0       -4.985798    2.530035    4.156313
     30          1           0       -4.351127    2.773707    2.516340
     31          1           0       -3.452524    3.380100    3.924589
     32          1           0       -4.004279    0.390334    3.316106
     33          1           0       -3.094539    0.980445    4.699807
     34          1           0       -2.255424   -0.560030    1.354915
     35          1           0       -0.966257    2.770107    3.623548
     36          1           0        0.908493    2.187540    1.969273
     37          1           0       -4.162029    1.019001   -0.091778
     38          1           0       -5.325621    0.646917    1.203145
     39          1           0       -5.712366    1.883530   -0.012213
     40          1           0       -6.953452   -0.233179   -0.534094
     41          1           0       -5.773141    0.113841   -1.807483
     42          1           0       -5.341585   -1.913212    0.473916
     43          1           0       -5.767700   -2.293333   -1.206806
     44          1           0       -2.920591    3.373221   -2.885083
     45          1           0       -2.794544    5.020190   -3.532520
     46          1           0       -2.023954    4.620519   -1.987924
     47          1           0       -1.237685    3.518467   -4.763961
     48          1           0       -0.340287    4.750746   -3.878466
     49          1           0       -1.064199    2.262728   -1.096524
     50          1           0        1.323426    2.404082   -4.578548
     51          1           0        2.281663    0.565518   -3.033245
     52          1           0        4.589672    3.995062    0.399733
     53          1           0        3.726667    4.270277    1.929482
     54          1           0        5.422261    4.764778    1.757055
     55          1           0        5.294184    2.657176    3.096582
     56          1           0        6.151086    2.385879    1.582393
     57          1           0        2.921445    2.145222   -0.059675
     58          1           0        4.709694    0.029643    3.132510
     59          1           0        2.831907   -1.454285    2.137892
     60          8           0       -0.791574   -1.390623   -1.083742
     61          1           0       -1.202274   -1.054091   -1.911323
     62          1           0       -1.674432   -1.777610   -0.539175
     63          6           0        2.984161   -2.521008   -1.574713
     64          8           0        2.285806   -1.470439   -1.702992
     65          7           0        2.438895   -3.712676   -1.185128
     66          6           0        1.000916   -3.900652   -0.977122
     67          6           0        0.517234   -3.441280    0.406186
     68          8           0        0.977291   -2.369505    0.925283
     69          7           0       -0.456155   -4.180986    0.977479
     70          1           0        0.450710   -3.263682   -1.681597
     71          1           0        0.747492   -4.949146   -1.166405
     72          1           0        3.052875   -4.507940   -1.056425
     73          1           0       -0.806457   -4.987309    0.470424
     74          6           0       -1.225900   -3.751886    2.161391
     75          1           0       -1.398004   -4.609712    2.819562
     76          1           0       -0.650183   -2.992928    2.694956
     77          1           0       -2.179333   -3.321089    1.833479
     78          6           0        4.472420   -2.516302   -1.874225
     79          1           0        4.622197   -2.337122   -2.945580
     80          1           0        4.944117   -1.690221   -1.332738
     81          1           0        4.970562   -3.453717   -1.606264
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968933      0.0727242      0.0659361
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4910.8889395452 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33672 LenP2D=  122048.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    0.999999    0.000446   -0.000296   -0.001144 Ang=   0.14 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97580603     A.U. after    9 cycles
            NFock=  9  Conv=0.81D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33672 LenP2D=  122048.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000025903   -0.000023595   -0.000012670
      3        6           0.000050592   -0.000004732    0.000008448
      4        6          -0.000091807    0.000082389    0.000012274
      5        7          -0.000038953   -0.000004469   -0.000039623
      6        6           0.000101712    0.000067835    0.000077141
      7        7          -0.000050767   -0.000164259   -0.000096197
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000019924   -0.000001317    0.000039576
     10        6          -0.000072419   -0.000000166    0.000045956
     11        6           0.000042880    0.000052880    0.000074634
     12        8          -0.000187993   -0.000035405   -0.000032635
     13        8           0.000187477    0.000063817   -0.000087078
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000010764   -0.000040333    0.000002944
     16        6           0.000070506    0.000054387    0.000047323
     17        6           0.000051791   -0.000042279   -0.000091826
     18        7          -0.000093628   -0.000015605   -0.000004045
     19        6           0.000039649    0.000038223   -0.000048768
     20        7           0.000016650   -0.000014133    0.000068824
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000013787    0.000002169    0.000000179
     23        6          -0.000071732    0.000040694   -0.000024675
     24        6           0.000037754   -0.000017446    0.000024942
     25        7           0.000048029   -0.000028968    0.000017342
     26        6          -0.000100596   -0.000008289   -0.000029890
     27        7           0.000101638    0.000059185    0.000035958
     28       30          -0.000017807   -0.000154108   -0.000000996
     29        1           0.000020371    0.000013987    0.000011068
     30        1          -0.000012862    0.000002899    0.000018872
     31        1           0.000003990    0.000015650   -0.000022710
     32        1          -0.000011673    0.000008377    0.000018031
     33        1           0.000002267   -0.000004776   -0.000003462
     34        1          -0.000005271    0.000005644    0.000015229
     35        1           0.000004625    0.000011736    0.000006158
     36        1          -0.000012968    0.000019485    0.000019721
     37        1          -0.000031013   -0.000000603    0.000000701
     38        1          -0.000024549    0.000001313    0.000001002
     39        1          -0.000015038    0.000011276   -0.000006217
     40        1          -0.000005575    0.000009709   -0.000023294
     41        1           0.000017563   -0.000013200   -0.000009904
     42        1          -0.000015685   -0.000025010   -0.000002236
     43        1           0.000023340   -0.000030112   -0.000014790
     44        1           0.000004402   -0.000016870   -0.000015374
     45        1           0.000013267    0.000015377    0.000001865
     46        1          -0.000008516   -0.000002234    0.000003801
     47        1           0.000015296    0.000009674    0.000013072
     48        1          -0.000015806    0.000013892   -0.000009612
     49        1          -0.000010209    0.000007634    0.000007405
     50        1           0.000005950    0.000005768   -0.000000035
     51        1          -0.000007663   -0.000008920    0.000014869
     52        1          -0.000003589   -0.000000112   -0.000006852
     53        1          -0.000022907    0.000009732   -0.000009695
     54        1          -0.000014701    0.000004461   -0.000000586
     55        1           0.000007828   -0.000000174    0.000004905
     56        1           0.000001730   -0.000004968    0.000000830
     57        1          -0.000019907   -0.000010501   -0.000018696
     58        1          -0.000001258    0.000014786   -0.000002258
     59        1           0.000019284    0.000002358   -0.000004006
     60        8          -0.000155597    0.000206549    0.000017686
     61        1           0.000219918    0.000010267   -0.000040145
     62        1          -0.000074518   -0.000251028    0.000096305
     63        6           0.000030527   -0.000046538   -0.000044821
     64        8          -0.000073106    0.000043539   -0.000002720
     65        7          -0.000029432    0.000018051    0.000037331
     66        6           0.000017614    0.000015980    0.000036564
     67        6          -0.000018624   -0.000013668   -0.000027171
     68        8          -0.000006114    0.000053463   -0.000027884
     69        7          -0.000049570    0.000080729    0.000003413
     70        1          -0.000004095   -0.000014487    0.000000175
     71        1          -0.000006682   -0.000011827   -0.000011427
     72        1           0.000013106    0.000006978   -0.000010695
     73        1           0.000047093   -0.000022662   -0.000024826
     74        6           0.000057120    0.000035972    0.000006044
     75        1          -0.000035318   -0.000021497    0.000003122
     76        1           0.000016849   -0.000027138   -0.000010565
     77        1          -0.000014571   -0.000033251    0.000018300
     78        6           0.000045180    0.000031689   -0.000012090
     79        1          -0.000017218   -0.000006041    0.000016449
     80        1          -0.000009472   -0.000013116    0.000006233
     81        1          -0.000000647    0.000000993    0.000000460
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000251028 RMS     0.000047695

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000142137 RMS     0.000023413
 Search for a local minimum.
 Step number  38 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38
 DE= -7.57D-06 DEPred=-4.48D-06 R= 1.69D+00
 TightC=F SS=  1.41D+00  RLast= 3.81D-02 DXNew= 5.0454D+00 1.1443D-01
 Trust test= 1.69D+00 RLast= 3.81D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00088   0.00096   0.00196   0.00230   0.00230
     Eigenvalues ---    0.00233   0.00240   0.00276   0.00387   0.00409
     Eigenvalues ---    0.00513   0.00536   0.00634   0.00668   0.00687
     Eigenvalues ---    0.00781   0.00809   0.00830   0.00885   0.00915
     Eigenvalues ---    0.01149   0.01229   0.01315   0.01361   0.01460
     Eigenvalues ---    0.01534   0.01642   0.01731   0.01762   0.01791
     Eigenvalues ---    0.01805   0.01829   0.01918   0.01936   0.01965
     Eigenvalues ---    0.02036   0.02091   0.02117   0.02260   0.02289
     Eigenvalues ---    0.02332   0.02422   0.02468   0.02647   0.02816
     Eigenvalues ---    0.02965   0.03473   0.03582   0.03926   0.03981
     Eigenvalues ---    0.04096   0.04121   0.04203   0.04402   0.04563
     Eigenvalues ---    0.04718   0.04833   0.05029   0.05202   0.05307
     Eigenvalues ---    0.05353   0.05381   0.05392   0.05414   0.05444
     Eigenvalues ---    0.05469   0.05508   0.05511   0.05531   0.05558
     Eigenvalues ---    0.05654   0.06091   0.06288   0.06881   0.06953
     Eigenvalues ---    0.07381   0.07481   0.07652   0.07790   0.08302
     Eigenvalues ---    0.08530   0.08818   0.09217   0.09327   0.09478
     Eigenvalues ---    0.09678   0.10052   0.10309   0.10684   0.11060
     Eigenvalues ---    0.12016   0.12305   0.12483   0.12885   0.12960
     Eigenvalues ---    0.13041   0.13312   0.14236   0.14393   0.14932
     Eigenvalues ---    0.15301   0.15788   0.15833   0.15913   0.15967
     Eigenvalues ---    0.15980   0.15986   0.15990   0.15994   0.15998
     Eigenvalues ---    0.15999   0.16000   0.16001   0.16002   0.16005
     Eigenvalues ---    0.16009   0.16010   0.16013   0.16021   0.16030
     Eigenvalues ---    0.16047   0.16052   0.16057   0.16082   0.16119
     Eigenvalues ---    0.16160   0.16204   0.16312   0.16403   0.16435
     Eigenvalues ---    0.16592   0.18041   0.20414   0.20706   0.21168
     Eigenvalues ---    0.21568   0.22196   0.22357   0.22475   0.22795
     Eigenvalues ---    0.22954   0.23036   0.23168   0.23585   0.23900
     Eigenvalues ---    0.24010   0.24262   0.24433   0.24733   0.25089
     Eigenvalues ---    0.25305   0.26659   0.27426   0.27681   0.28155
     Eigenvalues ---    0.28222   0.28365   0.28783   0.29840   0.30250
     Eigenvalues ---    0.30714   0.30872   0.31536   0.31650   0.31943
     Eigenvalues ---    0.33549   0.33619   0.33632   0.33661   0.33671
     Eigenvalues ---    0.33771   0.33804   0.33857   0.33877   0.33917
     Eigenvalues ---    0.33935   0.33948   0.33984   0.33995   0.34008
     Eigenvalues ---    0.34031   0.34054   0.34083   0.34087   0.34131
     Eigenvalues ---    0.34168   0.34180   0.34190   0.34194   0.34250
     Eigenvalues ---    0.34304   0.34323   0.34449   0.34669   0.35356
     Eigenvalues ---    0.35710   0.35764   0.36161   0.36233   0.36341
     Eigenvalues ---    0.36475   0.36531   0.37706   0.39090   0.39455
     Eigenvalues ---    0.40388   0.42310   0.42698   0.42795   0.43681
     Eigenvalues ---    0.45306   0.45437   0.45470   0.45582   0.45586
     Eigenvalues ---    0.45633   0.45813   0.46120   0.48920   0.49195
     Eigenvalues ---    0.49535   0.49876   0.50138   0.52547   0.54535
     Eigenvalues ---    0.54884   0.55077   0.56491   0.66753   0.73118
     Eigenvalues ---    0.766841000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    38   37   36   35   34
 RFO step:  Lambda=-7.20026607D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.11994    0.23993   -0.19684   -0.55296    0.38993
 Iteration  1 RMS(Cart)=  0.00413008 RMS(Int)=  0.00000814
 Iteration  2 RMS(Cart)=  0.00000733 RMS(Int)=  0.00000717
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00000717
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00002   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00004   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00007   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00003   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00003   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00001   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00005   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468  -0.00002   0.00000   0.00000   0.00000   4.09468
    R1        2.93036   0.00000   0.00026  -0.00008   0.00017   2.93053
    R2        2.07154   0.00003   0.00006  -0.00001   0.00005   2.07159
    R3        2.07048  -0.00002   0.00018  -0.00009   0.00009   2.07057
    R4        2.07672  -0.00003   0.00017  -0.00007   0.00009   2.07681
    R5        2.84168   0.00000   0.00011  -0.00005   0.00006   2.84174
    R6        2.06975  -0.00001   0.00022  -0.00008   0.00014   2.06989
    R7        2.07969  -0.00001   0.00026  -0.00008   0.00018   2.07987
    R8        2.62090   0.00004   0.00010  -0.00002   0.00007   2.62097
    R9        2.65397  -0.00003  -0.00008   0.00002  -0.00006   2.65391
   R10        2.65817   0.00004  -0.00018   0.00013  -0.00005   2.65811
   R11        2.04229  -0.00001  -0.00007   0.00001  -0.00006   2.04223
   R12        2.59540  -0.00005   0.00011  -0.00008   0.00003   2.59543
   R13        1.91171   0.00000   0.00001   0.00000   0.00001   1.91172
   R14        2.53417   0.00000  -0.00005   0.00004  -0.00001   2.53416
   R15        2.03608  -0.00001  -0.00002   0.00000  -0.00002   2.03606
   R16        4.14853  -0.00001  -0.00060   0.00009  -0.00051   4.14802
   R17        2.91893  -0.00005  -0.00008  -0.00002  -0.00009   2.91884
   R18        2.07365   0.00003  -0.00001   0.00005   0.00004   2.07369
   R19        2.07750   0.00000   0.00006  -0.00002   0.00004   2.07754
   R20        2.07576  -0.00002   0.00005  -0.00006  -0.00001   2.07575
   R21        2.92639  -0.00003   0.00006  -0.00007  -0.00001   2.92638
   R22        2.07738  -0.00001   0.00000  -0.00001  -0.00002   2.07736
   R23        2.07285   0.00002  -0.00003   0.00004   0.00001   2.07286
   R24        2.88518  -0.00007  -0.00010  -0.00016  -0.00025   2.88493
   R25        2.07131  -0.00001   0.00000  -0.00003  -0.00003   2.07128
   R26        2.07741   0.00000   0.00000  -0.00002  -0.00002   2.07739
   R27        2.40854   0.00003   0.00011   0.00005   0.00016   2.40870
   R28        2.52733  -0.00010   0.00015  -0.00006   0.00008   2.52741
   R29        4.14652  -0.00014  -0.00351  -0.00477  -0.00828   4.13824
   R30        2.55789   0.00013   0.00011  -0.00020  -0.00010   2.55779
   R31        2.91619   0.00000   0.00010  -0.00007   0.00002   2.91621
   R32        2.07173  -0.00001   0.00000  -0.00003  -0.00003   2.07171
   R33        2.07039   0.00000  -0.00001   0.00001   0.00000   2.07040
   R34        2.07362   0.00001   0.00003   0.00001   0.00005   2.07366
   R35        2.84637   0.00002   0.00001   0.00003   0.00005   2.84642
   R36        2.07942  -0.00001  -0.00002  -0.00001  -0.00004   2.07938
   R37        2.08027  -0.00001   0.00003  -0.00002   0.00001   2.08028
   R38        2.62036  -0.00004  -0.00004  -0.00003  -0.00006   2.62030
   R39        2.65620   0.00007   0.00000   0.00008   0.00008   2.65628
   R40        2.65610   0.00004  -0.00001   0.00005   0.00005   2.65615
   R41        2.03514   0.00000  -0.00001   0.00000  -0.00001   2.03513
   R42        2.59539  -0.00001   0.00000  -0.00006  -0.00007   2.59532
   R43        1.91280   0.00000   0.00000  -0.00001   0.00000   1.91280
   R44        2.53217   0.00000   0.00005   0.00002   0.00007   2.53224
   R45        2.03596   0.00000   0.00002   0.00001   0.00003   2.03599
   R46        4.06815   0.00002  -0.00042  -0.00032  -0.00074   4.06741
   R47        2.91816   0.00000  -0.00008   0.00002  -0.00005   2.91811
   R48        2.07256   0.00001   0.00003  -0.00001   0.00002   2.07258
   R49        2.07242  -0.00002  -0.00001  -0.00002  -0.00003   2.07239
   R50        2.07054   0.00000   0.00004  -0.00002   0.00002   2.07056
   R51        2.84445  -0.00002   0.00007  -0.00007   0.00000   2.84445
   R52        2.07853   0.00000   0.00002   0.00001   0.00002   2.07855
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62226   0.00001   0.00004  -0.00004  -0.00001   2.62225
   R55        2.65351  -0.00002   0.00004  -0.00002   0.00002   2.65353
   R56        2.64850   0.00000   0.00014   0.00000   0.00013   2.64863
   R57        2.03584   0.00001   0.00002   0.00001   0.00003   2.03588
   R58        2.60155  -0.00002  -0.00003  -0.00003  -0.00005   2.60150
   R59        1.91292   0.00000   0.00000   0.00000   0.00000   1.91292
   R60        2.52690   0.00001  -0.00006   0.00002  -0.00004   2.52686
   R61        2.03643   0.00000  -0.00002   0.00000  -0.00002   2.03641
   R62        4.04772  -0.00006   0.00080  -0.00076   0.00004   4.04775
   R63        3.83557  -0.00002   0.00070  -0.00019   0.00051   3.83608
   R64        4.50209   0.00004   0.00386   0.00201   0.00587   4.50796
   R65        4.32898   0.00003  -0.00201   0.00131  -0.00070   4.32828
   R66        1.85811   0.00009   0.00015   0.00021   0.00036   1.85847
   R67        2.09218  -0.00006  -0.00025   0.00024  -0.00001   2.09217
   R68        2.39619  -0.00003  -0.00008  -0.00006  -0.00013   2.39606
   R69        2.58359   0.00002   0.00031   0.00002   0.00034   2.58392
   R70        2.86880  -0.00002  -0.00016   0.00003  -0.00014   2.86866
   R71        2.76855   0.00000  -0.00003   0.00002   0.00000   2.76855
   R72        1.91412  -0.00001   0.00000  -0.00001  -0.00001   1.91411
   R73        2.90214  -0.00003   0.00002  -0.00014  -0.00011   2.90202
   R74        2.07418   0.00000  -0.00003   0.00002  -0.00001   2.07417
   R75        2.06957  -0.00001   0.00001   0.00000   0.00001   2.06958
   R76        2.41250   0.00000   0.00010  -0.00001   0.00008   2.41259
   R77        2.55010   0.00002  -0.00006   0.00013   0.00007   2.55017
   R78        1.91784   0.00001  -0.00001   0.00002   0.00001   1.91784
   R79        2.78905   0.00002   0.00007   0.00003   0.00010   2.78915
   R80        2.06895  -0.00001  -0.00004   0.00002  -0.00002   2.06892
   R81        2.06332   0.00001   0.00007  -0.00005   0.00002   2.06333
   R82        2.07194  -0.00001  -0.00001  -0.00003  -0.00004   2.07191
   R83        2.07211  -0.00001   0.00001  -0.00003  -0.00001   2.07209
   R84        2.06847   0.00002   0.00001   0.00003   0.00004   2.06851
   R85        2.06897   0.00000   0.00003  -0.00001   0.00002   2.06899
    A1        1.92386   0.00000  -0.00010   0.00002  -0.00008   1.92378
    A2        1.93548   0.00000   0.00004  -0.00002   0.00002   1.93550
    A3        1.95306   0.00000   0.00002  -0.00002   0.00000   1.95306
    A4        1.88814   0.00000  -0.00002   0.00004   0.00002   1.88816
    A5        1.87333   0.00001   0.00004   0.00006   0.00011   1.87344
    A6        1.88760   0.00000   0.00001  -0.00007  -0.00007   1.88754
    A7        1.98690  -0.00002   0.00010  -0.00004   0.00007   1.98697
    A8        1.90931   0.00002  -0.00003   0.00007   0.00004   1.90935
    A9        1.90659   0.00000   0.00004  -0.00002   0.00002   1.90661
   A10        1.87997   0.00001   0.00006   0.00005   0.00011   1.88008
   A11        1.91981   0.00000  -0.00015  -0.00004  -0.00020   1.91961
   A12        1.85663  -0.00001  -0.00003  -0.00002  -0.00005   1.85658
   A13        2.30401   0.00007   0.00016   0.00009   0.00024   2.30425
   A14        2.14719  -0.00005  -0.00015  -0.00003  -0.00018   2.14702
   A15        1.83198  -0.00002  -0.00001  -0.00005  -0.00006   1.83191
   A16        1.91597   0.00001  -0.00002   0.00008   0.00006   1.91603
   A17        2.24370  -0.00001   0.00002  -0.00019  -0.00016   2.24354
   A18        2.12342   0.00000  -0.00001   0.00011   0.00010   2.12352
   A19        1.89588   0.00002   0.00001   0.00003   0.00004   1.89592
   A20        2.19121  -0.00002  -0.00013  -0.00002  -0.00015   2.19106
   A21        2.19601   0.00000   0.00013  -0.00001   0.00012   2.19613
   A22        1.92263   0.00004  -0.00007   0.00008   0.00000   1.92263
   A23        2.16209  -0.00003   0.00006  -0.00006   0.00001   2.16209
   A24        2.19846  -0.00001   0.00001  -0.00002  -0.00001   2.19845
   A25        1.85831  -0.00005   0.00010  -0.00013  -0.00003   1.85828
   A26        2.21992  -0.00010  -0.00063  -0.00008  -0.00069   2.21922
   A27        2.20445   0.00014   0.00043   0.00023   0.00069   2.20514
   A28        1.93545  -0.00001   0.00018  -0.00009   0.00009   1.93554
   A29        1.93450   0.00001   0.00000   0.00000   0.00000   1.93450
   A30        1.93416   0.00000  -0.00007   0.00007   0.00000   1.93415
   A31        1.88971  -0.00001   0.00001  -0.00012  -0.00011   1.88960
   A32        1.88566   0.00000  -0.00010   0.00005  -0.00005   1.88562
   A33        1.88250   0.00001  -0.00003   0.00009   0.00007   1.88257
   A34        1.97088  -0.00004  -0.00008  -0.00010  -0.00018   1.97070
   A35        1.91255   0.00003  -0.00017   0.00017   0.00000   1.91255
   A36        1.91120   0.00000   0.00012   0.00001   0.00013   1.91133
   A37        1.90107   0.00000   0.00002  -0.00009  -0.00006   1.90101
   A38        1.89018   0.00003   0.00000   0.00012   0.00011   1.89030
   A39        1.87545  -0.00001   0.00012  -0.00012   0.00000   1.87545
   A40        1.94189   0.00004  -0.00012   0.00006  -0.00006   1.94183
   A41        1.94141  -0.00001  -0.00005  -0.00006  -0.00011   1.94130
   A42        1.90438  -0.00003   0.00011  -0.00014  -0.00004   1.90434
   A43        1.90361  -0.00002   0.00004  -0.00012  -0.00008   1.90352
   A44        1.88752   0.00000  -0.00003   0.00012   0.00008   1.88760
   A45        1.88333   0.00002   0.00006   0.00016   0.00022   1.88355
   A46        2.10597   0.00006   0.00004   0.00020   0.00024   2.10621
   A47        2.03986  -0.00005  -0.00002  -0.00009  -0.00012   2.03974
   A48        2.13675  -0.00001  -0.00003  -0.00010  -0.00013   2.13663
   A49        1.81140   0.00003   0.00020   0.00024   0.00044   1.81184
   A50        1.84460   0.00003  -0.00026  -0.00005  -0.00031   1.84429
   A51        1.93831  -0.00001   0.00013  -0.00011   0.00002   1.93833
   A52        1.92226   0.00002   0.00001   0.00005   0.00006   1.92232
   A53        1.94215  -0.00001  -0.00016   0.00005  -0.00011   1.94204
   A54        1.88626  -0.00002   0.00007  -0.00009  -0.00003   1.88623
   A55        1.89157   0.00001  -0.00003   0.00006   0.00002   1.89159
   A56        1.88140   0.00000  -0.00001   0.00005   0.00003   1.88143
   A57        1.97650  -0.00001   0.00005   0.00002   0.00008   1.97658
   A58        1.90154  -0.00001   0.00015  -0.00010   0.00005   1.90159
   A59        1.90700   0.00002  -0.00020   0.00011  -0.00010   1.90690
   A60        1.90426   0.00001   0.00002   0.00001   0.00003   1.90429
   A61        1.91317  -0.00001  -0.00009  -0.00005  -0.00014   1.91303
   A62        1.85757   0.00000   0.00008   0.00001   0.00008   1.85765
   A63        2.32055   0.00000   0.00011   0.00004   0.00017   2.32072
   A64        2.13644   0.00001  -0.00012   0.00000  -0.00013   2.13631
   A65        1.82604  -0.00001   0.00001  -0.00004  -0.00002   1.82602
   A66        1.91812   0.00002   0.00001   0.00003   0.00003   1.91816
   A67        2.24610   0.00001  -0.00010   0.00006  -0.00004   2.24607
   A68        2.11829  -0.00002   0.00008  -0.00008   0.00000   2.11829
   A69        1.90200   0.00000  -0.00001   0.00002   0.00001   1.90202
   A70        2.18851   0.00000  -0.00003  -0.00002  -0.00004   2.18847
   A71        2.19222   0.00000   0.00005  -0.00001   0.00004   2.19226
   A72        1.91670   0.00000  -0.00001   0.00001   0.00001   1.91671
   A73        2.18676   0.00000   0.00005   0.00004   0.00009   2.18685
   A74        2.17895  -0.00001  -0.00003  -0.00004  -0.00008   2.17887
   A75        1.86188  -0.00001  -0.00001  -0.00003  -0.00004   1.86184
   A76        2.19777   0.00003   0.00021   0.00053   0.00078   2.19856
   A77        2.19837  -0.00002  -0.00027  -0.00052  -0.00081   2.19756
   A78        1.94201   0.00000   0.00008  -0.00002   0.00006   1.94206
   A79        1.94055  -0.00001  -0.00011   0.00000  -0.00010   1.94045
   A80        1.92551  -0.00002   0.00007  -0.00010  -0.00004   1.92548
   A81        1.89008   0.00001   0.00000   0.00003   0.00003   1.89011
   A82        1.87706   0.00001  -0.00003   0.00003  -0.00001   1.87705
   A83        1.88646   0.00002  -0.00001   0.00007   0.00006   1.88652
   A84        1.95888  -0.00002   0.00014  -0.00009   0.00004   1.95892
   A85        1.90796   0.00000  -0.00006   0.00004  -0.00002   1.90793
   A86        1.90630   0.00000   0.00001   0.00000   0.00002   1.90632
   A87        1.91237   0.00000  -0.00013   0.00003  -0.00010   1.91228
   A88        1.91945   0.00001   0.00007  -0.00002   0.00005   1.91949
   A89        1.85600   0.00000  -0.00004   0.00006   0.00002   1.85602
   A90        2.30231  -0.00004   0.00019  -0.00009   0.00009   2.30240
   A91        2.15447   0.00002  -0.00019   0.00007  -0.00011   2.15436
   A92        1.82639   0.00001  -0.00001   0.00002   0.00002   1.82640
   A93        1.91790  -0.00001  -0.00002  -0.00002  -0.00004   1.91786
   A94        2.24964   0.00000  -0.00006  -0.00002  -0.00009   2.24956
   A95        2.11563   0.00002   0.00008   0.00005   0.00012   2.11576
   A96        1.89968   0.00000  -0.00002   0.00001   0.00000   1.89967
   A97        2.19030   0.00002  -0.00002   0.00005   0.00003   2.19033
   A98        2.19308  -0.00001   0.00003  -0.00006  -0.00003   2.19305
   A99        1.91553   0.00001   0.00008  -0.00003   0.00005   1.91558
   A100       2.18886   0.00001  -0.00004   0.00013   0.00009   2.18896
   A101       2.17854  -0.00002  -0.00004  -0.00010  -0.00015   2.17839
   A102       1.86525  -0.00001  -0.00005   0.00002  -0.00002   1.86522
   A103       2.21209   0.00001  -0.00029   0.00014  -0.00017   2.21192
   A104       2.19065   0.00000   0.00038  -0.00005   0.00035   2.19099
   A105       1.71228   0.00000  -0.00022   0.00057   0.00035   1.71263
   A106       1.55996  -0.00001   0.00109  -0.00026   0.00081   1.56077
   A107       1.68743   0.00002   0.00030  -0.00034  -0.00001   1.68742
   A108       3.00403  -0.00001   0.00006  -0.00017  -0.00009   3.00394
   A109       1.66367   0.00001   0.00047  -0.00035   0.00013   1.66380
   A110       1.71921   0.00003   0.00077   0.00037   0.00114   1.72035
   A111       1.61301   0.00000  -0.00060   0.00010  -0.00053   1.61247
   A112       1.48412   0.00001   0.00009   0.00056   0.00063   1.48475
   A113       2.89842  -0.00001  -0.00047  -0.00025  -0.00070   2.89773
   A114       2.90869  -0.00003  -0.00092  -0.00014  -0.00105   2.90763
   A115       1.44849   0.00000  -0.00104   0.00037  -0.00068   1.44781
   A116       1.48885  -0.00002  -0.00033  -0.00018  -0.00048   1.48837
   A117       1.57747  -0.00001  -0.00031  -0.00003  -0.00034   1.57714
   A118       1.43660  -0.00001  -0.00017  -0.00019  -0.00037   1.43624
   A119       1.43338  -0.00002  -0.00025  -0.00079  -0.00103   1.43235
   A120       2.10413   0.00002  -0.00015  -0.00013  -0.00028   2.10385
   A121       2.17765   0.00000  -0.00022   0.00049   0.00025   2.17790
   A122       1.77271  -0.00004  -0.00071  -0.00069  -0.00139   1.77132
   A123       2.06255   0.00004   0.00121   0.00168   0.00289   2.06544
   A124       2.91642  -0.00004  -0.00015  -0.00088  -0.00104   2.91539
   A125       2.13097  -0.00001  -0.00032   0.00014  -0.00018   2.13079
   A126       2.11460   0.00002   0.00029   0.00000   0.00029   2.11488
   A127       2.03746  -0.00001   0.00004  -0.00013  -0.00009   2.03737
   A128       2.29572   0.00001   0.00006   0.00037   0.00042   2.29615
   A129       2.14569  -0.00002  -0.00034   0.00010  -0.00024   2.14546
   A130       2.07008   0.00002   0.00021  -0.00004   0.00017   2.07025
   A131       2.06710   0.00000   0.00010  -0.00007   0.00003   2.06713
   A132       1.98083  -0.00001   0.00023   0.00001   0.00024   1.98106
   A133       1.90332  -0.00001   0.00004  -0.00002   0.00002   1.90334
   A134       1.90226   0.00000   0.00004  -0.00003   0.00001   1.90227
   A135       1.82003   0.00001  -0.00010  -0.00006  -0.00016   1.81986
   A136       1.94891   0.00001  -0.00018   0.00006  -0.00012   1.94879
   A137       1.90569   0.00000  -0.00004   0.00004   0.00000   1.90569
   A138       2.09887   0.00002   0.00026  -0.00019   0.00006   2.09893
   A139       2.03146   0.00006  -0.00001   0.00004   0.00004   2.03150
   A140       2.15075  -0.00007  -0.00027   0.00016  -0.00010   2.15065
   A141       2.07531  -0.00004   0.00013  -0.00050  -0.00037   2.07494
   A142       2.06345   0.00005   0.00013  -0.00003   0.00010   2.06355
   A143       2.16088  -0.00010  -0.00003  -0.00004  -0.00007   2.16081
   A144       2.03952   0.00005   0.00010  -0.00009   0.00001   2.03953
   A145       1.91390  -0.00001  -0.00005   0.00009   0.00004   1.91394
   A146       1.89557  -0.00002  -0.00004  -0.00013  -0.00017   1.89540
   A147       1.90483   0.00002  -0.00001   0.00011   0.00010   1.90493
   A148       1.91107   0.00001  -0.00012   0.00004  -0.00007   1.91099
   A149       1.92938   0.00003   0.00036  -0.00001   0.00035   1.92973
   A150       1.90874  -0.00003  -0.00015  -0.00011  -0.00026   1.90848
   A151       1.90412   0.00003   0.00017   0.00003   0.00020   1.90432
   A152       1.90414   0.00001  -0.00002   0.00008   0.00006   1.90420
   A153       1.97697  -0.00001  -0.00009   0.00002  -0.00007   1.97690
   A154       1.87670  -0.00002  -0.00005  -0.00008  -0.00013   1.87658
   A155       1.89325  -0.00001  -0.00003   0.00002  -0.00002   1.89323
   A156       1.90607   0.00000   0.00002  -0.00007  -0.00005   1.90602
    D1        3.10997   0.00001   0.00022   0.00016   0.00038   3.11034
    D2        1.00602  -0.00001   0.00009   0.00007   0.00016   1.00618
    D3       -1.01979   0.00000   0.00012   0.00007   0.00019  -1.01961
    D4        1.01944   0.00000   0.00027   0.00012   0.00039   1.01984
    D5       -1.08450  -0.00001   0.00015   0.00003   0.00017  -1.08433
    D6       -3.11031  -0.00001   0.00018   0.00002   0.00020  -3.11011
    D7       -1.08990   0.00001   0.00022   0.00024   0.00046  -1.08943
    D8        3.08934   0.00000   0.00010   0.00015   0.00024   3.08959
    D9        1.06353   0.00000   0.00013   0.00014   0.00027   1.06380
   D10       -2.12609  -0.00001  -0.00032   0.00100   0.00068  -2.12541
   D11        1.01767   0.00000   0.00038   0.00073   0.00110   1.01877
   D12       -0.00576   0.00000  -0.00024   0.00111   0.00086  -0.00490
   D13        3.13799   0.00001   0.00045   0.00083   0.00128   3.13928
   D14        2.01087   0.00000  -0.00032   0.00109   0.00076   2.01163
   D15       -1.12855   0.00001   0.00037   0.00081   0.00118  -1.12737
   D16       -3.13724  -0.00002   0.00030  -0.00046  -0.00016  -3.13740
   D17        0.01860   0.00000   0.00088  -0.00041   0.00047   0.01907
   D18        0.00247  -0.00003  -0.00030  -0.00022  -0.00053   0.00195
   D19       -3.12487  -0.00001   0.00028  -0.00017   0.00010  -3.12477
   D20        3.13830   0.00001  -0.00060   0.00034  -0.00026   3.13804
   D21       -0.01678   0.00001   0.00035   0.00044   0.00079  -0.01599
   D22       -0.00163   0.00001  -0.00007   0.00013   0.00006  -0.00157
   D23        3.12648   0.00002   0.00088   0.00023   0.00111   3.12759
   D24       -0.00242   0.00004   0.00057   0.00024   0.00081  -0.00162
   D25        3.10644   0.00002  -0.00110   0.00083  -0.00031   3.10613
   D26        3.12608   0.00002   0.00003   0.00019   0.00023   3.12630
   D27       -0.04825   0.00000  -0.00164   0.00078  -0.00089  -0.04914
   D28        0.00017   0.00001   0.00044   0.00001   0.00045   0.00062
   D29       -3.13685   0.00001  -0.00007   0.00030   0.00023  -3.13663
   D30       -3.12789   0.00001  -0.00051  -0.00009  -0.00060  -3.12849
   D31        0.01827   0.00001  -0.00102   0.00020  -0.00083   0.01744
   D32        0.00136  -0.00003  -0.00062  -0.00015  -0.00076   0.00059
   D33       -3.10788   0.00000   0.00113  -0.00073   0.00037  -3.10751
   D34        3.13826  -0.00003  -0.00009  -0.00044  -0.00053   3.13773
   D35        0.02902   0.00000   0.00165  -0.00102   0.00061   0.02963
   D36        1.95739   0.00001  -0.00017  -0.00152  -0.00171   1.95569
   D37       -2.60662   0.00004   0.00076  -0.00118  -0.00043  -2.60706
   D38        0.32696   0.00000   0.00042  -0.00164  -0.00120   0.32575
   D39       -2.35311   0.00003  -0.00110   0.00692   0.00584  -2.34727
   D40       -1.11914   0.00002   0.00052  -0.00138  -0.00085  -1.11999
   D41       -1.22315  -0.00002  -0.00221  -0.00082  -0.00305  -1.22621
   D42        0.49602   0.00001  -0.00128  -0.00048  -0.00178   0.49424
   D43       -2.85359  -0.00002  -0.00162  -0.00094  -0.00255  -2.85614
   D44        0.74953   0.00000  -0.00314   0.00762   0.00449   0.75402
   D45        1.98350  -0.00001  -0.00152  -0.00068  -0.00219   1.98130
   D46        1.06127   0.00000   0.00040   0.00030   0.00070   1.06197
   D47       -3.09940  -0.00001   0.00025   0.00025   0.00050  -3.09890
   D48       -1.04639  -0.00001   0.00037   0.00021   0.00058  -1.04581
   D49       -1.03821   0.00002   0.00026   0.00052   0.00078  -1.03743
   D50        1.08431   0.00001   0.00012   0.00046   0.00058   1.08489
   D51        3.13732   0.00001   0.00024   0.00042   0.00066   3.13798
   D52       -3.12776   0.00000   0.00035   0.00035   0.00070  -3.12706
   D53       -1.00525  -0.00001   0.00020   0.00030   0.00050  -1.00475
   D54        1.04777  -0.00001   0.00032   0.00026   0.00058   1.04835
   D55       -1.08441   0.00001  -0.00042   0.00025  -0.00018  -1.08459
   D56        1.04181   0.00000  -0.00049   0.00009  -0.00040   1.04140
   D57        3.11756   0.00000  -0.00038   0.00016  -0.00022   3.11733
   D58        3.06979   0.00000  -0.00017   0.00016  -0.00002   3.06978
   D59       -1.08718  -0.00001  -0.00024   0.00000  -0.00024  -1.08742
   D60        0.98857  -0.00001  -0.00012   0.00006  -0.00006   0.98851
   D61        1.03517   0.00000  -0.00032   0.00028  -0.00004   1.03512
   D62       -3.12180   0.00000  -0.00039   0.00012  -0.00027  -3.12207
   D63       -1.04605   0.00000  -0.00028   0.00019  -0.00009  -1.04614
   D64       -0.86685   0.00000  -0.00026  -0.00168  -0.00193  -0.86879
   D65        2.23834   0.00000  -0.00060  -0.00151  -0.00211   2.23623
   D66       -3.01489   0.00000  -0.00015  -0.00155  -0.00170  -3.01659
   D67        0.09030   0.00000  -0.00049  -0.00139  -0.00188   0.08843
   D68        1.22440  -0.00002  -0.00022  -0.00174  -0.00196   1.22244
   D69       -1.95359  -0.00002  -0.00056  -0.00158  -0.00214  -1.95573
   D70        2.98340  -0.00001   0.00112   0.00006   0.00118   2.98458
   D71       -0.11973  -0.00001   0.00148  -0.00012   0.00137  -0.11836
   D72       -2.99271   0.00000  -0.00082  -0.00045  -0.00127  -2.99398
   D73        0.11178   0.00000  -0.00117  -0.00028  -0.00144   0.11034
   D74        0.00169   0.00003  -0.00123   0.00111  -0.00013   0.00156
   D75        0.25996   0.00000  -0.00177  -0.00151  -0.00330   0.25665
   D76       -1.04628  -0.00001   0.00042  -0.00064  -0.00022  -1.04651
   D77        1.07621  -0.00001   0.00058  -0.00068  -0.00010   1.07611
   D78        3.09904   0.00000   0.00064  -0.00067  -0.00003   3.09901
   D79       -3.13523   0.00000   0.00024  -0.00049  -0.00025  -3.13548
   D80       -1.01274   0.00000   0.00041  -0.00053  -0.00012  -1.01286
   D81        1.01009   0.00001   0.00047  -0.00052  -0.00005   1.01004
   D82        1.06261  -0.00001   0.00036  -0.00061  -0.00026   1.06235
   D83       -3.09808   0.00000   0.00052  -0.00065  -0.00013  -3.09822
   D84       -1.07526   0.00000   0.00058  -0.00064  -0.00006  -1.07532
   D85       -0.10072   0.00000  -0.00046  -0.00112  -0.00159  -0.10231
   D86        3.01922   0.00001  -0.00030  -0.00045  -0.00075   3.01846
   D87       -2.22169   0.00001  -0.00070  -0.00102  -0.00172  -2.22342
   D88        0.89825   0.00002  -0.00054  -0.00035  -0.00089   0.89736
   D89        2.03371   0.00001  -0.00076  -0.00101  -0.00176   2.03195
   D90       -1.12954   0.00002  -0.00060  -0.00033  -0.00093  -1.13047
   D91        3.11812   0.00001   0.00010   0.00069   0.00078   3.11890
   D92        0.01587   0.00001   0.00030   0.00052   0.00082   0.01669
   D93       -0.00458   0.00000  -0.00004   0.00010   0.00006  -0.00453
   D94       -3.10683   0.00000   0.00016  -0.00007   0.00009  -3.10674
   D95       -3.11868   0.00000  -0.00003  -0.00030  -0.00033  -3.11901
   D96       -0.00786  -0.00001   0.00062  -0.00068  -0.00006  -0.00792
   D97        0.00653   0.00001   0.00010   0.00021   0.00030   0.00683
   D98        3.11736   0.00000   0.00074  -0.00017   0.00057   3.11793
   D99        0.00096  -0.00001  -0.00003  -0.00037  -0.00040   0.00056
   D100      -2.91206   0.00001   0.00025  -0.00022   0.00004  -2.91202
   D101       3.10659   0.00000  -0.00022  -0.00022  -0.00043   3.10615
   D102       0.19357   0.00002   0.00006  -0.00006   0.00001   0.19357
   D103      -0.00627  -0.00001  -0.00012  -0.00045  -0.00057  -0.00685
   D104       3.09447   0.00000   0.00015  -0.00003   0.00012   3.09459
   D105      -3.11702  -0.00001  -0.00076  -0.00008  -0.00084  -3.11786
   D106      -0.01627   0.00001  -0.00049   0.00034  -0.00014  -0.01642
   D107       0.00326   0.00001   0.00009   0.00050   0.00059   0.00385
   D108       2.91618   0.00000  -0.00012   0.00053   0.00042   2.91660
   D109      -3.09771   0.00000  -0.00018   0.00008  -0.00010  -3.09781
   D110      -0.18479  -0.00001  -0.00039   0.00011  -0.00027  -0.18506
   D111      -0.47745  -0.00001   0.00290   0.00037   0.00326  -0.47419
   D112      -2.05847  -0.00001   0.00173   0.00050   0.00222  -2.05626
   D113       1.21733   0.00000   0.00311   0.00008   0.00319   1.22052
   D114       2.79116   0.00000   0.00286   0.00006   0.00293   2.79409
   D115       2.39195  -0.00004   0.00032   0.00004   0.00038   2.39232
   D116       2.93561   0.00001   0.00319   0.00045   0.00363   2.93924
   D117       1.35459   0.00001   0.00201   0.00058   0.00258   1.35717
   D118      -1.65279   0.00002   0.00340   0.00016   0.00356  -1.64924
   D119      -0.07896   0.00001   0.00314   0.00014   0.00329  -0.07567
   D120      -0.47817  -0.00002   0.00060   0.00012   0.00074  -0.47743
   D121      -1.05669  -0.00001  -0.00016   0.00015  -0.00001  -1.05670
   D122       3.10089   0.00000  -0.00004   0.00015   0.00010   3.10099
   D123       1.07674   0.00000   0.00003   0.00006   0.00008   1.07683
   D124       1.05175   0.00000  -0.00018   0.00018   0.00000   1.05175
   D125      -1.07386   0.00000  -0.00006   0.00017   0.00011  -1.07374
   D126      -3.09800   0.00000   0.00001   0.00008   0.00009  -3.09791
   D127      -3.13864   0.00000  -0.00022   0.00020  -0.00002  -3.13865
   D128       1.01894   0.00000  -0.00010   0.00020   0.00010   1.01903
   D129      -1.00520   0.00000  -0.00003   0.00011   0.00008  -1.00513
   D130       0.37138   0.00000   0.00065  -0.00058   0.00007   0.37145
   D131      -2.76332   0.00001   0.00095  -0.00038   0.00057  -2.76275
   D132       2.49446  -0.00001   0.00057  -0.00057   0.00000   2.49446
   D133      -0.64023   0.00000   0.00087  -0.00037   0.00050  -0.63974
   D134      -1.75457   0.00000   0.00049  -0.00050   0.00000  -1.75458
   D135       1.39391   0.00001   0.00079  -0.00030   0.00049   1.39441
   D136      -3.12807   0.00002   0.00037   0.00021   0.00059  -3.12749
   D137       0.01030   0.00002   0.00091   0.00054   0.00145   0.01175
   D138       0.00757   0.00001   0.00011   0.00004   0.00016   0.00773
   D139      -3.13724   0.00000   0.00066   0.00037   0.00102  -3.13622
   D140       3.12850  -0.00001  -0.00023  -0.00003  -0.00026   3.12823
   D141       0.00341  -0.00001   0.00004  -0.00022  -0.00018   0.00323
   D142      -0.00779   0.00001   0.00000   0.00013   0.00012  -0.00767
   D143      -3.13288   0.00000   0.00027  -0.00006   0.00021  -3.13268
   D144      -0.00460  -0.00002  -0.00019  -0.00019  -0.00038  -0.00499
   D145       2.95758  -0.00001   0.00010   0.00045   0.00055   2.95813
   D146       3.13993  -0.00001  -0.00068  -0.00049  -0.00117   3.13875
   D147      -0.18108  -0.00001  -0.00039   0.00015  -0.00024  -0.18132
   D148       0.00530  -0.00002  -0.00012  -0.00025  -0.00037   0.00493
   D149      -3.11308   0.00000  -0.00024   0.00015  -0.00009  -3.11317
   D150       3.13036  -0.00001  -0.00039  -0.00006  -0.00046   3.12990
   D151       0.01197   0.00001  -0.00051   0.00034  -0.00017   0.01180
   D152      -0.00048   0.00002   0.00019   0.00027   0.00046  -0.00002
   D153      -2.96548   0.00001  -0.00002  -0.00038  -0.00039  -2.96587
   D154       3.11807   0.00000   0.00030  -0.00012   0.00018   3.11825
   D155       0.15307  -0.00001   0.00010  -0.00077  -0.00067   0.15240
   D156      -1.44550   0.00001   0.00236  -0.00046   0.00190  -1.44360
   D157       0.26673   0.00000   0.00230   0.00007   0.00239   0.26912
   D158       2.79054   0.00002  -0.00230   0.00269   0.00040   2.79094
   D159       1.73075   0.00001   0.00212   0.00066   0.00277   1.73352
   D160      -3.11038  -0.00001   0.00197  -0.00014   0.00183  -3.10856
   D161       1.48472   0.00001   0.00264   0.00030   0.00295   1.48767
   D162      -3.08623   0.00001   0.00259   0.00084   0.00344  -3.08279
   D163      -0.56242   0.00002  -0.00201   0.00345   0.00144  -0.56097
   D164      -1.62221   0.00001   0.00241   0.00142   0.00382  -1.61840
   D165      -0.18016   0.00000   0.00226   0.00062   0.00288  -0.17728
   D166       1.75333   0.00001  -0.00115   0.00051  -0.00066   1.75267
   D167      -0.58366   0.00004   0.00078   0.00131   0.00208  -0.58158
   D168       0.03495   0.00001  -0.00088  -0.00006  -0.00095   0.03401
   D169      -2.30204   0.00004   0.00105   0.00074   0.00180  -2.30025
   D170      -2.49603  -0.00001   0.00356  -0.00267   0.00088  -2.49515
   D171       1.45016   0.00002   0.00550  -0.00187   0.00363   1.45379
   D172      -1.44937   0.00000  -0.00096  -0.00062  -0.00157  -1.45093
   D173       2.49682   0.00003   0.00098   0.00018   0.00118   2.49800
   D174      -2.88057   0.00002  -0.00074   0.00017  -0.00056  -2.88114
   D175       1.06562   0.00005   0.00120   0.00097   0.00218   1.06780
   D176       1.04041   0.00001   0.00184  -0.00675  -0.00492   1.03550
   D177       3.02758   0.00003   0.00088   0.00166   0.00257   3.03015
   D178       1.29586   0.00000   0.00000   0.00141   0.00143   1.29729
   D179      -1.64302   0.00003   0.00031   0.00176   0.00207  -1.64095
   D180      -0.20863   0.00001   0.00018   0.00155   0.00171  -0.20692
   D181       2.09523  -0.00001   0.00005  -0.00168  -0.00161   2.09362
   D182      -0.77576   0.00001   0.00264  -0.00139   0.00125  -0.77451
   D183      -2.63573  -0.00002   0.00107  -0.00193  -0.00085  -2.63658
   D184       0.41888  -0.00003  -0.00018  -0.00137  -0.00155   0.41733
   D185      -1.17739  -0.00002   0.00007  -0.00148  -0.00140  -1.17880
   D186      -2.39341   0.00000   0.00165  -0.00086   0.00079  -2.39263
   D187       0.09946  -0.00002   0.00023  -0.00108  -0.00087   0.09859
   D188       2.07936   0.00002   0.00066   0.00205   0.00269   2.08205
   D189      -0.37637   0.00002   0.00214   0.00263   0.00475  -0.37161
   D190       0.90124   0.00000  -0.00074  -0.00129  -0.00202   0.89922
   D191      -2.26006   0.00001  -0.00035  -0.00089  -0.00124  -2.26130
   D192       0.07803  -0.00001   0.00066   0.00024   0.00090   0.07893
   D193      -3.09082  -0.00002  -0.00030  -0.00031  -0.00061  -3.09144
   D194      -3.04468  -0.00001   0.00028  -0.00014   0.00014  -3.04453
   D195       0.06966  -0.00002  -0.00068  -0.00069  -0.00137   0.06829
   D196      -1.15276   0.00000  -0.00004   0.00063   0.00059  -1.15217
   D197       0.89283   0.00000  -0.00002   0.00060   0.00059   0.89342
   D198       3.01983   0.00000  -0.00006   0.00058   0.00052   3.02034
   D199       1.97014   0.00001   0.00033   0.00101   0.00134   1.97147
   D200      -2.26746   0.00001   0.00035   0.00098   0.00133  -2.26613
   D201      -0.14046   0.00000   0.00031   0.00096   0.00126  -0.13920
   D202      -1.44679  -0.00001  -0.00052   0.00007  -0.00046  -1.44725
   D203       0.57365  -0.00001  -0.00048  -0.00002  -0.00051   0.57314
   D204       2.65262  -0.00002  -0.00048   0.00000  -0.00049   2.65213
   D205       1.72201   0.00000   0.00044   0.00062   0.00105   1.72306
   D206      -2.54073   0.00000   0.00048   0.00053   0.00100  -2.53973
   D207      -0.46176  -0.00001   0.00048   0.00055   0.00102  -0.46074
   D208       0.70262   0.00000   0.00060  -0.00041   0.00019   0.70281
   D209      -2.50627  -0.00001   0.00031  -0.00022   0.00009  -2.50618
   D210      -1.36645   0.00001   0.00049  -0.00035   0.00014  -1.36631
   D211       1.70784   0.00000   0.00021  -0.00016   0.00004   1.70788
   D212       2.86114   0.00000   0.00069  -0.00039   0.00029   2.86143
   D213      -0.34775  -0.00001   0.00040  -0.00021   0.00019  -0.34756
   D214       1.00167   0.00003   0.00039   0.00132   0.00171   1.00338
   D215      -2.06784   0.00004   0.00069   0.00112   0.00181  -2.06603
   D216       0.00264  -0.00002   0.00086  -0.00099  -0.00013   0.00251
   D217      -2.92200   0.00001  -0.00027  -0.00005  -0.00032  -2.92233
   D218       3.07474  -0.00003   0.00058  -0.00081  -0.00022   3.07451
   D219       0.15009   0.00000  -0.00055   0.00013  -0.00041   0.14967
   D220      -2.46518   0.00002   0.00001   0.00315   0.00316  -2.46202
   D221      -0.37744   0.00001  -0.00019   0.00318   0.00299  -0.37445
   D222       1.70218  -0.00003  -0.00040   0.00303   0.00264   1.70481
   D223       0.89062   0.00004  -0.00110   0.00406   0.00296   0.89359
   D224       2.97836   0.00003  -0.00130   0.00410   0.00279   2.98116
   D225      -1.22520   0.00000  -0.00151   0.00395   0.00244  -1.22276
         Item               Value     Threshold  Converged?
 Maximum Force            0.000141     0.000450     YES
 RMS     Force            0.000023     0.000300     YES
 Maximum Displacement     0.020268     0.001800     NO 
 RMS     Displacement     0.004129     0.001200     NO 
 Predicted change in Energy=-2.070613D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.073535    2.548106    3.552891
      2          6           0       -3.333998    1.188330    3.647647
      3          6           0       -2.086049    1.115485    2.811778
      4          6           0       -1.701209    0.259572    1.790523
      5          7           0       -1.008950    2.003414    2.965872
      6          6           0       -0.031110    1.668071    2.061594
      7          7           0       -0.419158    0.612178    1.331638
      8          6           0       -5.230026    0.903730    0.140920
      9          6           0       -5.876867   -0.175478   -0.754989
     10          6           0       -5.243518   -1.575772   -0.564921
     11          6           0       -3.766566   -1.572333   -0.951225
     12          8           0       -3.386899   -1.082981   -2.065259
     13          8           0       -2.905629   -2.062515   -0.052740
     14          6           0       -2.259535    4.235256   -2.989828
     15          6           0       -0.974938    3.850926   -3.753724
     16          6           0       -0.178472    2.769700   -3.071514
     17          6           0       -0.311103    2.125659   -1.850737
     18          7           0        0.945073    2.171666   -3.668029
     19          6           0        1.439285    1.207993   -2.823474
     20          7           0        0.698353    1.158045   -1.708066
     21          6           0        4.688266    3.998476    1.490058
     22          6           0        5.161092    2.619946    2.000589
     23          6           0        4.191559    1.521489    1.655503
     24          6           0        3.203349    1.428025    0.685843
     25          7           0        4.131271    0.298533    2.342882
     26          6           0        3.131960   -0.472017    1.792605
     27          7           0        2.553312    0.190279    0.785375
     28         30           0        0.756984   -0.398044   -0.222173
     29          1           0       -4.987636    2.525291    4.157569
     30          1           0       -4.354215    2.768968    2.517036
     31          1           0       -3.455660    3.377571    3.924407
     32          1           0       -4.003357    0.386430    3.317977
     33          1           0       -3.093931    0.978666    4.701104
     34          1           0       -2.253772   -0.560958    1.355417
     35          1           0       -0.967811    2.769006    3.625866
     36          1           0        0.907614    2.189129    1.971238
     37          1           0       -4.162798    1.015066   -0.088871
     38          1           0       -5.327983    0.639926    1.203684
     39          1           0       -5.713981    1.878139   -0.010367
     40          1           0       -6.952635   -0.238368   -0.537701
     41          1           0       -5.770162    0.110801   -1.808491
     42          1           0       -5.341660   -1.918368    0.471599
     43          1           0       -5.764648   -2.297105   -1.210354
     44          1           0       -2.927111    3.372297   -2.882498
     45          1           0       -2.800873    5.018383   -3.532067
     46          1           0       -2.027352    4.619734   -1.988623
     47          1           0       -1.247838    3.513650   -4.764943
     48          1           0       -0.347621    4.746290   -3.882732
     49          1           0       -1.065808    2.264089   -1.095047
     50          1           0        1.311603    2.396451   -4.584378
     51          1           0        2.272614    0.559791   -3.038390
     52          1           0        4.582510    4.003642    0.398419
     53          1           0        3.722698    4.274347    1.930784
     54          1           0        5.416840    4.772759    1.755029
     55          1           0        5.296285    2.662702    3.091331
     56          1           0        6.150204    2.395748    1.574661
     57          1           0        2.917909    2.150297   -0.060822
     58          1           0        4.717007    0.034424    3.125092
     59          1           0        2.839858   -1.451915    2.132820
     60          8           0       -0.790460   -1.392850   -1.080398
     61          1           0       -1.202854   -1.057359   -1.907787
     62          1           0       -1.673080   -1.779241   -0.535035
     63          6           0        2.986624   -2.521688   -1.575066
     64          8           0        2.288264   -1.471219   -1.703436
     65          7           0        2.441556   -3.712804   -1.182894
     66          6           0        1.003708   -3.899961   -0.973257
     67          6           0        0.521223   -3.438783    0.409802
     68          8           0        0.981811   -2.366382    0.927240
     69          7           0       -0.451908   -4.177556    0.982827
     70          1           0        0.453049   -3.263637   -1.677953
     71          1           0        0.749678   -4.948592   -1.161001
     72          1           0        3.055273   -4.508347   -1.054699
     73          1           0       -0.802949   -4.984395    0.477098
     74          6           0       -1.220311   -3.746838    2.167090
     75          1           0       -1.389347   -4.603187    2.827953
     76          1           0       -0.644968   -2.985335    2.697441
     77          1           0       -2.175068   -3.318460    1.839924
     78          6           0        4.474486   -2.517809   -1.876179
     79          1           0        4.623404   -2.339070   -2.947720
     80          1           0        4.947239   -1.691775   -1.335497
     81          1           0        4.972414   -3.455388   -1.608352
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968939      0.0727075      0.0659389
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4910.7701406100 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33674 LenP2D=  122043.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000366   -0.000277   -0.000486 Ang=   0.08 deg.
 ExpMin= 3.51D-02 ExpMax= 7.82D+03 ExpMxC= 2.73D+02 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  402 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  402 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97580932     A.U. after    9 cycles
            NFock=  9  Conv=0.43D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33674 LenP2D=  122043.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000023117    0.000015454    0.000006252
      3        6           0.000018896    0.000021283    0.000003433
      4        6           0.000022279    0.000034761    0.000006537
      5        7          -0.000082480    0.000003058   -0.000017592
      6        6           0.000139436    0.000009482    0.000059561
      7        7          -0.000113760   -0.000099862   -0.000025149
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000017755    0.000009062    0.000048466
     10        6          -0.000038611    0.000002833    0.000016483
     11        6          -0.000048745    0.000045515    0.000109883
     12        8          -0.000136655    0.000001257   -0.000019509
     13        8           0.000231579    0.000075691   -0.000125230
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000010507   -0.000034396    0.000021985
     16        6           0.000028554    0.000013578    0.000035340
     17        6           0.000046844   -0.000030485   -0.000053325
     18        7          -0.000052105    0.000012101   -0.000011366
     19        6          -0.000011059   -0.000019311    0.000009519
     20        7           0.000014419    0.000003681   -0.000010782
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000002331    0.000010522   -0.000006312
     23        6          -0.000064543    0.000046705   -0.000002835
     24        6           0.000031575    0.000007860    0.000022580
     25        7           0.000039404   -0.000037372   -0.000002071
     26        6          -0.000041697    0.000016048    0.000007866
     27        7           0.000094935   -0.000016562   -0.000050861
     28       30          -0.000036488   -0.000093668    0.000002350
     29        1           0.000008639    0.000001549    0.000003793
     30        1          -0.000029274    0.000019139    0.000045620
     31        1           0.000015447    0.000046394   -0.000033943
     32        1          -0.000027261   -0.000036764    0.000032022
     33        1           0.000033537   -0.000022989   -0.000047092
     34        1           0.000009928    0.000017956    0.000006749
     35        1           0.000000867   -0.000008156   -0.000008405
     36        1          -0.000016115    0.000008122    0.000014903
     37        1          -0.000022475    0.000005006   -0.000000792
     38        1          -0.000015170   -0.000004610   -0.000009270
     39        1          -0.000011967    0.000008462   -0.000000052
     40        1          -0.000001866    0.000007955   -0.000023326
     41        1           0.000015927   -0.000011420   -0.000009122
     42        1          -0.000010971   -0.000018442   -0.000007921
     43        1           0.000019932   -0.000024224   -0.000010441
     44        1           0.000000905   -0.000006527   -0.000014768
     45        1           0.000007354    0.000010499    0.000002191
     46        1           0.000004506    0.000000451   -0.000008145
     47        1           0.000015745    0.000009755    0.000005326
     48        1          -0.000012817    0.000014891   -0.000020641
     49        1          -0.000009811    0.000004280    0.000014773
     50        1           0.000009477    0.000022461   -0.000012788
     51        1          -0.000009933   -0.000016743    0.000017449
     52        1          -0.000004464    0.000002718   -0.000000776
     53        1          -0.000011203    0.000003484   -0.000006825
     54        1          -0.000005987    0.000008386   -0.000003013
     55        1           0.000004753   -0.000003977   -0.000001864
     56        1           0.000000762   -0.000002848    0.000000376
     57        1           0.000004312    0.000001594    0.000003049
     58        1          -0.000004731    0.000010492   -0.000006440
     59        1           0.000022759    0.000004122    0.000008194
     60        8          -0.000105097    0.000127939   -0.000027394
     61        1           0.000152558    0.000013673   -0.000004191
     62        1          -0.000130968   -0.000232366    0.000100648
     63        6           0.000050743    0.000092142    0.000056753
     64        8           0.000001339   -0.000013196   -0.000026695
     65        7          -0.000008733   -0.000068418   -0.000001165
     66        6           0.000006343    0.000038989    0.000017108
     67        6          -0.000026098   -0.000023148    0.000004459
     68        8          -0.000008974    0.000105296   -0.000046487
     69        7          -0.000036193    0.000058056    0.000037751
     70        1           0.000000240   -0.000009046   -0.000000402
     71        1          -0.000007484   -0.000013051   -0.000015461
     72        1           0.000005396   -0.000003308    0.000003937
     73        1           0.000040214   -0.000026152   -0.000024693
     74        6           0.000004239   -0.000010612   -0.000014028
     75        1          -0.000005015   -0.000008401    0.000001761
     76        1           0.000009805   -0.000016997   -0.000011836
     77        1          -0.000005404    0.000004094    0.000004664
     78        6          -0.000001147    0.000009508   -0.000030592
     79        1          -0.000007527   -0.000003835    0.000013204
     80        1          -0.000003537   -0.000005547    0.000003969
     81        1           0.000003074   -0.000005428    0.000001157
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000232366 RMS     0.000041872

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000148602 RMS     0.000020513
 Search for a local minimum.
 Step number  39 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
 DE= -3.29D-06 DEPred=-2.07D-06 R= 1.59D+00
 TightC=F SS=  1.41D+00  RLast= 2.49D-02 DXNew= 5.0454D+00 7.4823D-02
 Trust test= 1.59D+00 RLast= 2.49D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00086   0.00108   0.00196   0.00230   0.00230
     Eigenvalues ---    0.00233   0.00240   0.00265   0.00328   0.00388
     Eigenvalues ---    0.00513   0.00536   0.00632   0.00643   0.00681
     Eigenvalues ---    0.00755   0.00795   0.00833   0.00896   0.00942
     Eigenvalues ---    0.01141   0.01228   0.01296   0.01361   0.01461
     Eigenvalues ---    0.01534   0.01625   0.01710   0.01762   0.01784
     Eigenvalues ---    0.01809   0.01834   0.01919   0.01942   0.01972
     Eigenvalues ---    0.02036   0.02096   0.02126   0.02256   0.02272
     Eigenvalues ---    0.02335   0.02395   0.02432   0.02596   0.02873
     Eigenvalues ---    0.02993   0.03447   0.03668   0.03925   0.03985
     Eigenvalues ---    0.04098   0.04132   0.04242   0.04437   0.04490
     Eigenvalues ---    0.04805   0.04841   0.04991   0.05202   0.05320
     Eigenvalues ---    0.05356   0.05381   0.05392   0.05424   0.05426
     Eigenvalues ---    0.05474   0.05507   0.05512   0.05529   0.05559
     Eigenvalues ---    0.05663   0.06086   0.06278   0.06881   0.06985
     Eigenvalues ---    0.07372   0.07480   0.07658   0.07741   0.08301
     Eigenvalues ---    0.08596   0.08763   0.09196   0.09325   0.09479
     Eigenvalues ---    0.09677   0.10045   0.10344   0.10775   0.11038
     Eigenvalues ---    0.12011   0.12291   0.12519   0.12901   0.12942
     Eigenvalues ---    0.13045   0.13357   0.14205   0.14487   0.15073
     Eigenvalues ---    0.15292   0.15800   0.15839   0.15921   0.15951
     Eigenvalues ---    0.15979   0.15988   0.15990   0.15995   0.15996
     Eigenvalues ---    0.15999   0.16000   0.16001   0.16002   0.16004
     Eigenvalues ---    0.16009   0.16011   0.16012   0.16022   0.16031
     Eigenvalues ---    0.16043   0.16052   0.16062   0.16103   0.16116
     Eigenvalues ---    0.16159   0.16204   0.16320   0.16433   0.16456
     Eigenvalues ---    0.16730   0.18041   0.20445   0.20718   0.21165
     Eigenvalues ---    0.21464   0.22135   0.22357   0.22452   0.22838
     Eigenvalues ---    0.22961   0.23011   0.23189   0.23618   0.23901
     Eigenvalues ---    0.24059   0.24259   0.24430   0.24729   0.25088
     Eigenvalues ---    0.25191   0.26168   0.27378   0.27683   0.28175
     Eigenvalues ---    0.28238   0.28370   0.28741   0.29208   0.30247
     Eigenvalues ---    0.30732   0.30894   0.31537   0.31659   0.31938
     Eigenvalues ---    0.33594   0.33621   0.33632   0.33663   0.33671
     Eigenvalues ---    0.33778   0.33806   0.33851   0.33868   0.33917
     Eigenvalues ---    0.33934   0.33955   0.33985   0.33999   0.34008
     Eigenvalues ---    0.34032   0.34048   0.34083   0.34085   0.34121
     Eigenvalues ---    0.34138   0.34176   0.34180   0.34192   0.34215
     Eigenvalues ---    0.34292   0.34304   0.34394   0.34646   0.35386
     Eigenvalues ---    0.35654   0.35763   0.36154   0.36238   0.36341
     Eigenvalues ---    0.36499   0.36540   0.38255   0.39092   0.39487
     Eigenvalues ---    0.40711   0.42305   0.42756   0.42781   0.43424
     Eigenvalues ---    0.45290   0.45403   0.45498   0.45551   0.45583
     Eigenvalues ---    0.45616   0.45655   0.46251   0.49038   0.49262
     Eigenvalues ---    0.49684   0.49796   0.50384   0.52553   0.54531
     Eigenvalues ---    0.54923   0.55082   0.56606   0.67192   0.73168
     Eigenvalues ---    0.766671000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    39   38   37   36   35
 RFO step:  Lambda=-4.78579792D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.50590   -0.41537   -0.26251    0.15090    0.02109
 Iteration  1 RMS(Cart)=  0.00291234 RMS(Int)=  0.00000342
 Iteration  2 RMS(Cart)=  0.00000566 RMS(Int)=  0.00000124
 Iteration  3 RMS(Cart)=  0.00000002 RMS(Int)=  0.00000124
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00003   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00004   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00002   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00005   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00000   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00001   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00002   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00002   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00003   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00002   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468  -0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93053  -0.00005   0.00007  -0.00006   0.00001   2.93054
    R2        2.07159   0.00001   0.00004   0.00001   0.00005   2.07164
    R3        2.07057  -0.00006   0.00003  -0.00004  -0.00001   2.07056
    R4        2.07681  -0.00006   0.00004  -0.00004   0.00000   2.07682
    R5        2.84174  -0.00001   0.00003  -0.00005  -0.00001   2.84172
    R6        2.06989  -0.00005   0.00006  -0.00002   0.00004   2.06993
    R7        2.07987  -0.00006   0.00009  -0.00004   0.00005   2.07992
    R8        2.62097   0.00000   0.00004  -0.00003   0.00001   2.62098
    R9        2.65391   0.00001  -0.00003   0.00004   0.00001   2.65392
   R10        2.65811   0.00006  -0.00001   0.00002   0.00001   2.65813
   R11        2.04223   0.00001  -0.00003   0.00000  -0.00003   2.04219
   R12        2.59543  -0.00007   0.00000  -0.00006  -0.00005   2.59538
   R13        1.91172   0.00000   0.00000   0.00000   0.00001   1.91173
   R14        2.53416   0.00002  -0.00001   0.00000  -0.00001   2.53414
   R15        2.03606   0.00001  -0.00001   0.00001   0.00001   2.03606
   R16        4.14802   0.00001  -0.00007   0.00012   0.00005   4.14807
   R17        2.91884  -0.00002  -0.00004   0.00000  -0.00004   2.91880
   R18        2.07369   0.00002   0.00003   0.00002   0.00005   2.07374
   R19        2.07754  -0.00001   0.00002   0.00001   0.00003   2.07757
   R20        2.07575  -0.00001  -0.00002  -0.00003  -0.00005   2.07570
   R21        2.92638  -0.00001   0.00000   0.00007   0.00007   2.92645
   R22        2.07736   0.00000  -0.00001   0.00000  -0.00001   2.07735
   R23        2.07286   0.00001   0.00001   0.00003   0.00004   2.07289
   R24        2.88493  -0.00004  -0.00016  -0.00006  -0.00022   2.88471
   R25        2.07128  -0.00002  -0.00002  -0.00002  -0.00005   2.07123
   R26        2.07739   0.00000  -0.00001  -0.00001  -0.00002   2.07737
   R27        2.40870   0.00000   0.00007   0.00006   0.00012   2.40882
   R28        2.52741  -0.00014   0.00004  -0.00004   0.00000   2.52741
   R29        4.13824  -0.00011  -0.00342  -0.00446  -0.00788   4.13036
   R30        2.55779   0.00015   0.00006  -0.00019  -0.00013   2.55766
   R31        2.91621   0.00000  -0.00001  -0.00003  -0.00003   2.91618
   R32        2.07171   0.00000  -0.00002  -0.00001  -0.00002   2.07169
   R33        2.07040   0.00000   0.00000   0.00000   0.00000   2.07040
   R34        2.07366  -0.00001   0.00003  -0.00002   0.00001   2.07368
   R35        2.84642   0.00001   0.00003  -0.00006  -0.00003   2.84638
   R36        2.07938   0.00000  -0.00003   0.00001  -0.00001   2.07937
   R37        2.08028  -0.00001   0.00000  -0.00002  -0.00002   2.08027
   R38        2.62030  -0.00003  -0.00004  -0.00006  -0.00010   2.62021
   R39        2.65628   0.00005   0.00007   0.00006   0.00013   2.65641
   R40        2.65615   0.00003   0.00004  -0.00002   0.00003   2.65617
   R41        2.03513   0.00001  -0.00001   0.00001   0.00001   2.03514
   R42        2.59532  -0.00001  -0.00004  -0.00004  -0.00008   2.59524
   R43        1.91280   0.00000   0.00000   0.00000   0.00000   1.91280
   R44        2.53224  -0.00001   0.00003   0.00001   0.00004   2.53228
   R45        2.03599   0.00000   0.00002   0.00002   0.00003   2.03602
   R46        4.06741   0.00002  -0.00020  -0.00033  -0.00053   4.06688
   R47        2.91811   0.00001  -0.00002   0.00008   0.00006   2.91817
   R48        2.07258   0.00000   0.00001   0.00000   0.00001   2.07259
   R49        2.07239  -0.00001  -0.00003  -0.00002  -0.00005   2.07234
   R50        2.07056  -0.00001   0.00001  -0.00001   0.00001   2.07057
   R51        2.84445  -0.00001   0.00000   0.00004   0.00003   2.84448
   R52        2.07855   0.00000   0.00001  -0.00001   0.00000   2.07855
   R53        2.07872   0.00000   0.00000   0.00000  -0.00001   2.07871
   R54        2.62225   0.00001   0.00000   0.00000  -0.00001   2.62225
   R55        2.65353  -0.00003   0.00000  -0.00001  -0.00001   2.65352
   R56        2.64863  -0.00003   0.00008  -0.00005   0.00002   2.64865
   R57        2.03588   0.00000   0.00002  -0.00001   0.00001   2.03588
   R58        2.60150  -0.00001  -0.00003   0.00000  -0.00003   2.60147
   R59        1.91292   0.00000   0.00000   0.00000   0.00000   1.91292
   R60        2.52686   0.00002  -0.00002   0.00003   0.00000   2.52686
   R61        2.03641   0.00000  -0.00001   0.00001   0.00000   2.03642
   R62        4.04775  -0.00010  -0.00007  -0.00100  -0.00107   4.04668
   R63        3.83608  -0.00005   0.00030  -0.00041  -0.00011   3.83597
   R64        4.50796  -0.00002   0.00223   0.00175   0.00398   4.51194
   R65        4.32828   0.00007  -0.00037   0.00144   0.00107   4.32935
   R66        1.85847   0.00003   0.00018   0.00012   0.00031   1.85878
   R67        2.09217  -0.00006  -0.00011  -0.00008  -0.00019   2.09198
   R68        2.39606   0.00000  -0.00006  -0.00003  -0.00010   2.39596
   R69        2.58392  -0.00006   0.00018  -0.00005   0.00013   2.58405
   R70        2.86866   0.00001  -0.00010   0.00003  -0.00007   2.86860
   R71        2.76855  -0.00001   0.00002  -0.00002  -0.00001   2.76855
   R72        1.91411  -0.00001  -0.00001   0.00000  -0.00001   1.91410
   R73        2.90202  -0.00002  -0.00007  -0.00005  -0.00012   2.90190
   R74        2.07417   0.00001  -0.00001   0.00001   0.00000   2.07416
   R75        2.06958  -0.00001   0.00000   0.00000   0.00000   2.06957
   R76        2.41259  -0.00002   0.00005  -0.00005   0.00000   2.41259
   R77        2.55017   0.00000   0.00004   0.00003   0.00007   2.55024
   R78        1.91784   0.00000   0.00000   0.00001   0.00001   1.91786
   R79        2.78915  -0.00002   0.00008  -0.00001   0.00007   2.78922
   R80        2.06892  -0.00001  -0.00003   0.00001  -0.00001   2.06891
   R81        2.06333   0.00000   0.00002  -0.00001   0.00001   2.06334
   R82        2.07191  -0.00001  -0.00003   0.00000  -0.00003   2.07187
   R83        2.07209  -0.00001  -0.00001  -0.00001  -0.00002   2.07208
   R84        2.06851   0.00001   0.00003   0.00001   0.00004   2.06855
   R85        2.06899  -0.00001   0.00001  -0.00001   0.00000   2.06899
    A1        1.92378   0.00001  -0.00004   0.00005   0.00001   1.92379
    A2        1.93550  -0.00001   0.00001  -0.00003  -0.00002   1.93548
    A3        1.95306  -0.00001  -0.00001  -0.00001  -0.00003   1.95303
    A4        1.88816   0.00000   0.00002   0.00001   0.00003   1.88818
    A5        1.87344   0.00000   0.00007   0.00001   0.00008   1.87353
    A6        1.88754   0.00000  -0.00005  -0.00002  -0.00007   1.88747
    A7        1.98697  -0.00002   0.00006  -0.00013  -0.00007   1.98690
    A8        1.90935   0.00001   0.00003   0.00001   0.00004   1.90939
    A9        1.90661  -0.00001  -0.00001   0.00005   0.00004   1.90665
   A10        1.88008   0.00000   0.00008  -0.00001   0.00007   1.88015
   A11        1.91961   0.00002  -0.00013   0.00010  -0.00003   1.91958
   A12        1.85658   0.00000  -0.00004  -0.00001  -0.00005   1.85653
   A13        2.30425   0.00001   0.00018  -0.00003   0.00015   2.30440
   A14        2.14702  -0.00001  -0.00014   0.00000  -0.00013   2.14689
   A15        1.83191   0.00000  -0.00004   0.00003  -0.00002   1.83190
   A16        1.91603  -0.00001   0.00004  -0.00001   0.00003   1.91606
   A17        2.24354  -0.00001  -0.00011  -0.00006  -0.00017   2.24337
   A18        2.12352   0.00002   0.00007   0.00006   0.00013   2.12365
   A19        1.89592   0.00001   0.00002  -0.00005  -0.00002   1.89590
   A20        2.19106   0.00000  -0.00010   0.00003  -0.00007   2.19100
   A21        2.19613  -0.00001   0.00008   0.00001   0.00009   2.19622
   A22        1.92263   0.00003   0.00001   0.00006   0.00007   1.92270
   A23        2.16209  -0.00002   0.00000  -0.00002  -0.00002   2.16207
   A24        2.19845  -0.00001  -0.00001  -0.00004  -0.00005   2.19840
   A25        1.85828  -0.00003  -0.00003  -0.00003  -0.00006   1.85822
   A26        2.21922  -0.00005  -0.00055  -0.00005  -0.00060   2.21862
   A27        2.20514   0.00009   0.00055   0.00008   0.00063   2.20577
   A28        1.93554  -0.00001   0.00004  -0.00009  -0.00004   1.93550
   A29        1.93450   0.00000   0.00000   0.00001   0.00000   1.93450
   A30        1.93415   0.00001   0.00003   0.00002   0.00005   1.93420
   A31        1.88960  -0.00001  -0.00011  -0.00005  -0.00016   1.88943
   A32        1.88562   0.00000  -0.00002   0.00005   0.00003   1.88565
   A33        1.88257   0.00000   0.00006   0.00007   0.00013   1.88270
   A34        1.97070  -0.00002  -0.00011   0.00013   0.00002   1.97073
   A35        1.91255   0.00002   0.00002  -0.00002   0.00001   1.91256
   A36        1.91133   0.00000   0.00008  -0.00001   0.00007   1.91140
   A37        1.90101  -0.00001  -0.00005  -0.00007  -0.00012   1.90089
   A38        1.89030   0.00002   0.00008   0.00004   0.00012   1.89041
   A39        1.87545  -0.00001  -0.00002  -0.00008  -0.00011   1.87535
   A40        1.94183   0.00003  -0.00004   0.00020   0.00015   1.94198
   A41        1.94130  -0.00001  -0.00010  -0.00006  -0.00016   1.94114
   A42        1.90434  -0.00002  -0.00003  -0.00015  -0.00018   1.90416
   A43        1.90352  -0.00002  -0.00006  -0.00004  -0.00010   1.90343
   A44        1.88760   0.00000   0.00008  -0.00004   0.00004   1.88765
   A45        1.88355   0.00002   0.00017   0.00009   0.00025   1.88381
   A46        2.10621   0.00002   0.00018   0.00002   0.00020   2.10640
   A47        2.03974  -0.00002  -0.00008   0.00002  -0.00006   2.03968
   A48        2.13663   0.00000  -0.00010  -0.00005  -0.00015   2.13648
   A49        1.81184   0.00003   0.00025   0.00011   0.00036   1.81220
   A50        1.84429   0.00002  -0.00019   0.00000  -0.00019   1.84411
   A51        1.93833  -0.00001   0.00003  -0.00008  -0.00005   1.93828
   A52        1.92232   0.00001   0.00005   0.00003   0.00008   1.92240
   A53        1.94204   0.00001  -0.00008   0.00007  -0.00002   1.94202
   A54        1.88623  -0.00001  -0.00005  -0.00003  -0.00008   1.88615
   A55        1.89159   0.00001   0.00002   0.00004   0.00007   1.89165
   A56        1.88143  -0.00001   0.00004  -0.00004   0.00000   1.88144
   A57        1.97658  -0.00001   0.00002  -0.00022  -0.00019   1.97639
   A58        1.90159  -0.00001   0.00002   0.00000   0.00002   1.90161
   A59        1.90690   0.00002  -0.00004   0.00015   0.00011   1.90701
   A60        1.90429   0.00001   0.00004   0.00007   0.00011   1.90440
   A61        1.91303  -0.00001  -0.00010  -0.00003  -0.00013   1.91291
   A62        1.85765   0.00000   0.00006   0.00003   0.00009   1.85774
   A63        2.32072  -0.00001   0.00009  -0.00012  -0.00003   2.32069
   A64        2.13631   0.00002  -0.00008   0.00009   0.00001   2.13632
   A65        1.82602  -0.00001  -0.00001   0.00004   0.00003   1.82605
   A66        1.91816   0.00000   0.00002  -0.00005  -0.00003   1.91813
   A67        2.24607   0.00001   0.00000   0.00005   0.00004   2.24611
   A68        2.11829  -0.00002  -0.00002  -0.00001  -0.00003   2.11827
   A69        1.90202   0.00000  -0.00001  -0.00002  -0.00003   1.90199
   A70        2.18847   0.00000  -0.00002   0.00002  -0.00001   2.18846
   A71        2.19226   0.00000   0.00004   0.00000   0.00004   2.19230
   A72        1.91671   0.00000   0.00002  -0.00003   0.00000   1.91671
   A73        2.18685   0.00000   0.00002   0.00002   0.00004   2.18689
   A74        2.17887   0.00000  -0.00004  -0.00001  -0.00004   2.17883
   A75        1.86184   0.00001  -0.00003   0.00006   0.00003   1.86187
   A76        2.19856   0.00001   0.00031   0.00034   0.00066   2.19921
   A77        2.19756  -0.00002  -0.00038  -0.00027  -0.00065   2.19691
   A78        1.94206   0.00000   0.00003  -0.00004   0.00000   1.94206
   A79        1.94045   0.00000  -0.00006  -0.00003  -0.00009   1.94037
   A80        1.92548  -0.00001  -0.00004  -0.00001  -0.00005   1.92543
   A81        1.89011   0.00000   0.00003   0.00003   0.00006   1.89018
   A82        1.87705   0.00001   0.00000   0.00001   0.00000   1.87705
   A83        1.88652   0.00001   0.00005   0.00003   0.00008   1.88660
   A84        1.95892  -0.00001   0.00002   0.00000   0.00002   1.95894
   A85        1.90793   0.00000  -0.00002  -0.00003  -0.00005   1.90788
   A86        1.90632   0.00000   0.00001  -0.00005  -0.00003   1.90628
   A87        1.91228   0.00000  -0.00007   0.00004  -0.00003   1.91225
   A88        1.91949   0.00000   0.00005   0.00003   0.00008   1.91957
   A89        1.85602   0.00000   0.00002   0.00000   0.00001   1.85604
   A90        2.30240  -0.00003   0.00003  -0.00014  -0.00011   2.30229
   A91        2.15436   0.00002  -0.00005   0.00016   0.00011   2.15448
   A92        1.82640   0.00001   0.00001  -0.00001   0.00000   1.82640
   A93        1.91786   0.00000  -0.00001   0.00001   0.00000   1.91786
   A94        2.24956   0.00000  -0.00005  -0.00001  -0.00006   2.24950
   A95        2.11576   0.00000   0.00007   0.00000   0.00006   2.11582
   A96        1.89967   0.00000  -0.00001   0.00002   0.00001   1.89969
   A97        2.19033   0.00001   0.00003   0.00003   0.00006   2.19039
   A98        2.19305  -0.00001  -0.00003  -0.00005  -0.00007   2.19298
   A99        1.91558   0.00000   0.00004  -0.00004   0.00000   1.91558
   A100       2.18896   0.00001   0.00005   0.00009   0.00014   2.18910
   A101       2.17839  -0.00001  -0.00009  -0.00005  -0.00014   2.17825
   A102       1.86522   0.00000  -0.00003   0.00002  -0.00001   1.86522
   A103       2.21192   0.00004  -0.00016   0.00005  -0.00011   2.21180
   A104       2.19099  -0.00003   0.00022   0.00003   0.00026   2.19125
   A105       1.71263   0.00001  -0.00004   0.00038   0.00034   1.71297
   A106       1.56077  -0.00002   0.00034   0.00010   0.00043   1.56120
   A107       1.68742   0.00003  -0.00007  -0.00006  -0.00012   1.68730
   A108       3.00394  -0.00001   0.00003  -0.00016  -0.00013   3.00381
   A109       1.66380   0.00002   0.00013   0.00013   0.00025   1.66405
   A110       1.72035   0.00000   0.00077   0.00002   0.00079   1.72115
   A111       1.61247   0.00002  -0.00046   0.00036  -0.00010   1.61237
   A112       1.48475   0.00000   0.00039   0.00007   0.00045   1.48520
   A113       2.89773  -0.00003  -0.00027  -0.00051  -0.00078   2.89694
   A114       2.90763  -0.00003  -0.00044  -0.00041  -0.00084   2.90679
   A115       1.44781   0.00001  -0.00024  -0.00014  -0.00038   1.44743
   A116       1.48837   0.00001  -0.00018   0.00004  -0.00014   1.48823
   A117       1.57714  -0.00002  -0.00011  -0.00002  -0.00012   1.57702
   A118       1.43624  -0.00004  -0.00021  -0.00049  -0.00070   1.43554
   A119       1.43235  -0.00002  -0.00040  -0.00056  -0.00097   1.43138
   A120       2.10385   0.00002  -0.00011  -0.00042  -0.00053   2.10331
   A121       2.17790   0.00000   0.00010   0.00053   0.00062   2.17852
   A122       1.77132  -0.00002  -0.00056  -0.00049  -0.00105   1.77027
   A123       2.06544   0.00002   0.00113   0.00154   0.00267   2.06811
   A124       2.91539  -0.00004  -0.00027  -0.00094  -0.00121   2.91418
   A125       2.13079   0.00004  -0.00010   0.00006  -0.00004   2.13075
   A126       2.11488  -0.00002   0.00015   0.00000   0.00015   2.11503
   A127       2.03737  -0.00002  -0.00005  -0.00006  -0.00010   2.03726
   A128       2.29615  -0.00003   0.00034  -0.00007   0.00026   2.29641
   A129       2.14546   0.00000  -0.00012  -0.00006  -0.00018   2.14528
   A130       2.07025   0.00000   0.00009   0.00002   0.00011   2.07037
   A131       2.06713   0.00000   0.00000   0.00004   0.00004   2.06717
   A132       1.98106  -0.00003   0.00011  -0.00010   0.00001   1.98107
   A133       1.90334  -0.00001   0.00000  -0.00001  -0.00001   1.90333
   A134       1.90227   0.00001  -0.00001   0.00003   0.00002   1.90229
   A135       1.81986   0.00001  -0.00006  -0.00010  -0.00016   1.81971
   A136       1.94879   0.00002  -0.00005   0.00017   0.00012   1.94891
   A137       1.90569   0.00000   0.00000   0.00000   0.00000   1.90569
   A138       2.09893   0.00000   0.00003   0.00001   0.00003   2.09897
   A139       2.03150   0.00003   0.00006   0.00002   0.00008   2.03158
   A140       2.15065  -0.00003  -0.00010  -0.00004  -0.00014   2.15051
   A141       2.07494   0.00001  -0.00017  -0.00012  -0.00029   2.07465
   A142       2.06355   0.00002   0.00007  -0.00010  -0.00003   2.06352
   A143       2.16081  -0.00006  -0.00013  -0.00004  -0.00017   2.16064
   A144       2.03953   0.00003   0.00002   0.00000   0.00002   2.03955
   A145       1.91394   0.00000   0.00000   0.00015   0.00015   1.91410
   A146       1.89540  -0.00001  -0.00011  -0.00008  -0.00019   1.89521
   A147       1.90493   0.00001   0.00006  -0.00009  -0.00002   1.90490
   A148       1.91099   0.00001  -0.00004   0.00000  -0.00004   1.91096
   A149       1.92973   0.00000   0.00024   0.00002   0.00026   1.92999
   A150       1.90848  -0.00001  -0.00016  -0.00001  -0.00017   1.90831
   A151       1.90432   0.00001   0.00015   0.00007   0.00022   1.90454
   A152       1.90420   0.00000   0.00002  -0.00003  -0.00001   1.90419
   A153       1.97690   0.00000  -0.00005   0.00000  -0.00005   1.97686
   A154       1.87658  -0.00001  -0.00009  -0.00004  -0.00012   1.87645
   A155       1.89323   0.00000  -0.00002   0.00003   0.00002   1.89325
   A156       1.90602   0.00000  -0.00003  -0.00004  -0.00007   1.90596
    D1        3.11034   0.00000   0.00025  -0.00005   0.00020   3.11055
    D2        1.00618   0.00000   0.00008   0.00005   0.00013   1.00631
    D3       -1.01961   0.00000   0.00012   0.00003   0.00014  -1.01947
    D4        1.01984   0.00000   0.00025  -0.00007   0.00017   1.02001
    D5       -1.08433   0.00000   0.00008   0.00003   0.00010  -1.08422
    D6       -3.11011   0.00000   0.00011   0.00000   0.00011  -3.11000
    D7       -1.08943   0.00000   0.00031  -0.00001   0.00030  -1.08914
    D8        3.08959   0.00000   0.00014   0.00009   0.00023   3.08981
    D9        1.06380   0.00001   0.00017   0.00006   0.00024   1.06404
   D10       -2.12541   0.00000   0.00038   0.00164   0.00202  -2.12339
   D11        1.01877   0.00000   0.00077   0.00127   0.00204   1.02081
   D12       -0.00490   0.00001   0.00052   0.00155   0.00207  -0.00283
   D13        3.13928   0.00000   0.00091   0.00118   0.00210   3.14137
   D14        2.01163   0.00001   0.00045   0.00159   0.00204   2.01367
   D15       -1.12737   0.00001   0.00084   0.00122   0.00206  -1.12531
   D16       -3.13740  -0.00001  -0.00012  -0.00031  -0.00042  -3.13782
   D17        0.01907  -0.00001   0.00037  -0.00021   0.00016   0.01922
   D18        0.00195  -0.00001  -0.00045   0.00001  -0.00044   0.00151
   D19       -3.12477  -0.00001   0.00003   0.00011   0.00014  -3.12463
   D20        3.13804   0.00001  -0.00009   0.00032   0.00022   3.13826
   D21       -0.01599   0.00000   0.00041   0.00019   0.00060  -0.01539
   D22       -0.00157   0.00001   0.00021   0.00003   0.00024  -0.00133
   D23        3.12759   0.00000   0.00071  -0.00009   0.00061   3.12820
   D24       -0.00162   0.00001   0.00054  -0.00006   0.00048  -0.00114
   D25        3.10613   0.00000  -0.00052   0.00000  -0.00052   3.10561
   D26        3.12630   0.00000   0.00009  -0.00015  -0.00005   3.12625
   D27       -0.04914   0.00000  -0.00096  -0.00008  -0.00105  -0.05018
   D28        0.00062  -0.00001   0.00013  -0.00007   0.00005   0.00068
   D29       -3.13663   0.00000   0.00016   0.00026   0.00042  -3.13620
   D30       -3.12849   0.00000  -0.00037   0.00005  -0.00032  -3.12881
   D31        0.01744   0.00002  -0.00034   0.00038   0.00005   0.01749
   D32        0.00059   0.00000  -0.00040   0.00008  -0.00032   0.00027
   D33       -3.10751   0.00001   0.00067   0.00002   0.00070  -3.10681
   D34        3.13773  -0.00001  -0.00044  -0.00026  -0.00070   3.13703
   D35        0.02963  -0.00001   0.00063  -0.00032   0.00032   0.02995
   D36        1.95569   0.00001  -0.00030  -0.00151  -0.00182   1.95387
   D37       -2.60706   0.00001   0.00053  -0.00148  -0.00095  -2.60800
   D38        0.32575  -0.00002   0.00018  -0.00191  -0.00174   0.32402
   D39       -2.34727   0.00001   0.00259   0.00154   0.00413  -2.34314
   D40       -1.11999   0.00001   0.00038  -0.00143  -0.00105  -1.12104
   D41       -1.22621   0.00000  -0.00158  -0.00144  -0.00302  -1.22923
   D42        0.49424   0.00000  -0.00075  -0.00141  -0.00216   0.49208
   D43       -2.85614  -0.00002  -0.00110  -0.00184  -0.00294  -2.85908
   D44        0.75402   0.00000   0.00132   0.00161   0.00292   0.75694
   D45        1.98130   0.00001  -0.00090  -0.00136  -0.00226   1.97905
   D46        1.06197   0.00000   0.00035   0.00035   0.00069   1.06266
   D47       -3.09890  -0.00001   0.00023   0.00033   0.00056  -3.09834
   D48       -1.04581  -0.00001   0.00027   0.00021   0.00048  -1.04533
   D49       -1.03743   0.00001   0.00046   0.00047   0.00093  -1.03650
   D50        1.08489   0.00001   0.00034   0.00045   0.00080   1.08569
   D51        3.13798   0.00001   0.00038   0.00033   0.00071   3.13870
   D52       -3.12706   0.00000   0.00037   0.00036   0.00073  -3.12633
   D53       -1.00475   0.00000   0.00025   0.00035   0.00060  -1.00415
   D54        1.04835   0.00000   0.00029   0.00023   0.00052   1.04886
   D55       -1.08459   0.00001  -0.00009  -0.00033  -0.00042  -1.08501
   D56        1.04140   0.00000  -0.00027  -0.00028  -0.00055   1.04085
   D57        3.11733   0.00000  -0.00015  -0.00030  -0.00045   3.11689
   D58        3.06978   0.00000  -0.00002  -0.00034  -0.00036   3.06942
   D59       -1.08742  -0.00001  -0.00019  -0.00029  -0.00049  -1.08790
   D60        0.98851  -0.00001  -0.00007  -0.00032  -0.00039   0.98813
   D61        1.03512   0.00001   0.00000  -0.00023  -0.00023   1.03490
   D62       -3.12207   0.00000  -0.00018  -0.00018  -0.00036  -3.12243
   D63       -1.04614   0.00000  -0.00006  -0.00020  -0.00026  -1.04640
   D64       -0.86879  -0.00001  -0.00169  -0.00039  -0.00208  -0.87086
   D65        2.23623  -0.00001  -0.00167  -0.00080  -0.00247   2.23376
   D66       -3.01659   0.00000  -0.00149  -0.00042  -0.00191  -3.01850
   D67        0.08843   0.00000  -0.00148  -0.00083  -0.00230   0.08612
   D68        1.22244  -0.00002  -0.00170  -0.00048  -0.00218   1.22026
   D69       -1.95573  -0.00002  -0.00168  -0.00089  -0.00257  -1.95831
   D70        2.98458  -0.00002   0.00040  -0.00057  -0.00017   2.98441
   D71       -0.11836  -0.00002   0.00038  -0.00014   0.00024  -0.11811
   D72       -2.99398   0.00001  -0.00056   0.00036  -0.00020  -2.99418
   D73        0.11034   0.00001  -0.00053  -0.00006  -0.00059   0.10976
   D74        0.00156   0.00002   0.00053   0.00074   0.00127   0.00283
   D75        0.25665  -0.00001  -0.00173  -0.00208  -0.00382   0.25283
   D76       -1.04651   0.00000  -0.00017  -0.00011  -0.00028  -1.04678
   D77        1.07611  -0.00001  -0.00008  -0.00016  -0.00024   1.07586
   D78        3.09901   0.00000  -0.00002  -0.00004  -0.00006   3.09895
   D79       -3.13548   0.00001  -0.00015  -0.00004  -0.00019  -3.13567
   D80       -1.01286   0.00000  -0.00006  -0.00010  -0.00016  -1.01302
   D81        1.01004   0.00001  -0.00001   0.00003   0.00002   1.01006
   D82        1.06235   0.00000  -0.00017  -0.00006  -0.00024   1.06212
   D83       -3.09822   0.00000  -0.00009  -0.00012  -0.00020  -3.09842
   D84       -1.07532   0.00000  -0.00003   0.00001  -0.00002  -1.07534
   D85       -0.10231   0.00000   0.00022   0.00017   0.00039  -0.10192
   D86        3.01846   0.00000   0.00068   0.00064   0.00132   3.01978
   D87       -2.22342   0.00001   0.00015   0.00027   0.00041  -2.22300
   D88        0.89736   0.00001   0.00061   0.00073   0.00134   0.89870
   D89        2.03195   0.00001   0.00011   0.00020   0.00031   2.03226
   D90       -1.13047   0.00001   0.00057   0.00066   0.00123  -1.12923
   D91        3.11890   0.00000   0.00048   0.00015   0.00062   3.11952
   D92        0.01669   0.00000   0.00047   0.00039   0.00086   0.01755
   D93       -0.00453   0.00000   0.00007  -0.00026  -0.00018  -0.00471
   D94       -3.10674   0.00000   0.00006  -0.00001   0.00005  -3.10668
   D95       -3.11901  -0.00001  -0.00038  -0.00054  -0.00092  -3.11994
   D96       -0.00792  -0.00001  -0.00004  -0.00059  -0.00064  -0.00856
   D97        0.00683  -0.00001  -0.00003  -0.00019  -0.00022   0.00661
   D98        3.11793  -0.00001   0.00031  -0.00024   0.00006   3.11799
   D99        0.00056   0.00001  -0.00009   0.00062   0.00053   0.00109
   D100      -2.91202   0.00002   0.00042   0.00009   0.00052  -2.91150
   D101       3.10615   0.00001  -0.00008   0.00040   0.00032   3.10647
   D102       0.19357   0.00002   0.00043  -0.00013   0.00031   0.19388
   D103      -0.00685   0.00002  -0.00002   0.00059   0.00057  -0.00627
   D104       3.09459   0.00001   0.00021   0.00025   0.00046   3.09505
   D105      -3.11786   0.00002  -0.00036   0.00065   0.00029  -3.11757
   D106      -0.01642   0.00001  -0.00013   0.00030   0.00017  -0.01624
   D107       0.00385  -0.00002   0.00007  -0.00073  -0.00067   0.00318
   D108       2.91660  -0.00002  -0.00033  -0.00011  -0.00044   2.91617
   D109      -3.09781  -0.00001  -0.00017  -0.00039  -0.00056  -3.09837
   D110      -0.18506  -0.00001  -0.00056   0.00024  -0.00032  -0.18539
   D111      -0.47419  -0.00002   0.00151  -0.00048   0.00103  -0.47316
   D112      -2.05626   0.00000   0.00105  -0.00064   0.00042  -2.05584
   D113       1.22052   0.00001   0.00137  -0.00046   0.00091   1.22143
   D114       2.79409  -0.00001   0.00132  -0.00051   0.00081   2.79490
   D115       2.39232  -0.00002  -0.00111  -0.00025  -0.00135   2.39097
   D116       2.93924  -0.00001   0.00205  -0.00117   0.00088   2.94012
   D117       1.35717   0.00000   0.00159  -0.00133   0.00027   1.35743
   D118      -1.64924   0.00002   0.00191  -0.00115   0.00076  -1.64848
   D119      -0.07567  -0.00001   0.00185  -0.00119   0.00066  -0.07501
   D120      -0.47743  -0.00001  -0.00057  -0.00093  -0.00150  -0.47894
   D121      -1.05670   0.00000  -0.00004  -0.00015  -0.00018  -1.05688
   D122       3.10099   0.00000   0.00006  -0.00018  -0.00012   3.10087
   D123       1.07683   0.00000   0.00004  -0.00014  -0.00009   1.07673
   D124       1.05175   0.00000  -0.00002  -0.00014  -0.00017   1.05159
   D125      -1.07374   0.00000   0.00007  -0.00018  -0.00010  -1.07385
   D126      -3.09791   0.00000   0.00006  -0.00013  -0.00008  -3.09798
   D127      -3.13865   0.00000  -0.00003  -0.00012  -0.00015  -3.13881
   D128       1.01903   0.00000   0.00007  -0.00016  -0.00009   1.01894
   D129      -1.00513   0.00000   0.00006  -0.00011  -0.00006  -1.00519
   D130       0.37145  -0.00001  -0.00009  -0.00070  -0.00079   0.37066
   D131      -2.76275   0.00000   0.00052  -0.00065  -0.00013  -2.76288
   D132       2.49446  -0.00001  -0.00016  -0.00071  -0.00086   2.49360
   D133      -0.63974   0.00000   0.00046  -0.00066  -0.00021  -0.63994
   D134      -1.75458   0.00000  -0.00015  -0.00066  -0.00082  -1.75539
   D135       1.39441   0.00001   0.00046  -0.00062  -0.00016   1.39425
   D136      -3.12749  -0.00001   0.00017   0.00011   0.00028  -3.12720
   D137       0.01175   0.00000   0.00103   0.00000   0.00102   0.01277
   D138       0.00773  -0.00002  -0.00036   0.00008  -0.00028   0.00745
   D139      -3.13622   0.00000   0.00050  -0.00004   0.00046  -3.13576
   D140       3.12823   0.00000  -0.00024   0.00002  -0.00022   3.12802
   D141       0.00323   0.00000  -0.00022  -0.00018  -0.00040   0.00283
   D142      -0.00767   0.00001   0.00024   0.00005   0.00029  -0.00738
   D143      -3.13268   0.00000   0.00026  -0.00015   0.00011  -3.13257
   D144      -0.00499   0.00002   0.00035  -0.00018   0.00017  -0.00481
   D145       2.95813   0.00001   0.00055   0.00045   0.00100   2.95913
   D146       3.13875   0.00001  -0.00042  -0.00008  -0.00050   3.13825
   D147      -0.18132   0.00000  -0.00022   0.00055   0.00033  -0.18099
   D148       0.00493   0.00000  -0.00002  -0.00017  -0.00020   0.00473
   D149      -3.11317   0.00000  -0.00006   0.00002  -0.00004  -3.11321
   D150       3.12990   0.00001  -0.00004   0.00003  -0.00001   3.12989
   D151       0.01180   0.00001  -0.00008   0.00023   0.00015   0.01195
   D152      -0.00002  -0.00001  -0.00020   0.00021   0.00002  -0.00001
   D153      -2.96587  -0.00001  -0.00034  -0.00041  -0.00075  -2.96662
   D154       3.11825  -0.00001  -0.00016   0.00002  -0.00013   3.11812
   D155       0.15240  -0.00002  -0.00030  -0.00060  -0.00090   0.15150
   D156      -1.44360   0.00000   0.00150   0.00012   0.00162  -1.44198
   D157       0.26912   0.00001   0.00152   0.00052   0.00205   0.27117
   D158       2.79094   0.00001   0.00118   0.00082   0.00200   2.79294
   D159       1.73352   0.00000   0.00177   0.00057   0.00234   1.73585
   D160      -3.10856  -0.00002   0.00140   0.00000   0.00140  -3.10715
   D161       1.48767   0.00000   0.00170   0.00086   0.00256   1.49023
   D162      -3.08279   0.00001   0.00172   0.00126   0.00298  -3.07981
   D163      -0.56097   0.00001   0.00138   0.00156   0.00294  -0.55804
   D164      -1.61840   0.00000   0.00197   0.00130   0.00327  -1.61512
   D165      -0.17728  -0.00002   0.00160   0.00074   0.00234  -0.17494
   D166       1.75267   0.00000  -0.00010  -0.00040  -0.00049   1.75218
   D167      -0.58158   0.00002   0.00100   0.00041   0.00141  -0.58017
   D168       0.03401  -0.00001   0.00000  -0.00082  -0.00082   0.03319
   D169      -2.30025   0.00001   0.00110  -0.00002   0.00108  -2.29916
   D170      -2.49515  -0.00001   0.00024  -0.00110  -0.00086  -2.49600
   D171       1.45379   0.00001   0.00134  -0.00030   0.00104   1.45483
   D172      -1.45093   0.00000  -0.00038  -0.00089  -0.00127  -1.45220
   D173       2.49800   0.00001   0.00071  -0.00008   0.00063   2.49863
   D174      -2.88114   0.00002   0.00002  -0.00031  -0.00029  -2.88143
   D175       1.06780   0.00003   0.00111   0.00050   0.00161   1.06940
   D176       1.03550   0.00000  -0.00121  -0.00325  -0.00446   1.03104
   D177       3.03015   0.00001   0.00164  -0.00018   0.00146   3.03161
   D178       1.29729   0.00001   0.00088  -0.00020   0.00068   1.29797
   D179      -1.64095   0.00003   0.00119   0.00018   0.00137  -1.63958
   D180      -0.20692  -0.00001   0.00098  -0.00033   0.00065  -0.20626
   D181       2.09362   0.00000  -0.00074  -0.00024  -0.00098   2.09264
   D182      -0.77451   0.00001   0.00186  -0.00049   0.00138  -0.77313
   D183      -2.63658  -0.00001  -0.00043  -0.00015  -0.00058  -2.63715
   D184       0.41733  -0.00002  -0.00064  -0.00013  -0.00077   0.41656
   D185      -1.17880   0.00000  -0.00062  -0.00026  -0.00088  -1.17967
   D186      -2.39263   0.00000  -0.00026  -0.00051  -0.00078  -2.39340
   D187       0.09859  -0.00001  -0.00092  -0.00075  -0.00167   0.09693
   D188       2.08205   0.00002   0.00190   0.00203   0.00393   2.08598
   D189      -0.37161   0.00002   0.00272   0.00279   0.00551  -0.36611
   D190       0.89922   0.00002  -0.00117   0.00042  -0.00075   0.89846
   D191      -2.26130   0.00001  -0.00072   0.00004  -0.00069  -2.26199
   D192       0.07893  -0.00001   0.00051  -0.00001   0.00050   0.07943
   D193      -3.09144  -0.00001  -0.00039  -0.00014  -0.00053  -3.09197
   D194      -3.04453   0.00001   0.00008   0.00036   0.00044  -3.04409
   D195       0.06829   0.00000  -0.00082   0.00023  -0.00060   0.06769
   D196      -1.15217   0.00001   0.00030   0.00077   0.00107  -1.15109
   D197       0.89342   0.00001   0.00030   0.00075   0.00105   0.89446
   D198       3.02034   0.00000   0.00024   0.00068   0.00092   3.02127
   D199       1.97147   0.00000   0.00072   0.00041   0.00113   1.97261
   D200      -2.26613   0.00000   0.00072   0.00039   0.00111  -2.26502
   D201      -0.13920  -0.00001   0.00067   0.00032   0.00099  -0.13821
   D202      -1.44725  -0.00001  -0.00026  -0.00012  -0.00038  -1.44764
   D203       0.57314  -0.00001  -0.00027  -0.00031  -0.00058   0.57256
   D204       2.65213  -0.00002  -0.00027  -0.00029  -0.00056   2.65157
   D205       1.72306   0.00000   0.00064   0.00001   0.00065   1.72371
   D206      -2.53973  -0.00001   0.00063  -0.00018   0.00046  -2.53927
   D207      -0.46074  -0.00001   0.00063  -0.00016   0.00047  -0.46027
   D208       0.70281  -0.00001   0.00028  -0.00043  -0.00015   0.70265
   D209      -2.50618  -0.00002   0.00000  -0.00048  -0.00047  -2.50666
   D210      -1.36631   0.00000   0.00026  -0.00031  -0.00005  -1.36636
   D211       1.70788   0.00000  -0.00002  -0.00035  -0.00037   1.70751
   D212       2.86143  -0.00001   0.00032  -0.00034  -0.00002   2.86141
   D213      -0.34756  -0.00002   0.00004  -0.00038  -0.00034  -0.34790
   D214       1.00338   0.00001   0.00053   0.00082   0.00134   1.00473
   D215      -2.06603   0.00001   0.00082   0.00086   0.00168  -2.06436
   D216       0.00251  -0.00001  -0.00016  -0.00051  -0.00067   0.00184
   D217      -2.92233   0.00001   0.00008   0.00023   0.00031  -2.92202
   D218       3.07451  -0.00002  -0.00045  -0.00055  -0.00099   3.07352
   D219       0.14967   0.00001  -0.00021   0.00019  -0.00002   0.14966
   D220      -2.46202   0.00000   0.00137   0.00248   0.00386  -2.45816
   D221      -0.37445   0.00000   0.00126   0.00253   0.00379  -0.37066
   D222       1.70481  -0.00001   0.00104   0.00242   0.00345   1.70827
   D223       0.89359   0.00002   0.00160   0.00322   0.00482   0.89841
   D224       2.98116   0.00003   0.00149   0.00327   0.00475   2.98591
   D225      -1.22276   0.00002   0.00126   0.00316   0.00442  -1.21834
         Item               Value     Threshold  Converged?
 Maximum Force            0.000150     0.000450     YES
 RMS     Force            0.000020     0.000300     YES
 Maximum Displacement     0.012510     0.001800     NO 
 RMS     Displacement     0.002913     0.001200     NO 
 Predicted change in Energy=-1.279559D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.074464    2.546967    3.552889
      2          6           0       -3.333663    1.187972    3.649063
      3          6           0       -2.085592    1.115560    2.813351
      4          6           0       -1.700521    0.260426    1.791523
      5          7           0       -1.008473    2.003306    2.968413
      6          6           0       -0.030586    1.668784    2.063923
      7          7           0       -0.418563    0.613655    1.332837
      8          6           0       -5.230673    0.900521    0.141820
      9          6           0       -5.875570   -0.177683   -0.756655
     10          6           0       -5.242523   -1.578201   -0.566908
     11          6           0       -3.765022   -1.574596   -0.950631
     12          8           0       -3.383359   -1.086296   -2.064518
     13          8           0       -2.905469   -2.063093   -0.049908
     14          6           0       -2.263387    4.233030   -2.990920
     15          6           0       -0.980851    3.846277   -3.757021
     16          6           0       -0.183671    2.765983   -3.074207
     17          6           0       -0.314318    2.124500   -1.851928
     18          7           0        0.939088    2.166858   -3.671270
     19          6           0        1.434905    1.205248   -2.825373
     20          7           0        0.695375    1.157161   -1.708929
     21          6           0        4.685756    4.002851    1.487229
     22          6           0        5.161346    2.624487    1.995730
     23          6           0        4.192584    1.525030    1.651591
     24          6           0        3.202148    1.431520    0.684215
     25          7           0        4.135194    0.301337    2.337890
     26          6           0        3.135614   -0.469843    1.789018
     27          7           0        2.553859    0.192852    0.783840
     28         30           0        0.757209   -0.396681   -0.221218
     29          1           0       -4.988514    2.523977    4.157682
     30          1           0       -4.355400    2.766434    2.516811
     31          1           0       -3.457264    3.377401    3.923365
     32          1           0       -4.002247    0.385068    3.320199
     33          1           0       -3.093417    0.979565    4.702755
     34          1           0       -2.253186   -0.559616    1.355670
     35          1           0       -0.967312    2.768060    3.629382
     36          1           0        0.908323    2.189662    1.974422
     37          1           0       -4.163113    1.012660   -0.086155
     38          1           0       -5.329980    0.635021    1.204052
     39          1           0       -5.714831    1.874906   -0.008764
     40          1           0       -6.951752   -0.240995   -0.541580
     41          1           0       -5.766933    0.109862   -1.809634
     42          1           0       -5.342377   -1.921620    0.469150
     43          1           0       -5.762693   -2.298743   -1.213975
     44          1           0       -2.931336    3.370768   -2.880473
     45          1           0       -2.805468    5.015498   -3.533369
     46          1           0       -2.028596    4.619243   -1.990983
     47          1           0       -1.256320    3.507076   -4.766891
     48          1           0       -0.353094    4.740849   -3.889257
     49          1           0       -1.067882    2.264338   -1.095352
     50          1           0        1.304171    2.389842   -4.588635
     51          1           0        2.268296    0.557000   -3.039992
     52          1           0        4.578095    4.008830    0.395776
     53          1           0        3.720613    4.276947    1.929927
     54          1           0        5.413791    4.777849    1.751611
     55          1           0        5.298482    2.666557    3.086257
     56          1           0        6.149973    2.401995    1.567795
     57          1           0        2.914477    2.154133   -0.061268
     58          1           0        4.722988    0.037026    3.118488
     59          1           0        2.845310   -1.450436    2.128775
     60          8           0       -0.790019   -1.394116   -1.076636
     61          1           0       -1.203750   -1.059260   -1.903808
     62          1           0       -1.672356   -1.780070   -0.530707
     63          6           0        2.987754   -2.522427   -1.574677
     64          8           0        2.289377   -1.472068   -1.703353
     65          7           0        2.442907   -3.713156   -1.180786
     66          6           0        1.005142   -3.899857   -0.970194
     67          6           0        0.523527   -3.437475    0.412695
     68          8           0        0.984705   -2.364835    0.929113
     69          7           0       -0.449857   -4.175214    0.986712
     70          1           0        0.454224   -3.263848   -1.674970
     71          1           0        0.750744   -4.948543   -1.157113
     72          1           0        3.056501   -4.508829   -1.052851
     73          1           0       -0.802055   -4.981843    0.481440
     74          6           0       -1.217583   -3.742750    2.170823
     75          1           0       -1.383607   -4.597376    2.834660
     76          1           0       -0.643152   -2.978271    2.697882
     77          1           0       -2.173679   -3.317364    1.843726
     78          6           0        4.475307   -2.519154   -1.877148
     79          1           0        4.623557   -2.340394   -2.948768
     80          1           0        4.948907   -1.693339   -1.336833
     81          1           0        4.973061   -3.456939   -1.609712
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968940      0.0726952      0.0659452
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4910.7164788594 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122048.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000351   -0.000211   -0.000281 Ang=   0.06 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581190     A.U. after    8 cycles
            NFock=  8  Conv=0.79D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122048.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000016374    0.000044910    0.000008519
      3        6          -0.000010082    0.000034185    0.000024453
      4        6           0.000100982   -0.000011600   -0.000017895
      5        7          -0.000065203    0.000017217   -0.000020799
      6        6           0.000098238   -0.000023386    0.000048612
      7        7          -0.000134931   -0.000045279    0.000014306
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000013826    0.000007905    0.000040803
     10        6           0.000003170    0.000008513   -0.000012808
     11        6          -0.000101125    0.000002502    0.000153879
     12        8          -0.000081531    0.000012041   -0.000027200
     13        8           0.000273016    0.000105415   -0.000117853
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000012375   -0.000009322    0.000027376
     16        6          -0.000020761   -0.000032180   -0.000000600
     17        6           0.000042725    0.000046874   -0.000057432
     18        7          -0.000021502   -0.000030416    0.000038908
     19        6           0.000011404    0.000043851   -0.000025538
     20        7          -0.000055507   -0.000060870    0.000017740
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000003041    0.000009126   -0.000006058
     23        6          -0.000020348    0.000023279    0.000026797
     24        6          -0.000004884    0.000011407   -0.000017099
     25        7           0.000016086   -0.000027068   -0.000016126
     26        6          -0.000011771    0.000025457    0.000012589
     27        7           0.000075269   -0.000052292   -0.000043733
     28       30          -0.000024410   -0.000028021    0.000009800
     29        1          -0.000002515   -0.000006646   -0.000004730
     30        1          -0.000027551    0.000022979    0.000043792
     31        1           0.000017230    0.000051492   -0.000031643
     32        1          -0.000028249   -0.000051816    0.000032003
     33        1           0.000041183   -0.000029532   -0.000059017
     34        1           0.000004188    0.000032837    0.000008782
     35        1          -0.000002890   -0.000017475   -0.000016762
     36        1          -0.000006242   -0.000000566    0.000006518
     37        1          -0.000011348   -0.000000440    0.000002613
     38        1          -0.000001019   -0.000010371   -0.000013636
     39        1          -0.000002354   -0.000000574    0.000004655
     40        1          -0.000001374    0.000009659   -0.000016724
     41        1           0.000007599   -0.000004403   -0.000006332
     42        1          -0.000005274   -0.000004747   -0.000007843
     43        1           0.000016742   -0.000012640   -0.000004563
     44        1           0.000000107    0.000002885   -0.000009694
     45        1           0.000003028    0.000006242    0.000000511
     46        1           0.000007470    0.000004190   -0.000013169
     47        1           0.000012534    0.000007462    0.000002011
     48        1          -0.000002003    0.000008516   -0.000024239
     49        1          -0.000009391   -0.000000117    0.000010937
     50        1           0.000005338    0.000016833   -0.000008120
     51        1           0.000003128   -0.000007648    0.000008206
     52        1          -0.000001115    0.000002889    0.000002418
     53        1           0.000003539   -0.000003979   -0.000000986
     54        1           0.000000677    0.000010843   -0.000002530
     55        1           0.000001032   -0.000002866   -0.000001551
     56        1          -0.000000568    0.000003831   -0.000002569
     57        1           0.000015404    0.000004914    0.000010894
     58        1          -0.000004523    0.000004208   -0.000005267
     59        1           0.000016271    0.000000807    0.000013996
     60        8          -0.000086906    0.000014631   -0.000073504
     61        1           0.000104759    0.000044523    0.000007647
     62        1          -0.000164016   -0.000199984    0.000088468
     63        6           0.000046213    0.000156586    0.000048826
     64        8           0.000054909   -0.000055649   -0.000016214
     65        7           0.000014031   -0.000097933   -0.000029843
     66        6          -0.000010519    0.000035479    0.000013974
     67        6           0.000006955   -0.000033791    0.000039773
     68        8          -0.000047942    0.000103810   -0.000047094
     69        7          -0.000006829    0.000033338    0.000037014
     70        1           0.000000074   -0.000005488   -0.000006758
     71        1          -0.000005874   -0.000007129   -0.000006874
     72        1           0.000001442   -0.000007354    0.000012688
     73        1           0.000023241   -0.000012428   -0.000011399
     74        6          -0.000030923   -0.000023368   -0.000025381
     75        1           0.000009828    0.000005216   -0.000000358
     76        1           0.000008412   -0.000005819   -0.000014484
     77        1           0.000001922    0.000019626    0.000005583
     78        6          -0.000038020   -0.000014623   -0.000006806
     79        1           0.000008885    0.000004342    0.000009038
     80        1          -0.000004766   -0.000001746    0.000000889
     81        1           0.000002086   -0.000007911    0.000000195
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000273016 RMS     0.000042281

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000197026 RMS     0.000020102
 Search for a local minimum.
 Step number  40 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40
 DE= -2.58D-06 DEPred=-1.28D-06 R= 2.02D+00
 TightC=F SS=  1.41D+00  RLast= 2.32D-02 DXNew= 5.0454D+00 6.9726D-02
 Trust test= 2.02D+00 RLast= 2.32D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00083   0.00101   0.00196   0.00225   0.00230
     Eigenvalues ---    0.00232   0.00234   0.00241   0.00306   0.00390
     Eigenvalues ---    0.00516   0.00536   0.00600   0.00642   0.00682
     Eigenvalues ---    0.00734   0.00793   0.00829   0.00898   0.00953
     Eigenvalues ---    0.01143   0.01222   0.01282   0.01374   0.01444
     Eigenvalues ---    0.01513   0.01594   0.01742   0.01759   0.01792
     Eigenvalues ---    0.01808   0.01912   0.01923   0.01941   0.01970
     Eigenvalues ---    0.02061   0.02102   0.02116   0.02252   0.02285
     Eigenvalues ---    0.02346   0.02370   0.02429   0.02695   0.02867
     Eigenvalues ---    0.03006   0.03458   0.03668   0.03921   0.04015
     Eigenvalues ---    0.04104   0.04137   0.04240   0.04378   0.04450
     Eigenvalues ---    0.04811   0.04851   0.04935   0.05213   0.05319
     Eigenvalues ---    0.05369   0.05381   0.05387   0.05401   0.05435
     Eigenvalues ---    0.05462   0.05508   0.05511   0.05531   0.05548
     Eigenvalues ---    0.05707   0.06139   0.06243   0.06864   0.06997
     Eigenvalues ---    0.07384   0.07478   0.07669   0.07788   0.08301
     Eigenvalues ---    0.08594   0.08704   0.09177   0.09325   0.09478
     Eigenvalues ---    0.09684   0.10021   0.10326   0.10646   0.10936
     Eigenvalues ---    0.12006   0.12228   0.12517   0.12853   0.12937
     Eigenvalues ---    0.13030   0.13383   0.14148   0.14588   0.15035
     Eigenvalues ---    0.15212   0.15811   0.15868   0.15917   0.15946
     Eigenvalues ---    0.15978   0.15985   0.15990   0.15995   0.15996
     Eigenvalues ---    0.15999   0.16000   0.16001   0.16004   0.16006
     Eigenvalues ---    0.16009   0.16011   0.16014   0.16024   0.16039
     Eigenvalues ---    0.16045   0.16054   0.16066   0.16105   0.16135
     Eigenvalues ---    0.16144   0.16231   0.16319   0.16430   0.16456
     Eigenvalues ---    0.16626   0.18062   0.20422   0.20770   0.21087
     Eigenvalues ---    0.21576   0.22233   0.22422   0.22446   0.22802
     Eigenvalues ---    0.22936   0.23024   0.23202   0.23599   0.23886
     Eigenvalues ---    0.24057   0.24265   0.24400   0.24818   0.25098
     Eigenvalues ---    0.25141   0.26047   0.27366   0.27682   0.28138
     Eigenvalues ---    0.28233   0.28383   0.28768   0.29422   0.30353
     Eigenvalues ---    0.30822   0.31031   0.31537   0.31767   0.32005
     Eigenvalues ---    0.33579   0.33619   0.33632   0.33663   0.33671
     Eigenvalues ---    0.33775   0.33803   0.33859   0.33868   0.33915
     Eigenvalues ---    0.33929   0.33940   0.33984   0.34004   0.34008
     Eigenvalues ---    0.34032   0.34058   0.34081   0.34091   0.34124
     Eigenvalues ---    0.34136   0.34180   0.34181   0.34195   0.34210
     Eigenvalues ---    0.34297   0.34310   0.34370   0.34667   0.35411
     Eigenvalues ---    0.35605   0.35763   0.36152   0.36240   0.36342
     Eigenvalues ---    0.36511   0.36542   0.38496   0.39092   0.39551
     Eigenvalues ---    0.40586   0.42303   0.42570   0.42754   0.43178
     Eigenvalues ---    0.45267   0.45343   0.45488   0.45537   0.45583
     Eigenvalues ---    0.45603   0.45647   0.46434   0.48962   0.49266
     Eigenvalues ---    0.49593   0.49807   0.50897   0.52564   0.54527
     Eigenvalues ---    0.54900   0.55095   0.56546   0.66925   0.73294
     Eigenvalues ---    0.766201000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    40   39   38   37   36
 RFO step:  Lambda=-4.35924462D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.44461   -0.01098   -0.59706    0.02500    0.13842
 Iteration  1 RMS(Cart)=  0.00297705 RMS(Int)=  0.00000406
 Iteration  2 RMS(Cart)=  0.00000617 RMS(Int)=  0.00000161
 Iteration  3 RMS(Cart)=  0.00000003 RMS(Int)=  0.00000161
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00003   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00003   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00001   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00001   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00001   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00001   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00002   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00002   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00000   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93054  -0.00005   0.00000  -0.00012  -0.00011   2.93043
    R2        2.07164  -0.00001   0.00005  -0.00001   0.00003   2.07167
    R3        2.07056  -0.00006  -0.00004  -0.00005  -0.00009   2.07048
    R4        2.07682  -0.00006  -0.00002  -0.00007  -0.00009   2.07673
    R5        2.84172  -0.00002   0.00001  -0.00007  -0.00006   2.84167
    R6        2.06993  -0.00007   0.00000  -0.00008  -0.00007   2.06986
    R7        2.07992  -0.00008   0.00001  -0.00009  -0.00008   2.07984
    R8        2.62098  -0.00002   0.00001  -0.00004  -0.00002   2.62096
    R9        2.65392   0.00002   0.00001   0.00001   0.00002   2.65394
   R10        2.65813   0.00007   0.00009   0.00005   0.00014   2.65827
   R11        2.04219   0.00002  -0.00001   0.00001   0.00000   2.04219
   R12        2.59538  -0.00006  -0.00008  -0.00005  -0.00013   2.59525
   R13        1.91173   0.00000   0.00000   0.00000   0.00000   1.91173
   R14        2.53414   0.00002   0.00000   0.00002   0.00001   2.53416
   R15        2.03606   0.00000   0.00001   0.00000   0.00001   2.03607
   R16        4.14807   0.00000   0.00035  -0.00026   0.00010   4.14817
   R17        2.91880  -0.00001  -0.00005   0.00001  -0.00004   2.91876
   R18        2.07374   0.00001   0.00006   0.00001   0.00006   2.07380
   R19        2.07757  -0.00002   0.00001  -0.00002   0.00000   2.07757
   R20        2.07570   0.00000  -0.00006   0.00000  -0.00006   2.07564
   R21        2.92645  -0.00002  -0.00001   0.00006   0.00005   2.92651
   R22        2.07735   0.00000  -0.00002   0.00001  -0.00001   2.07734
   R23        2.07289   0.00001   0.00004   0.00000   0.00004   2.07293
   R24        2.88471   0.00000  -0.00023   0.00004  -0.00019   2.88451
   R25        2.07123  -0.00001  -0.00004  -0.00002  -0.00006   2.07118
   R26        2.07737   0.00000  -0.00001  -0.00001  -0.00002   2.07735
   R27        2.40882   0.00001   0.00004   0.00011   0.00015   2.40898
   R28        2.52741  -0.00015  -0.00004  -0.00017  -0.00021   2.52720
   R29        4.13036  -0.00007  -0.00428  -0.00357  -0.00786   4.12250
   R30        2.55766   0.00020  -0.00001   0.00029   0.00029   2.55795
   R31        2.91618   0.00000  -0.00003  -0.00001  -0.00003   2.91614
   R32        2.07169   0.00000  -0.00003   0.00002  -0.00001   2.07168
   R33        2.07040   0.00000   0.00001   0.00000   0.00000   2.07041
   R34        2.07368  -0.00001   0.00002  -0.00002  -0.00001   2.07367
   R35        2.84638   0.00002   0.00001   0.00002   0.00004   2.84642
   R36        2.07937   0.00000  -0.00002   0.00001  -0.00001   2.07936
   R37        2.08027  -0.00001  -0.00003   0.00000  -0.00003   2.08024
   R38        2.62021   0.00001  -0.00008   0.00002  -0.00005   2.62015
   R39        2.65641   0.00001   0.00013  -0.00003   0.00010   2.65651
   R40        2.65617   0.00001   0.00006  -0.00001   0.00005   2.65623
   R41        2.03514   0.00000   0.00000  -0.00001  -0.00001   2.03513
   R42        2.59524   0.00001  -0.00006  -0.00001  -0.00006   2.59518
   R43        1.91280   0.00000  -0.00001   0.00000   0.00000   1.91279
   R44        2.53228  -0.00001   0.00001   0.00001   0.00003   2.53231
   R45        2.03602  -0.00001   0.00002  -0.00001   0.00001   2.03603
   R46        4.06688   0.00002   0.00003  -0.00030  -0.00027   4.06661
   R47        2.91817   0.00000   0.00004   0.00001   0.00006   2.91823
   R48        2.07259   0.00000   0.00001   0.00000   0.00000   2.07259
   R49        2.07234   0.00000  -0.00005   0.00001  -0.00004   2.07230
   R50        2.07057  -0.00001   0.00001  -0.00001  -0.00001   2.07056
   R51        2.84448  -0.00002  -0.00001  -0.00002  -0.00002   2.84446
   R52        2.07855   0.00000   0.00000   0.00000   0.00000   2.07855
   R53        2.07871   0.00000   0.00000   0.00000   0.00000   2.07871
   R54        2.62225   0.00001   0.00000   0.00001   0.00000   2.62225
   R55        2.65352  -0.00002  -0.00003  -0.00003  -0.00005   2.65346
   R56        2.64865  -0.00003   0.00001  -0.00004  -0.00003   2.64862
   R57        2.03588   0.00000   0.00001  -0.00001   0.00000   2.03589
   R58        2.60147  -0.00001  -0.00003   0.00000  -0.00003   2.60144
   R59        1.91292   0.00000   0.00000   0.00000   0.00000   1.91292
   R60        2.52686   0.00001   0.00001   0.00001   0.00003   2.52688
   R61        2.03642   0.00000   0.00000   0.00000   0.00000   2.03642
   R62        4.04668  -0.00008  -0.00091  -0.00061  -0.00151   4.04517
   R63        3.83597  -0.00005  -0.00023  -0.00009  -0.00032   3.83565
   R64        4.51194  -0.00005   0.00147   0.00091   0.00238   4.51432
   R65        4.32935   0.00009   0.00112   0.00125   0.00237   4.33172
   R66        1.85878   0.00000   0.00022   0.00009   0.00031   1.85909
   R67        2.09198  -0.00001  -0.00005  -0.00006  -0.00011   2.09188
   R68        2.39596   0.00003  -0.00005   0.00002  -0.00003   2.39593
   R69        2.58405  -0.00009   0.00007  -0.00008  -0.00001   2.58405
   R70        2.86860   0.00004  -0.00004   0.00008   0.00003   2.86863
   R71        2.76855  -0.00002   0.00003  -0.00004  -0.00001   2.76854
   R72        1.91410  -0.00001  -0.00001   0.00000  -0.00001   1.91408
   R73        2.90190  -0.00001  -0.00011   0.00002  -0.00009   2.90181
   R74        2.07416   0.00001   0.00000   0.00000   0.00000   2.07417
   R75        2.06957   0.00000  -0.00001  -0.00001  -0.00002   2.06956
   R76        2.41259  -0.00003  -0.00001  -0.00004  -0.00004   2.41255
   R77        2.55024   0.00001   0.00008   0.00002   0.00010   2.55034
   R78        1.91786   0.00000   0.00001   0.00000   0.00001   1.91787
   R79        2.78922  -0.00004   0.00005  -0.00004   0.00001   2.78923
   R80        2.06891   0.00000  -0.00003   0.00003   0.00000   2.06891
   R81        2.06334  -0.00001   0.00001  -0.00003  -0.00002   2.06333
   R82        2.07187   0.00000  -0.00004   0.00000  -0.00004   2.07183
   R83        2.07208  -0.00001  -0.00003  -0.00001  -0.00004   2.07204
   R84        2.06855   0.00000   0.00004   0.00001   0.00005   2.06859
   R85        2.06899  -0.00001   0.00000  -0.00001  -0.00001   2.06898
    A1        1.92379   0.00001   0.00001   0.00005   0.00006   1.92385
    A2        1.93548  -0.00001  -0.00001  -0.00006  -0.00007   1.93541
    A3        1.95303  -0.00001  -0.00004  -0.00002  -0.00006   1.95298
    A4        1.88818   0.00000   0.00003   0.00000   0.00003   1.88822
    A5        1.87353   0.00000   0.00009  -0.00001   0.00008   1.87361
    A6        1.88747   0.00001  -0.00007   0.00003  -0.00005   1.88742
    A7        1.98690  -0.00003   0.00000  -0.00021  -0.00020   1.98670
    A8        1.90939   0.00001   0.00008  -0.00002   0.00006   1.90945
    A9        1.90665   0.00000  -0.00003   0.00003   0.00000   1.90665
   A10        1.88015   0.00001   0.00010  -0.00002   0.00008   1.88023
   A11        1.91958   0.00002  -0.00008   0.00017   0.00008   1.91966
   A12        1.85653   0.00000  -0.00006   0.00005  -0.00001   1.85653
   A13        2.30440  -0.00002   0.00020  -0.00012   0.00008   2.30449
   A14        2.14689   0.00001  -0.00015   0.00008  -0.00007   2.14682
   A15        1.83190   0.00000  -0.00005   0.00004  -0.00002   1.83188
   A16        1.91606  -0.00001   0.00006  -0.00004   0.00002   1.91608
   A17        2.24337  -0.00001  -0.00014  -0.00009  -0.00023   2.24314
   A18        2.12365   0.00002   0.00008   0.00013   0.00021   2.12386
   A19        1.89590   0.00002   0.00002  -0.00001   0.00001   1.89591
   A20        2.19100   0.00001  -0.00007   0.00007   0.00000   2.19099
   A21        2.19622  -0.00003   0.00005  -0.00006  -0.00001   2.19621
   A22        1.92270   0.00001   0.00008   0.00001   0.00009   1.92279
   A23        2.16207  -0.00001  -0.00004   0.00000  -0.00005   2.16203
   A24        2.19840   0.00000  -0.00004  -0.00001  -0.00004   2.19836
   A25        1.85822  -0.00002  -0.00010   0.00000  -0.00010   1.85812
   A26        2.21862  -0.00004  -0.00061  -0.00004  -0.00065   2.21797
   A27        2.20577   0.00006   0.00069   0.00005   0.00074   2.20651
   A28        1.93550   0.00000  -0.00007   0.00004  -0.00003   1.93547
   A29        1.93450   0.00000   0.00001   0.00001   0.00002   1.93452
   A30        1.93420   0.00001   0.00008   0.00000   0.00008   1.93428
   A31        1.88943   0.00000  -0.00018  -0.00003  -0.00021   1.88922
   A32        1.88565   0.00000   0.00003  -0.00001   0.00003   1.88568
   A33        1.88270   0.00000   0.00013  -0.00002   0.00010   1.88280
   A34        1.97073   0.00000  -0.00008   0.00014   0.00006   1.97078
   A35        1.91256   0.00002   0.00011   0.00002   0.00013   1.91269
   A36        1.91140   0.00000   0.00005   0.00000   0.00004   1.91145
   A37        1.90089  -0.00001  -0.00011  -0.00004  -0.00015   1.90074
   A38        1.89041   0.00001   0.00014  -0.00008   0.00006   1.89047
   A39        1.87535  -0.00001  -0.00011  -0.00004  -0.00016   1.87519
   A40        1.94198   0.00000   0.00007   0.00001   0.00007   1.94205
   A41        1.94114   0.00000  -0.00011  -0.00006  -0.00017   1.94097
   A42        1.90416  -0.00001  -0.00015  -0.00009  -0.00023   1.90393
   A43        1.90343  -0.00001  -0.00012   0.00001  -0.00011   1.90332
   A44        1.88765   0.00001   0.00009   0.00008   0.00017   1.88781
   A45        1.88381   0.00001   0.00024   0.00006   0.00030   1.88410
   A46        2.10640  -0.00001   0.00024  -0.00011   0.00013   2.10653
   A47        2.03968   0.00001  -0.00011   0.00018   0.00007   2.03975
   A48        2.13648   0.00000  -0.00014  -0.00004  -0.00018   2.13630
   A49        1.81220   0.00003   0.00032   0.00012   0.00044   1.81264
   A50        1.84411   0.00001  -0.00017  -0.00003  -0.00020   1.84391
   A51        1.93828  -0.00001  -0.00006  -0.00003  -0.00008   1.93820
   A52        1.92240   0.00001   0.00010   0.00000   0.00010   1.92250
   A53        1.94202   0.00001  -0.00001   0.00004   0.00002   1.94205
   A54        1.88615   0.00000  -0.00012   0.00001  -0.00011   1.88604
   A55        1.89165   0.00000   0.00006   0.00001   0.00007   1.89172
   A56        1.88144   0.00000   0.00004  -0.00003   0.00001   1.88144
   A57        1.97639   0.00002  -0.00010   0.00003  -0.00007   1.97632
   A58        1.90161  -0.00001  -0.00003  -0.00005  -0.00009   1.90153
   A59        1.90701   0.00000   0.00011   0.00003   0.00015   1.90716
   A60        1.90440   0.00000   0.00009  -0.00002   0.00008   1.90447
   A61        1.91291  -0.00001  -0.00012   0.00003  -0.00009   1.91282
   A62        1.85774   0.00000   0.00006  -0.00003   0.00002   1.85776
   A63        2.32069   0.00000   0.00001  -0.00001  -0.00001   2.32068
   A64        2.13632   0.00002   0.00001   0.00002   0.00004   2.13635
   A65        1.82605  -0.00002  -0.00001  -0.00002  -0.00003   1.82603
   A66        1.91813   0.00001   0.00002   0.00004   0.00006   1.91819
   A67        2.24611   0.00001   0.00006   0.00000   0.00006   2.24617
   A68        2.11827  -0.00001  -0.00008  -0.00002  -0.00010   2.11817
   A69        1.90199   0.00001  -0.00001   0.00000  -0.00002   1.90197
   A70        2.18846   0.00000  -0.00002   0.00000  -0.00002   2.18844
   A71        2.19230  -0.00001   0.00003  -0.00001   0.00002   2.19232
   A72        1.91671   0.00000   0.00003   0.00004   0.00006   1.91677
   A73        2.18689   0.00000   0.00002   0.00000   0.00002   2.18691
   A74        2.17883   0.00000  -0.00003  -0.00002  -0.00005   2.17878
   A75        1.86187   0.00000  -0.00002  -0.00006  -0.00008   1.86179
   A76        2.19921  -0.00001   0.00031   0.00023   0.00054   2.19975
   A77        2.19691   0.00000  -0.00042  -0.00029  -0.00071   2.19620
   A78        1.94206   0.00000  -0.00001  -0.00001  -0.00002   1.94204
   A79        1.94037   0.00001  -0.00006   0.00004  -0.00002   1.94035
   A80        1.92543  -0.00001  -0.00008  -0.00001  -0.00009   1.92534
   A81        1.89018   0.00000   0.00005   0.00000   0.00005   1.89023
   A82        1.87705   0.00000   0.00001   0.00000   0.00001   1.87706
   A83        1.88660   0.00000   0.00009  -0.00002   0.00007   1.88668
   A84        1.95894  -0.00001  -0.00002  -0.00001  -0.00003   1.95891
   A85        1.90788   0.00000  -0.00002  -0.00001  -0.00004   1.90785
   A86        1.90628   0.00000  -0.00003   0.00003   0.00000   1.90628
   A87        1.91225   0.00000  -0.00001   0.00001   0.00000   1.91225
   A88        1.91957   0.00000   0.00006  -0.00001   0.00005   1.91962
   A89        1.85604   0.00000   0.00003  -0.00001   0.00002   1.85606
   A90        2.30229  -0.00002  -0.00013  -0.00004  -0.00017   2.30212
   A91        2.15448   0.00001   0.00010   0.00005   0.00015   2.15463
   A92        1.82640   0.00001   0.00002  -0.00001   0.00001   1.82641
   A93        1.91786  -0.00001  -0.00003   0.00002  -0.00002   1.91785
   A94        2.24950   0.00001  -0.00002   0.00000  -0.00003   2.24947
   A95        2.11582   0.00000   0.00006  -0.00001   0.00004   2.11587
   A96        1.89969   0.00000   0.00001   0.00001   0.00002   1.89971
   A97        2.19039   0.00000   0.00007   0.00000   0.00007   2.19046
   A98        2.19298  -0.00001  -0.00008  -0.00001  -0.00009   2.19289
   A99        1.91558  -0.00001  -0.00001  -0.00002  -0.00003   1.91555
   A100       2.18910   0.00001   0.00011   0.00004   0.00015   2.18924
   A101       2.17825   0.00000  -0.00011  -0.00001  -0.00012   2.17813
   A102       1.86522   0.00001   0.00001   0.00000   0.00001   1.86523
   A103       2.21180   0.00003  -0.00010   0.00009  -0.00001   2.21179
   A104       2.19125  -0.00004   0.00020  -0.00009   0.00011   2.19135
   A105       1.71297   0.00001   0.00009   0.00042   0.00051   1.71348
   A106       1.56120  -0.00001   0.00003   0.00005   0.00008   1.56128
   A107       1.68730   0.00002  -0.00019   0.00005  -0.00015   1.68715
   A108       3.00381   0.00001  -0.00001  -0.00012  -0.00013   3.00367
   A109       1.66405   0.00001   0.00012  -0.00001   0.00010   1.66416
   A110       1.72115  -0.00001   0.00058   0.00014   0.00073   1.72188
   A111       1.61237   0.00002  -0.00021   0.00014  -0.00007   1.61231
   A112       1.48520  -0.00001   0.00041  -0.00006   0.00035   1.48556
   A113       2.89694  -0.00002  -0.00036  -0.00042  -0.00078   2.89617
   A114       2.90679  -0.00001  -0.00025  -0.00037  -0.00062   2.90617
   A115       1.44743   0.00002   0.00007  -0.00008   0.00000   1.44743
   A116       1.48823   0.00002   0.00000  -0.00006  -0.00006   1.48817
   A117       1.57702  -0.00002  -0.00003  -0.00011  -0.00013   1.57688
   A118       1.43554  -0.00003  -0.00035  -0.00031  -0.00067   1.43487
   A119       1.43138  -0.00001  -0.00056  -0.00033  -0.00089   1.43049
   A120       2.10331   0.00004  -0.00006  -0.00012  -0.00018   2.10313
   A121       2.17852  -0.00001   0.00022   0.00023   0.00045   2.17898
   A122       1.77027  -0.00003  -0.00050  -0.00049  -0.00099   1.76928
   A123       2.06811   0.00003   0.00133   0.00130   0.00264   2.07075
   A124       2.91418  -0.00005  -0.00055  -0.00078  -0.00133   2.91284
   A125       2.13075   0.00005   0.00007   0.00011   0.00018   2.13093
   A126       2.11503  -0.00004   0.00004  -0.00008  -0.00004   2.11499
   A127       2.03726  -0.00001  -0.00011  -0.00003  -0.00014   2.03712
   A128       2.29641  -0.00004   0.00032  -0.00017   0.00015   2.29656
   A129       2.14528   0.00002   0.00002   0.00005   0.00007   2.14535
   A130       2.07037  -0.00001   0.00002  -0.00005  -0.00003   2.07034
   A131       2.06717  -0.00001  -0.00006   0.00001  -0.00005   2.06712
   A132       1.98107  -0.00002  -0.00006  -0.00008  -0.00014   1.98094
   A133       1.90333  -0.00001  -0.00004   0.00002  -0.00002   1.90331
   A134       1.90229   0.00001   0.00000   0.00000   0.00000   1.90229
   A135       1.81971   0.00002  -0.00005   0.00003  -0.00003   1.81968
   A136       1.94891   0.00001   0.00011   0.00005   0.00016   1.94907
   A137       1.90569   0.00000   0.00003  -0.00001   0.00002   1.90572
   A138       2.09897  -0.00001  -0.00008  -0.00006  -0.00015   2.09882
   A139       2.03158  -0.00001   0.00014  -0.00004   0.00010   2.03168
   A140       2.15051   0.00002  -0.00006   0.00009   0.00002   2.15054
   A141       2.07465   0.00003  -0.00043  -0.00014  -0.00057   2.07408
   A142       2.06352   0.00000   0.00003  -0.00008  -0.00005   2.06347
   A143       2.16064   0.00000  -0.00028   0.00015  -0.00013   2.16051
   A144       2.03955   0.00000   0.00003  -0.00003   0.00000   2.03955
   A145       1.91410   0.00001   0.00004   0.00015   0.00019   1.91429
   A146       1.89521  -0.00001  -0.00015  -0.00005  -0.00021   1.89500
   A147       1.90490   0.00001   0.00007   0.00002   0.00009   1.90499
   A148       1.91096   0.00001   0.00000  -0.00001  -0.00001   1.91095
   A149       1.92999  -0.00002   0.00021  -0.00006   0.00015   1.93014
   A150       1.90831   0.00000  -0.00018  -0.00005  -0.00022   1.90808
   A151       1.90454  -0.00002   0.00018  -0.00009   0.00009   1.90463
   A152       1.90419   0.00001   0.00001   0.00003   0.00004   1.90423
   A153       1.97686   0.00001  -0.00003   0.00003   0.00000   1.97686
   A154       1.87645   0.00000  -0.00010   0.00000  -0.00010   1.87635
   A155       1.89325   0.00000   0.00000   0.00003   0.00003   1.89329
   A156       1.90596   0.00000  -0.00006  -0.00001  -0.00007   1.90589
    D1        3.11055   0.00000   0.00023  -0.00007   0.00015   3.11070
    D2        1.00631   0.00000   0.00004   0.00010   0.00014   1.00645
    D3       -1.01947   0.00000   0.00009   0.00002   0.00012  -1.01935
    D4        1.02001  -0.00001   0.00019  -0.00007   0.00012   1.02013
    D5       -1.08422   0.00000   0.00001   0.00010   0.00010  -1.08412
    D6       -3.11000   0.00000   0.00006   0.00002   0.00008  -3.10992
    D7       -1.08914   0.00000   0.00032  -0.00006   0.00026  -1.08887
    D8        3.08981   0.00000   0.00013   0.00011   0.00025   3.09006
    D9        1.06404   0.00000   0.00018   0.00004   0.00022   1.06426
   D10       -2.12339   0.00001   0.00141   0.00090   0.00231  -2.12108
   D11        1.02081   0.00000   0.00147   0.00015   0.00162   1.02243
   D12       -0.00283   0.00001   0.00158   0.00073   0.00231  -0.00052
   D13        3.14137  -0.00001   0.00164  -0.00002   0.00162  -3.14019
   D14        2.01367   0.00002   0.00152   0.00088   0.00239   2.01607
   D15       -1.12531   0.00001   0.00158   0.00012   0.00170  -1.12361
   D16       -3.13782  -0.00001  -0.00038  -0.00035  -0.00073  -3.13855
   D17        0.01922  -0.00002   0.00003  -0.00068  -0.00065   0.01858
   D18        0.00151   0.00000  -0.00043   0.00030  -0.00013   0.00138
   D19       -3.12463  -0.00001  -0.00002  -0.00003  -0.00005  -3.12468
   D20        3.13826   0.00001   0.00014   0.00052   0.00066   3.13892
   D21       -0.01539   0.00000   0.00040   0.00022   0.00062  -0.01477
   D22       -0.00133   0.00000   0.00019  -0.00006   0.00013  -0.00120
   D23        3.12820  -0.00001   0.00045  -0.00036   0.00009   3.12830
   D24       -0.00114  -0.00001   0.00052  -0.00043   0.00009  -0.00105
   D25        3.10561   0.00000  -0.00033   0.00017  -0.00017   3.10544
   D26        3.12625   0.00000   0.00014  -0.00013   0.00001   3.12626
   D27       -0.05018   0.00001  -0.00072   0.00047  -0.00025  -0.05043
   D28        0.00068  -0.00001   0.00013  -0.00021  -0.00008   0.00060
   D29       -3.13620   0.00000   0.00049  -0.00009   0.00041  -3.13580
   D30       -3.12881   0.00000  -0.00013   0.00009  -0.00004  -3.12886
   D31        0.01749   0.00001   0.00023   0.00020   0.00044   0.01793
   D32        0.00027   0.00001  -0.00039   0.00039  -0.00001   0.00026
   D33       -3.10681   0.00000   0.00048  -0.00020   0.00029  -3.10653
   D34        3.13703   0.00000  -0.00076   0.00027  -0.00050   3.13653
   D35        0.02995   0.00000   0.00011  -0.00032  -0.00021   0.02974
   D36        1.95387   0.00000  -0.00061  -0.00112  -0.00174   1.95213
   D37       -2.60800  -0.00001  -0.00002  -0.00097  -0.00098  -2.60899
   D38        0.32402  -0.00002  -0.00038  -0.00133  -0.00171   0.32231
   D39       -2.34314   0.00000   0.00334   0.00135   0.00468  -2.33846
   D40       -1.12104   0.00001  -0.00002  -0.00102  -0.00104  -1.12207
   D41       -1.22923   0.00001  -0.00165  -0.00042  -0.00207  -1.23130
   D42        0.49208   0.00000  -0.00106  -0.00026  -0.00131   0.49077
   D43       -2.85908  -0.00001  -0.00142  -0.00062  -0.00204  -2.86113
   D44        0.75694   0.00001   0.00230   0.00205   0.00435   0.76129
   D45        1.97905   0.00002  -0.00106  -0.00031  -0.00137   1.97768
   D46        1.06266   0.00000   0.00048  -0.00010   0.00037   1.06304
   D47       -3.09834   0.00000   0.00036  -0.00004   0.00031  -3.09802
   D48       -1.04533   0.00000   0.00032  -0.00008   0.00023  -1.04510
   D49       -1.03650   0.00000   0.00075  -0.00010   0.00065  -1.03585
   D50        1.08569   0.00000   0.00063  -0.00004   0.00059   1.08628
   D51        3.13870   0.00000   0.00059  -0.00008   0.00050   3.13920
   D52       -3.12633   0.00000   0.00053  -0.00008   0.00045  -3.12588
   D53       -1.00415   0.00000   0.00041  -0.00002   0.00039  -1.00376
   D54        1.04886   0.00000   0.00037  -0.00007   0.00031   1.04917
   D55       -1.08501   0.00001  -0.00021   0.00045   0.00025  -1.08476
   D56        1.04085   0.00000  -0.00039   0.00043   0.00004   1.04089
   D57        3.11689   0.00000  -0.00026   0.00041   0.00015   3.11703
   D58        3.06942   0.00000  -0.00021   0.00036   0.00015   3.06957
   D59       -1.08790  -0.00001  -0.00040   0.00034  -0.00006  -1.08797
   D60        0.98813  -0.00001  -0.00027   0.00031   0.00005   0.98818
   D61        1.03490   0.00001  -0.00010   0.00048   0.00038   1.03528
   D62       -3.12243   0.00000  -0.00028   0.00045   0.00017  -3.12226
   D63       -1.04640   0.00000  -0.00015   0.00043   0.00028  -1.04611
   D64       -0.87086  -0.00001  -0.00203  -0.00155  -0.00358  -0.87444
   D65        2.23376   0.00000  -0.00220  -0.00073  -0.00293   2.23083
   D66       -3.01850  -0.00001  -0.00185  -0.00149  -0.00333  -3.02183
   D67        0.08612   0.00000  -0.00202  -0.00067  -0.00269   0.08344
   D68        1.22026  -0.00002  -0.00211  -0.00161  -0.00372   1.21654
   D69       -1.95831  -0.00001  -0.00228  -0.00079  -0.00307  -1.96138
   D70        2.98441  -0.00001  -0.00041   0.00044   0.00003   2.98444
   D71       -0.11811  -0.00002  -0.00023  -0.00043  -0.00066  -0.11877
   D72       -2.99418   0.00000  -0.00013  -0.00037  -0.00050  -2.99468
   D73        0.10976   0.00001  -0.00029   0.00046   0.00017   0.10992
   D74        0.00283   0.00001   0.00180   0.00036   0.00216   0.00499
   D75        0.25283  -0.00001  -0.00198  -0.00232  -0.00431   0.24852
   D76       -1.04678   0.00000  -0.00048   0.00025  -0.00022  -1.04701
   D77        1.07586   0.00000  -0.00045   0.00022  -0.00023   1.07563
   D78        3.09895  -0.00001  -0.00034   0.00017  -0.00017   3.09877
   D79       -3.13567   0.00001  -0.00035   0.00026  -0.00010  -3.13576
   D80       -1.01302   0.00001  -0.00032   0.00022  -0.00011  -1.01313
   D81        1.01006   0.00000  -0.00021   0.00017  -0.00004   1.01002
   D82        1.06212   0.00000  -0.00045   0.00027  -0.00018   1.06193
   D83       -3.09842   0.00000  -0.00042   0.00023  -0.00019  -3.09861
   D84       -1.07534  -0.00001  -0.00031   0.00018  -0.00013  -1.07547
   D85       -0.10192   0.00001   0.00030   0.00133   0.00162  -0.10030
   D86        3.01978   0.00000   0.00112   0.00088   0.00199   3.02177
   D87       -2.22300   0.00001   0.00034   0.00138   0.00172  -2.22128
   D88        0.89870   0.00001   0.00116   0.00093   0.00209   0.90079
   D89        2.03226   0.00002   0.00029   0.00141   0.00170   2.03396
   D90       -1.12923   0.00001   0.00111   0.00097   0.00207  -1.12716
   D91        3.11952   0.00000   0.00070   0.00010   0.00081   3.12033
   D92        0.01755  -0.00001   0.00060  -0.00033   0.00027   0.01782
   D93       -0.00471   0.00001  -0.00001   0.00049   0.00048  -0.00423
   D94       -3.10668   0.00000  -0.00012   0.00006  -0.00006  -3.10674
   D95       -3.11994   0.00001  -0.00062   0.00046  -0.00016  -3.12010
   D96       -0.00856  -0.00001  -0.00062  -0.00017  -0.00078  -0.00934
   D97        0.00661   0.00000   0.00000   0.00012   0.00012   0.00673
   D98        3.11799  -0.00001   0.00000  -0.00051  -0.00051   3.11748
   D99        0.00109  -0.00001   0.00002  -0.00094  -0.00092   0.00018
   D100      -2.91150   0.00000   0.00066  -0.00038   0.00028  -2.91122
   D101       3.10647   0.00000   0.00012  -0.00054  -0.00042   3.10605
   D102       0.19388   0.00001   0.00077   0.00001   0.00078   0.19466
   D103      -0.00627  -0.00001   0.00001  -0.00072  -0.00071  -0.00698
   D104       3.09505   0.00000   0.00026  -0.00018   0.00007   3.09513
   D105      -3.11757   0.00000   0.00001  -0.00009  -0.00008  -3.11765
   D106      -0.01624   0.00001   0.00026   0.00045   0.00070  -0.01554
   D107       0.00318   0.00001  -0.00002   0.00100   0.00099   0.00417
   D108       2.91617   0.00000  -0.00054   0.00054   0.00000   2.91616
   D109      -3.09837   0.00000  -0.00026   0.00047   0.00020  -3.09817
   D110      -0.18539  -0.00001  -0.00079   0.00000  -0.00079  -0.18617
   D111      -0.47316  -0.00001   0.00025  -0.00037  -0.00012  -0.47328
   D112      -2.05584   0.00000   0.00012  -0.00050  -0.00038  -2.05623
   D113       1.22143   0.00001   0.00003  -0.00027  -0.00025   1.22118
   D114       2.79490  -0.00002   0.00004  -0.00040  -0.00036   2.79454
   D115       2.39097  -0.00001  -0.00186  -0.00035  -0.00221   2.38876
   D116       2.94012   0.00000   0.00094   0.00024   0.00118   2.94130
   D117       1.35743   0.00001   0.00081   0.00011   0.00092   1.35835
   D118      -1.64848   0.00002   0.00072   0.00034   0.00105  -1.64743
   D119      -0.07501  -0.00001   0.00073   0.00021   0.00094  -0.07407
   D120      -0.47894   0.00000  -0.00117   0.00026  -0.00091  -0.47985
   D121      -1.05688   0.00000  -0.00007  -0.00007  -0.00013  -1.05701
   D122       3.10087   0.00000  -0.00002  -0.00007  -0.00009   3.10078
   D123       1.07673   0.00000  -0.00003  -0.00006  -0.00009   1.07664
   D124       1.05159   0.00000  -0.00004  -0.00005  -0.00009   1.05150
   D125      -1.07385   0.00000   0.00000  -0.00005  -0.00005  -1.07390
   D126      -3.09798   0.00000   0.00000  -0.00005  -0.00005  -3.09803
   D127      -3.13881   0.00000  -0.00002  -0.00005  -0.00007  -3.13888
   D128       1.01894   0.00000   0.00003  -0.00006  -0.00003   1.01891
   D129      -1.00519   0.00000   0.00002  -0.00005  -0.00003  -1.00522
   D130       0.37066   0.00000  -0.00040  -0.00067  -0.00107   0.36959
   D131      -2.76288   0.00000   0.00016  -0.00067  -0.00051  -2.76339
   D132       2.49360   0.00000  -0.00045  -0.00068  -0.00113   2.49247
   D133      -0.63994   0.00000   0.00011  -0.00068  -0.00057  -0.64051
   D134      -1.75539   0.00000  -0.00039  -0.00069  -0.00108  -1.75647
   D135       1.39425   0.00000   0.00017  -0.00069  -0.00052   1.39373
   D136      -3.12720  -0.00001   0.00036  -0.00013   0.00022  -3.12698
   D137       0.01277  -0.00001   0.00088  -0.00019   0.00069   0.01346
   D138       0.00745  -0.00001  -0.00012  -0.00014  -0.00026   0.00719
   D139      -3.13576  -0.00001   0.00039  -0.00019   0.00021  -3.13556
   D140       3.12802   0.00000  -0.00018  -0.00018  -0.00035   3.12767
   D141       0.00283   0.00000  -0.00046   0.00001  -0.00045   0.00239
   D142      -0.00738   0.00000   0.00025  -0.00017   0.00008  -0.00730
   D143      -3.13257   0.00000  -0.00003   0.00001  -0.00001  -3.13258
   D144      -0.00481   0.00001  -0.00005   0.00040   0.00035  -0.00446
   D145       2.95913   0.00001   0.00063   0.00036   0.00098   2.96011
   D146       3.13825   0.00001  -0.00053   0.00045  -0.00007   3.13818
   D147      -0.18099   0.00001   0.00015   0.00040   0.00056  -0.18043
   D148       0.00473   0.00000  -0.00030   0.00044   0.00014   0.00487
   D149      -3.11321   0.00000  -0.00003   0.00025   0.00022  -3.11299
   D150       3.12989   0.00001  -0.00002   0.00025   0.00023   3.13013
   D151       0.01195   0.00001   0.00026   0.00006   0.00032   0.01227
   D152      -0.00001  -0.00001   0.00022  -0.00051  -0.00029  -0.00030
   D153      -2.96662  -0.00001  -0.00041  -0.00049  -0.00090  -2.96752
   D154       3.11812  -0.00001  -0.00005  -0.00032  -0.00037   3.11775
   D155       0.15150  -0.00001  -0.00068  -0.00030  -0.00098   0.15052
   D156      -1.44198  -0.00001   0.00080   0.00024   0.00103  -1.44094
   D157       0.27117   0.00000   0.00090   0.00067   0.00157   0.27274
   D158       2.79294   0.00000   0.00215   0.00057   0.00272   2.79565
   D159       1.73585  -0.00001   0.00125   0.00058   0.00183   1.73768
   D160      -3.10715  -0.00002   0.00068   0.00026   0.00094  -3.10622
   D161       1.49023   0.00000   0.00157   0.00020   0.00177   1.49200
   D162      -3.07981   0.00000   0.00168   0.00063   0.00230  -3.07751
   D163      -0.55804   0.00000   0.00292   0.00053   0.00345  -0.55459
   D164      -1.61512   0.00000   0.00202   0.00054   0.00256  -1.61256
   D165      -0.17494  -0.00002   0.00146   0.00021   0.00167  -0.17327
   D166       1.75218   0.00000   0.00005   0.00008   0.00014   1.75232
   D167      -0.58017   0.00001   0.00078   0.00086   0.00164  -0.57853
   D168       0.03319  -0.00001   0.00000  -0.00036  -0.00036   0.03283
   D169      -2.29916   0.00000   0.00073   0.00042   0.00115  -2.29801
   D170      -2.49600   0.00000  -0.00130  -0.00027  -0.00157  -2.49757
   D171       1.45483   0.00000  -0.00057   0.00050  -0.00006   1.45477
   D172      -1.45220   0.00000  -0.00041  -0.00030  -0.00070  -1.45290
   D173       2.49863   0.00001   0.00032   0.00048   0.00080   2.49943
   D174      -2.88143   0.00001   0.00016   0.00003   0.00019  -2.88124
   D175       1.06940   0.00002   0.00089   0.00081   0.00170   1.07110
   D176       1.03104   0.00000  -0.00214  -0.00250  -0.00464   1.02641
   D177       3.03161   0.00000   0.00177   0.00000   0.00177   3.03338
   D178       1.29797   0.00001   0.00124  -0.00016   0.00108   1.29905
   D179      -1.63958   0.00002   0.00156   0.00015   0.00171  -1.63787
   D180      -0.20626  -0.00001   0.00119  -0.00016   0.00104  -0.20523
   D181       2.09264   0.00000  -0.00114  -0.00028  -0.00142   2.09122
   D182      -0.77313   0.00000   0.00096  -0.00032   0.00064  -0.77250
   D183      -2.63715  -0.00001  -0.00112  -0.00024  -0.00136  -2.63851
   D184       0.41656  -0.00001  -0.00090  -0.00031  -0.00120   0.41536
   D185      -1.17967   0.00000  -0.00100  -0.00029  -0.00129  -1.18096
   D186      -2.39340   0.00001  -0.00150   0.00011  -0.00140  -2.39481
   D187       0.09693   0.00000  -0.00184  -0.00026  -0.00210   0.09482
   D188       2.08598   0.00003   0.00311   0.00176   0.00487   2.09085
   D189      -0.36611   0.00001   0.00363   0.00235   0.00598  -0.36013
   D190       0.89846   0.00002  -0.00103   0.00037  -0.00066   0.89781
   D191      -2.26199   0.00002  -0.00076   0.00041  -0.00035  -2.26234
   D192       0.07943  -0.00001   0.00028  -0.00020   0.00008   0.07951
   D193      -3.09197   0.00000  -0.00037   0.00018  -0.00019  -3.09216
   D194      -3.04409   0.00000   0.00001  -0.00023  -0.00021  -3.04431
   D195       0.06769   0.00000  -0.00063   0.00015  -0.00049   0.06720
   D196      -1.15109   0.00000   0.00056   0.00039   0.00095  -1.15015
   D197       0.89446   0.00000   0.00054   0.00036   0.00090   0.89536
   D198       3.02127   0.00000   0.00045   0.00039   0.00084   3.02211
   D199       1.97261   0.00000   0.00082   0.00042   0.00124   1.97385
   D200      -2.26502   0.00000   0.00080   0.00039   0.00120  -2.26383
   D201      -0.13821   0.00000   0.00071   0.00042   0.00113  -0.13708
   D202      -1.44764   0.00000  -0.00012   0.00002  -0.00010  -1.44774
   D203       0.57256   0.00000  -0.00024   0.00002  -0.00023   0.57234
   D204       2.65157  -0.00001  -0.00022   0.00001  -0.00021   2.65136
   D205       1.72371  -0.00001   0.00052  -0.00035   0.00017   1.72389
   D206      -2.53927  -0.00001   0.00040  -0.00036   0.00005  -2.53922
   D207      -0.46027  -0.00001   0.00042  -0.00036   0.00006  -0.46020
   D208       0.70265  -0.00002  -0.00011  -0.00043  -0.00055   0.70211
   D209      -2.50666  -0.00001  -0.00018  -0.00072  -0.00089  -2.50755
   D210      -1.36636   0.00000   0.00000  -0.00043  -0.00043  -1.36679
   D211       1.70751   0.00000  -0.00007  -0.00071  -0.00078   1.70673
   D212       2.86141  -0.00002  -0.00007  -0.00046  -0.00053   2.86089
   D213      -0.34790  -0.00001  -0.00014  -0.00074  -0.00087  -0.34877
   D214       1.00473  -0.00001   0.00078   0.00059   0.00138   1.00610
   D215      -2.06436  -0.00001   0.00085   0.00090   0.00174  -2.06261
   D216       0.00184  -0.00001  -0.00105   0.00017  -0.00088   0.00097
   D217      -2.92202   0.00000   0.00014  -0.00003   0.00011  -2.92191
   D218       3.07352   0.00000  -0.00112  -0.00013  -0.00124   3.07228
   D219       0.14966   0.00001   0.00007  -0.00033  -0.00026   0.14940
   D220      -2.45816   0.00000   0.00201   0.00260   0.00460  -2.45356
   D221      -0.37066   0.00001   0.00194   0.00264   0.00459  -0.36607
   D222       1.70827   0.00001   0.00168   0.00257   0.00425   1.71251
   D223       0.89841   0.00001   0.00318   0.00240   0.00558   0.90399
   D224       2.98591   0.00002   0.00312   0.00244   0.00556   2.99148
   D225      -1.21834   0.00002   0.00285   0.00237   0.00522  -1.21312
         Item               Value     Threshold  Converged?
 Maximum Force            0.000197     0.000450     YES
 RMS     Force            0.000020     0.000300     YES
 Maximum Displacement     0.014178     0.001800     NO 
 RMS     Displacement     0.002977     0.001200     NO 
 Predicted change in Energy=-1.163213D-06
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.073954    2.545532    3.553600
      2          6           0       -3.332301    1.187178    3.651298
      3          6           0       -2.084081    1.115034    2.815840
      4          6           0       -1.699055    0.260820    1.793240
      5          7           0       -1.006963    2.002677    2.971594
      6          6           0       -0.029244    1.669099    2.066674
      7          7           0       -0.417144    0.614605    1.334618
      8          6           0       -5.230791    0.898604    0.142977
      9          6           0       -5.874357   -0.178174   -0.758125
     10          6           0       -5.242021   -1.579166   -0.569279
     11          6           0       -3.763857   -1.575445   -0.950035
     12          8           0       -3.380075   -1.089094   -2.064139
     13          8           0       -2.905900   -2.062335   -0.047087
     14          6           0       -2.266274    4.232493   -2.990916
     15          6           0       -0.986025    3.842967   -3.759396
     16          6           0       -0.188164    2.763385   -3.076209
     17          6           0       -0.317357    2.123527   -1.852958
     18          7           0        0.934009    2.163518   -3.673750
     19          6           0        1.430725    1.203003   -2.827188
     20          7           0        0.692953    1.156861   -1.709483
     21          6           0        4.684774    4.005404    1.484432
     22          6           0        5.162270    2.627123    1.991467
     23          6           0        4.193903    1.527087    1.648117
     24          6           0        3.201445    1.433966    0.682776
     25          7           0        4.138748    0.302681    2.333269
     26          6           0        3.138550   -0.468610    1.785718
     27          7           0        2.554377    0.194671    0.782312
     28         30           0        0.757602   -0.395432   -0.220481
     29          1           0       -4.988060    2.522663    4.158342
     30          1           0       -4.354883    2.763639    2.517283
     31          1           0       -3.457261    3.376709    3.923118
     32          1           0       -4.000219    0.383480    3.323143
     33          1           0       -3.092112    0.980023    4.705206
     34          1           0       -2.251897   -0.558834    1.356886
     35          1           0       -0.965739    2.766808    3.633281
     36          1           0        0.909764    2.189915    1.977818
     37          1           0       -4.162858    1.011057   -0.083252
     38          1           0       -5.331438    0.631337    1.204638
     39          1           0       -5.714684    1.873228   -0.006693
     40          1           0       -6.950927   -0.241675   -0.545089
     41          1           0       -5.763952    0.110854   -1.810538
     42          1           0       -5.343898   -1.923889    0.466116
     43          1           0       -5.761308   -2.298407   -1.218480
     44          1           0       -2.934757    3.371075   -2.877213
     45          1           0       -2.809037    5.014371   -3.533540
     46          1           0       -2.028667    4.620441   -1.992321
     47          1           0       -1.264419    3.501883   -4.767824
     48          1           0       -0.357672    4.736577   -3.895130
     49          1           0       -1.070010    2.264293   -1.095652
     50          1           0        1.297787    2.385015   -4.591990
     51          1           0        2.263940    0.554529   -3.041832
     52          1           0        4.575637    4.011927    0.393129
     53          1           0        3.720029    4.278382    1.928635
     54          1           0        5.412570    4.780798    1.748288
     55          1           0        5.300924    2.668720    3.081820
     56          1           0        6.150469    2.405719    1.561984
     57          1           0        2.911863    2.157122   -0.061442
     58          1           0        4.728362    0.037868    3.112325
     59          1           0        2.849376   -1.449667    2.125103
     60          8           0       -0.789853   -1.394536   -1.073136
     61          1           0       -1.204905   -1.060331   -1.900106
     62          1           0       -1.671948   -1.779812   -0.526456
     63          6           0        2.987185   -2.523293   -1.575423
     64          8           0        2.289401   -1.472521   -1.703792
     65          7           0        2.442134   -3.713629   -1.180636
     66          6           0        1.004495   -3.899674   -0.968643
     67          6           0        0.524595   -3.436733    0.414602
     68          8           0        0.987375   -2.364489    0.930354
     69          7           0       -0.449307   -4.173192    0.989510
     70          1           0        0.453198   -3.263488   -1.672964
     71          1           0        0.749463   -4.948263   -1.155192
     72          1           0        3.055451   -4.509592   -1.053239
     73          1           0       -0.803517   -4.978921    0.484194
     74          6           0       -1.215435   -3.739446    2.174195
     75          1           0       -1.378092   -4.592606    2.840745
     76          1           0       -0.641471   -2.972294    2.697847
     77          1           0       -2.173096   -3.316808    1.848188
     78          6           0        4.474546   -2.520966   -1.878935
     79          1           0        4.622285   -2.341506   -2.950487
     80          1           0        4.949217   -1.695907   -1.338356
     81          1           0        4.971763   -3.459307   -1.612470
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968876      0.0726865      0.0659565
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4910.6965598917 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33673 LenP2D=  122039.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000208   -0.000249   -0.000141 Ang=   0.04 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581359     A.U. after    8 cycles
            NFock=  8  Conv=0.81D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33673 LenP2D=  122039.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000003557    0.000050070    0.000007518
      3        6          -0.000024422    0.000020345    0.000018268
      4        6           0.000106416   -0.000034670   -0.000021056
      5        7          -0.000025685    0.000020337   -0.000003673
      6        6           0.000026132   -0.000024947    0.000015211
      7        7          -0.000081022    0.000005690    0.000039870
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000006200   -0.000004611    0.000019097
     10        6           0.000032365   -0.000012483   -0.000004405
     11        6          -0.000123334    0.000055253    0.000049437
     12        8          -0.000008863   -0.000027873   -0.000007219
     13        8           0.000240011    0.000115703   -0.000036517
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000006928    0.000020862    0.000017880
     16        6          -0.000040065   -0.000040610   -0.000020209
     17        6          -0.000001158    0.000015089    0.000031947
     18        7           0.000038000    0.000008393    0.000020022
     19        6          -0.000059033   -0.000036896    0.000037339
     20        7          -0.000003913    0.000013482   -0.000097788
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000004554    0.000003251   -0.000002968
     23        6           0.000025263   -0.000003183    0.000034116
     24        6          -0.000040957    0.000009054   -0.000054711
     25        7           0.000008283   -0.000003671   -0.000003330
     26        6          -0.000007854    0.000026308   -0.000014425
     27        7           0.000053943   -0.000062266    0.000001319
     28       30          -0.000003431    0.000020411    0.000006411
     29        1          -0.000009767   -0.000011478   -0.000009747
     30        1          -0.000010970    0.000014247    0.000020340
     31        1           0.000012463    0.000030903   -0.000013561
     32        1          -0.000016851   -0.000035677    0.000014811
     33        1           0.000026999   -0.000019765   -0.000039332
     34        1          -0.000000290    0.000028442    0.000003231
     35        1          -0.000003790   -0.000018195   -0.000015671
     36        1           0.000000409   -0.000007586   -0.000002787
     37        1           0.000004639   -0.000004096    0.000002339
     38        1           0.000011337   -0.000008508   -0.000008844
     39        1           0.000010449   -0.000010062    0.000005769
     40        1           0.000000246    0.000002686   -0.000001001
     41        1          -0.000000517   -0.000000771   -0.000004198
     42        1           0.000002653    0.000009245   -0.000001252
     43        1          -0.000004175   -0.000006538    0.000000750
     44        1          -0.000000151    0.000009551   -0.000002746
     45        1          -0.000004271    0.000001366   -0.000003871
     46        1           0.000007097    0.000007084   -0.000011339
     47        1           0.000005231    0.000006706   -0.000004688
     48        1           0.000003918    0.000000585   -0.000018360
     49        1          -0.000003438   -0.000013668    0.000016664
     50        1           0.000000931    0.000013278   -0.000006780
     51        1           0.000000928   -0.000010396    0.000006272
     52        1           0.000001706    0.000001984    0.000004147
     53        1           0.000014099   -0.000006811    0.000005325
     54        1           0.000007349    0.000005955   -0.000000716
     55        1          -0.000002179   -0.000002111   -0.000001347
     56        1          -0.000000552    0.000004880   -0.000003484
     57        1           0.000016871    0.000006224    0.000010703
     58        1          -0.000000106   -0.000003043   -0.000000111
     59        1           0.000001494   -0.000000558    0.000010241
     60        8          -0.000023487   -0.000044594   -0.000083075
     61        1           0.000059954    0.000078949    0.000026133
     62        1          -0.000197463   -0.000189229    0.000047339
     63        6           0.000006557    0.000149062    0.000069496
     64        8           0.000098852   -0.000050470   -0.000012684
     65        7           0.000033475   -0.000094903   -0.000052430
     66        6          -0.000030460    0.000030799   -0.000000464
     67        6           0.000045898   -0.000056506    0.000040278
     68        8          -0.000068870    0.000097406   -0.000018282
     69        7           0.000018355   -0.000002006    0.000030656
     70        1           0.000000996    0.000001292   -0.000001167
     71        1          -0.000001897    0.000003090   -0.000000709
     72        1          -0.000005470   -0.000007852    0.000016589
     73        1           0.000001606    0.000002285    0.000000469
     74        6          -0.000054739   -0.000030271   -0.000029898
     75        1           0.000019634    0.000013961   -0.000000766
     76        1           0.000002762    0.000002209   -0.000008218
     77        1           0.000008897    0.000028823   -0.000006190
     78        6          -0.000050270   -0.000028464    0.000003537
     79        1           0.000014554    0.000005261   -0.000002119
     80        1           0.000003120    0.000005850   -0.000002498
     81        1           0.000000977   -0.000005399   -0.000001576
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000240011 RMS     0.000038387

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000209230 RMS     0.000018228
 Search for a local minimum.
 Step number  41 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41
 DE= -1.69D-06 DEPred=-1.16D-06 R= 1.45D+00
 TightC=F SS=  1.41D+00  RLast= 2.54D-02 DXNew= 5.0454D+00 7.6078D-02
 Trust test= 1.45D+00 RLast= 2.54D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1
 ITU=  0
     Eigenvalues ---    0.00078   0.00102   0.00182   0.00199   0.00230
     Eigenvalues ---    0.00231   0.00233   0.00240   0.00301   0.00392
     Eigenvalues ---    0.00517   0.00534   0.00575   0.00647   0.00682
     Eigenvalues ---    0.00720   0.00796   0.00827   0.00906   0.00959
     Eigenvalues ---    0.01168   0.01226   0.01280   0.01375   0.01416
     Eigenvalues ---    0.01516   0.01608   0.01730   0.01759   0.01803
     Eigenvalues ---    0.01806   0.01877   0.01915   0.01937   0.02026
     Eigenvalues ---    0.02046   0.02108   0.02255   0.02273   0.02303
     Eigenvalues ---    0.02363   0.02428   0.02439   0.02679   0.03019
     Eigenvalues ---    0.03062   0.03453   0.03715   0.03931   0.04019
     Eigenvalues ---    0.04090   0.04119   0.04273   0.04308   0.04476
     Eigenvalues ---    0.04796   0.04839   0.04898   0.05210   0.05311
     Eigenvalues ---    0.05368   0.05382   0.05391   0.05398   0.05449
     Eigenvalues ---    0.05455   0.05509   0.05511   0.05529   0.05543
     Eigenvalues ---    0.05693   0.06153   0.06216   0.06834   0.06960
     Eigenvalues ---    0.07327   0.07476   0.07667   0.07844   0.08296
     Eigenvalues ---    0.08505   0.08682   0.09186   0.09327   0.09478
     Eigenvalues ---    0.09683   0.10020   0.10291   0.10490   0.10909
     Eigenvalues ---    0.12003   0.12207   0.12500   0.12839   0.12945
     Eigenvalues ---    0.13022   0.13356   0.14111   0.14544   0.14935
     Eigenvalues ---    0.15322   0.15806   0.15851   0.15908   0.15965
     Eigenvalues ---    0.15978   0.15983   0.15990   0.15994   0.15996
     Eigenvalues ---    0.15999   0.16001   0.16002   0.16004   0.16006
     Eigenvalues ---    0.16008   0.16012   0.16018   0.16024   0.16043
     Eigenvalues ---    0.16048   0.16053   0.16061   0.16094   0.16127
     Eigenvalues ---    0.16183   0.16272   0.16323   0.16365   0.16454
     Eigenvalues ---    0.16499   0.18057   0.20382   0.20681   0.21121
     Eigenvalues ---    0.21649   0.22299   0.22397   0.22541   0.22779
     Eigenvalues ---    0.22941   0.23063   0.23201   0.23612   0.23884
     Eigenvalues ---    0.24050   0.24299   0.24399   0.24798   0.25094
     Eigenvalues ---    0.25283   0.26495   0.27419   0.27683   0.28137
     Eigenvalues ---    0.28230   0.28383   0.28766   0.29619   0.30418
     Eigenvalues ---    0.30834   0.31200   0.31536   0.31765   0.31973
     Eigenvalues ---    0.33512   0.33620   0.33633   0.33662   0.33671
     Eigenvalues ---    0.33767   0.33802   0.33860   0.33884   0.33912
     Eigenvalues ---    0.33921   0.33937   0.33984   0.34001   0.34008
     Eigenvalues ---    0.34032   0.34060   0.34081   0.34090   0.34132
     Eigenvalues ---    0.34161   0.34180   0.34188   0.34199   0.34246
     Eigenvalues ---    0.34302   0.34338   0.34387   0.34697   0.35366
     Eigenvalues ---    0.35605   0.35764   0.36157   0.36239   0.36342
     Eigenvalues ---    0.36505   0.36547   0.37890   0.39085   0.39348
     Eigenvalues ---    0.39651   0.42291   0.42391   0.42770   0.43309
     Eigenvalues ---    0.45306   0.45337   0.45470   0.45565   0.45583
     Eigenvalues ---    0.45613   0.45660   0.46433   0.48780   0.49219
     Eigenvalues ---    0.49449   0.49818   0.50660   0.52576   0.54478
     Eigenvalues ---    0.54856   0.55082   0.56475   0.65866   0.73277
     Eigenvalues ---    0.766141000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    41   40   39   38   37
 RFO step:  Lambda=-3.52055580D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.12485    0.46468   -0.80245    0.04283    0.17009
 Iteration  1 RMS(Cart)=  0.00175940 RMS(Int)=  0.00000213
 Iteration  2 RMS(Cart)=  0.00000253 RMS(Int)=  0.00000113
 Iteration  3 RMS(Cart)=  0.00000002 RMS(Int)=  0.00000113
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00001   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00002   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00003   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00002   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00001   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00003   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00002   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00003   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00000   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93043  -0.00002  -0.00009   0.00000  -0.00009   2.93034
    R2        2.07167  -0.00002   0.00002  -0.00002  -0.00001   2.07166
    R3        2.07048  -0.00003  -0.00008  -0.00001  -0.00009   2.07039
    R4        2.07673  -0.00004  -0.00007  -0.00004  -0.00011   2.07662
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   A147       1.90499  -0.00001   0.00000   0.00005   0.00004   1.90504
   A148       1.91095   0.00001   0.00003   0.00003   0.00006   1.91101
   A149       1.93014  -0.00002   0.00003  -0.00007  -0.00004   1.93010
   A150       1.90808   0.00001  -0.00005  -0.00007  -0.00012   1.90796
   A151       1.90463  -0.00002   0.00008  -0.00016  -0.00008   1.90454
   A152       1.90423   0.00000  -0.00002   0.00004   0.00002   1.90425
   A153       1.97686   0.00001   0.00001   0.00005   0.00005   1.97691
   A154       1.87635   0.00001  -0.00004   0.00003  -0.00001   1.87634
   A155       1.89329   0.00001   0.00002   0.00002   0.00004   1.89333
   A156       1.90589   0.00000  -0.00004   0.00002  -0.00002   1.90587
    D1        3.11070  -0.00001   0.00002  -0.00007  -0.00005   3.11065
    D2        1.00645   0.00000   0.00001   0.00001   0.00001   1.00646
    D3       -1.01935   0.00000   0.00002  -0.00007  -0.00005  -1.01940
    D4        1.02013   0.00000  -0.00003  -0.00002  -0.00005   1.02008
    D5       -1.08412   0.00000  -0.00003   0.00005   0.00001  -1.08411
    D6       -3.10992   0.00000  -0.00002  -0.00002  -0.00005  -3.10997
    D7       -1.08887   0.00000   0.00007  -0.00006   0.00001  -1.08886
    D8        3.09006   0.00000   0.00006   0.00001   0.00007   3.09014
    D9        1.06426   0.00000   0.00007  -0.00006   0.00001   1.06427
   D10       -2.12108   0.00001   0.00152  -0.00020   0.00132  -2.11976
   D11        1.02243   0.00000   0.00117  -0.00062   0.00055   1.02298
   D12       -0.00052   0.00000   0.00154  -0.00026   0.00128   0.00076
   D13       -3.14019  -0.00001   0.00119  -0.00068   0.00051  -3.13968
   D14        2.01607   0.00001   0.00156  -0.00015   0.00141   2.01747
   D15       -1.12361   0.00000   0.00121  -0.00057   0.00064  -1.12297
   D16       -3.13855   0.00000  -0.00037  -0.00035  -0.00072  -3.13928
   D17        0.01858  -0.00001  -0.00029  -0.00070  -0.00099   0.01758
   D18        0.00138   0.00001  -0.00007   0.00001  -0.00006   0.00132
   D19       -3.12468   0.00000   0.00001  -0.00034  -0.00033  -3.12501
   D20        3.13892   0.00001   0.00035   0.00028   0.00063   3.13955
   D21       -0.01477   0.00000   0.00011   0.00015   0.00026  -0.01451
   D22       -0.00120   0.00000   0.00009  -0.00004   0.00004  -0.00116
   D23        3.12830  -0.00001  -0.00016  -0.00017  -0.00033   3.12797
   D24       -0.00105  -0.00001   0.00003   0.00002   0.00006  -0.00099
   D25        3.10544   0.00000  -0.00017   0.00045   0.00028   3.10572
   D26        3.12626   0.00000  -0.00004   0.00034   0.00030   3.12656
   D27       -0.05043   0.00001  -0.00024   0.00077   0.00053  -0.04991
   D28        0.00060  -0.00001  -0.00007   0.00006  -0.00001   0.00059
   D29       -3.13580  -0.00001   0.00040  -0.00021   0.00019  -3.13561
   D30       -3.12886   0.00000   0.00017   0.00019   0.00036  -3.12849
   D31        0.01793   0.00000   0.00065  -0.00008   0.00056   0.01849
   D32        0.00026   0.00001   0.00002  -0.00005  -0.00003   0.00024
   D33       -3.10653   0.00000   0.00024  -0.00047  -0.00023  -3.10676
   D34        3.13653   0.00001  -0.00046   0.00023  -0.00023   3.13630
   D35        0.02974   0.00000  -0.00025  -0.00019  -0.00044   0.02930
   D36        1.95213   0.00000  -0.00048  -0.00059  -0.00106   1.95107
   D37       -2.60899  -0.00002  -0.00044  -0.00046  -0.00091  -2.60989
   D38        0.32231  -0.00002  -0.00062  -0.00066  -0.00128   0.32103
   D39       -2.33846  -0.00001   0.00108   0.00212   0.00320  -2.33526
   D40       -1.12207   0.00001  -0.00029  -0.00051  -0.00080  -1.12287
   D41       -1.23130   0.00002  -0.00073  -0.00008  -0.00080  -1.23210
   D42        0.49077  -0.00001  -0.00069   0.00004  -0.00065   0.49012
   D43       -2.86113  -0.00001  -0.00087  -0.00015  -0.00102  -2.86215
   D44        0.76129   0.00000   0.00083   0.00262   0.00346   0.76475
   D45        1.97768   0.00002  -0.00054   0.00000  -0.00054   1.97714
   D46        1.06304   0.00000   0.00023  -0.00019   0.00004   1.06307
   D47       -3.09802   0.00000   0.00021  -0.00021   0.00000  -3.09802
   D48       -1.04510   0.00000   0.00010  -0.00018  -0.00008  -1.04517
   D49       -1.03585  -0.00001   0.00045  -0.00033   0.00012  -1.03573
   D50        1.08628   0.00000   0.00044  -0.00035   0.00008   1.08636
   D51        3.13920  -0.00001   0.00033  -0.00033   0.00001   3.13921
   D52       -3.12588   0.00000   0.00028  -0.00020   0.00008  -3.12580
   D53       -1.00376   0.00000   0.00026  -0.00022   0.00005  -1.00371
   D54        1.04917   0.00000   0.00016  -0.00019  -0.00003   1.04914
   D55       -1.08476   0.00000  -0.00013  -0.00019  -0.00032  -1.08508
   D56        1.04089   0.00000  -0.00018  -0.00012  -0.00030   1.04059
   D57        3.11703   0.00000  -0.00015  -0.00007  -0.00022   3.11681
   D58        3.06957   0.00000  -0.00022  -0.00018  -0.00039   3.06917
   D59       -1.08797   0.00000  -0.00027  -0.00010  -0.00037  -1.08834
   D60        0.98818   0.00000  -0.00024  -0.00006  -0.00029   0.98788
   D61        1.03528   0.00000  -0.00006  -0.00013  -0.00019   1.03509
   D62       -3.12226   0.00000  -0.00011  -0.00006  -0.00017  -3.12243
   D63       -1.04611   0.00000  -0.00009  -0.00001  -0.00009  -1.04620
   D64       -0.87444   0.00000  -0.00117  -0.00097  -0.00213  -0.87657
   D65        2.23083  -0.00001  -0.00131  -0.00118  -0.00248   2.22835
   D66       -3.02183   0.00000  -0.00112  -0.00100  -0.00212  -3.02395
   D67        0.08344  -0.00001  -0.00125  -0.00121  -0.00246   0.08098
   D68        1.21654   0.00000  -0.00127  -0.00109  -0.00236   1.21417
   D69       -1.96138  -0.00001  -0.00141  -0.00131  -0.00271  -1.96409
   D70        2.98444  -0.00001  -0.00094   0.00032  -0.00062   2.98382
   D71       -0.11877   0.00000  -0.00080   0.00054  -0.00026  -0.11903
   D72       -2.99468   0.00001   0.00048  -0.00011   0.00037  -2.99431
   D73        0.10992   0.00000   0.00035  -0.00034   0.00001   0.10993
   D74        0.00499  -0.00001   0.00176  -0.00051   0.00126   0.00625
   D75        0.24852   0.00000  -0.00123  -0.00187  -0.00310   0.24542
   D76       -1.04701   0.00000  -0.00030   0.00015  -0.00016  -1.04716
   D77        1.07563   0.00000  -0.00035   0.00013  -0.00022   1.07541
   D78        3.09877  -0.00001  -0.00025   0.00000  -0.00026   3.09852
   D79       -3.13576   0.00001  -0.00017   0.00016  -0.00001  -3.13578
   D80       -1.01313   0.00000  -0.00022   0.00014  -0.00008  -1.01321
   D81        1.01002   0.00000  -0.00012   0.00001  -0.00011   1.00990
   D82        1.06193   0.00000  -0.00025   0.00013  -0.00012   1.06181
   D83       -3.09861   0.00000  -0.00030   0.00011  -0.00019  -3.09880
   D84       -1.07547  -0.00001  -0.00020  -0.00002  -0.00022  -1.07569
   D85       -0.10030   0.00001   0.00108   0.00148   0.00256  -0.09773
   D86        3.02177   0.00000   0.00152   0.00091   0.00243   3.02420
   D87       -2.22128   0.00001   0.00120   0.00148   0.00268  -2.21860
   D88        0.90079   0.00000   0.00164   0.00090   0.00254   0.90333
   D89        2.03396   0.00002   0.00116   0.00156   0.00272   2.03668
   D90       -1.12716   0.00001   0.00160   0.00099   0.00259  -1.12457
   D91        3.12033  -0.00002   0.00033  -0.00080  -0.00047   3.11986
   D92        0.01782  -0.00001   0.00024  -0.00062  -0.00038   0.01743
   D93       -0.00423  -0.00001  -0.00005  -0.00030  -0.00035  -0.00458
   D94       -3.10674   0.00000  -0.00014  -0.00012  -0.00026  -3.10700
   D95       -3.12010   0.00000  -0.00042   0.00046   0.00004  -3.12005
   D96       -0.00934   0.00000  -0.00067   0.00037  -0.00030  -0.00965
   D97        0.00673   0.00000  -0.00009   0.00003  -0.00006   0.00667
   D98        3.11748   0.00000  -0.00034  -0.00006  -0.00041   3.11708
   D99        0.00018   0.00003   0.00018   0.00046   0.00064   0.00081
   D100      -2.91122   0.00001   0.00050   0.00017   0.00067  -2.91055
   D101       3.10605   0.00002   0.00026   0.00030   0.00056   3.10661
   D102       0.19466   0.00000   0.00058   0.00001   0.00059   0.19525
   D103      -0.00698   0.00002   0.00021   0.00026   0.00047  -0.00651
   D104       3.09513   0.00000   0.00017   0.00000   0.00017   3.09529
   D105      -3.11765   0.00002   0.00046   0.00035   0.00082  -3.11684
   D106      -0.01554   0.00000   0.00042   0.00009   0.00051  -0.01503
   D107       0.00417  -0.00003  -0.00023  -0.00044  -0.00067   0.00350
   D108       2.91616  -0.00002  -0.00052  -0.00010  -0.00061   2.91555
   D109      -3.09817  -0.00001  -0.00020  -0.00018  -0.00037  -3.09854
   D110      -0.18617   0.00000  -0.00048   0.00017  -0.00031  -0.18648
   D111      -0.47328   0.00000  -0.00127   0.00052  -0.00075  -0.47403
   D112      -2.05623   0.00001  -0.00103   0.00052  -0.00051  -2.05673
   D113       1.22118   0.00001  -0.00143   0.00054  -0.00089   1.22029
   D114       2.79454  -0.00001  -0.00133   0.00040  -0.00093   2.79361
   D115       2.38876   0.00001  -0.00181   0.00042  -0.00140   2.38736
   D116       2.94130  -0.00001  -0.00091   0.00014  -0.00078   2.94052
   D117       1.35835   0.00000  -0.00068   0.00014  -0.00053   1.35782
   D118      -1.64743   0.00000  -0.00107   0.00016  -0.00091  -1.64834
   D119      -0.07407  -0.00002  -0.00097   0.00002  -0.00096  -0.07502
   D120      -0.47985   0.00000  -0.00146   0.00004  -0.00142  -0.48127
   D121      -1.05701   0.00000  -0.00009   0.00006  -0.00003  -1.05704
   D122       3.10078   0.00000  -0.00011   0.00007  -0.00004   3.10073
   D123       1.07664   0.00000  -0.00010   0.00004  -0.00006   1.07659
   D124       1.05150   0.00000  -0.00007   0.00007   0.00001   1.05150
   D125      -1.07390   0.00000  -0.00009   0.00008  -0.00001  -1.07391
   D126      -3.09803   0.00000  -0.00008   0.00005  -0.00003  -3.09806
   D127      -3.13888   0.00000  -0.00004   0.00004   0.00000  -3.13888
   D128       1.01891   0.00000  -0.00007   0.00005  -0.00002   1.01889
   D129      -1.00522   0.00000  -0.00005   0.00002  -0.00003  -1.00525
   D130       0.36959   0.00000  -0.00063  -0.00028  -0.00091   0.36868
   D131      -2.76339  -0.00001  -0.00044  -0.00038  -0.00083  -2.76422
   D132       2.49247   0.00000  -0.00064  -0.00028  -0.00092   2.49155
   D133      -0.64051   0.00000  -0.00045  -0.00038  -0.00083  -0.64135
   D134      -1.75647   0.00000  -0.00058  -0.00031  -0.00089  -1.75736
   D135       1.39373  -0.00001  -0.00039  -0.00041  -0.00080   1.39293
   D136      -3.12698   0.00000   0.00014   0.00004   0.00018  -3.12680
   D137       0.01346  -0.00001   0.00009  -0.00023  -0.00014   0.01332
   D138       0.00719   0.00000  -0.00002   0.00013   0.00011   0.00730
   D139      -3.13556  -0.00001  -0.00007  -0.00014  -0.00021  -3.13577
   D140       3.12767   0.00001  -0.00003   0.00010   0.00007   3.12774
   D141       0.00239   0.00000  -0.00035   0.00015  -0.00020   0.00219
   D142      -0.00730   0.00000   0.00011   0.00002   0.00013  -0.00717
   D143      -3.13258   0.00000  -0.00021   0.00007  -0.00013  -3.13272
   D144      -0.00446  -0.00001  -0.00009  -0.00023  -0.00032  -0.00478
   D145       2.96011  -0.00001   0.00040  -0.00017   0.00023   2.96034
   D146       3.13818   0.00000  -0.00004   0.00001  -0.00002   3.13815
   D147      -0.18043   0.00000   0.00045   0.00007   0.00052  -0.17991
   D148       0.00487   0.00000  -0.00017  -0.00017  -0.00034   0.00453
   D149      -3.11299   0.00000   0.00004   0.00016   0.00020  -3.11279
   D150       3.13013   0.00000   0.00015  -0.00022  -0.00007   3.13005
   D151       0.01227   0.00001   0.00036   0.00011   0.00047   0.01274
   D152      -0.00030   0.00001   0.00016   0.00024   0.00040   0.00010
   D153      -2.96752   0.00000  -0.00032   0.00016  -0.00016  -2.96769
   D154       3.11775   0.00000  -0.00005  -0.00008  -0.00014   3.11761
   D155       0.15052  -0.00001  -0.00053  -0.00017  -0.00070   0.14982
   D156      -1.44094  -0.00001  -0.00010  -0.00036  -0.00046  -1.44141
   D157       0.27274   0.00000  -0.00004   0.00000  -0.00003   0.27270
   D158       2.79565  -0.00001   0.00193   0.00029   0.00222   2.79787
   D159       1.73768  -0.00001   0.00011   0.00000   0.00010   1.73778
   D160      -3.10622  -0.00002  -0.00019  -0.00019  -0.00038  -3.10660
   D161       1.49200   0.00000   0.00047  -0.00027   0.00020   1.49220
   D162      -3.07751   0.00001   0.00054   0.00010   0.00063  -3.07688
   D163      -0.55459   0.00000   0.00251   0.00038   0.00288  -0.55170
   D164      -1.61256  -0.00001   0.00068   0.00009   0.00077  -1.61179
   D165      -0.17327  -0.00001   0.00038  -0.00010   0.00028  -0.17299
   D166       1.75232   0.00000   0.00021   0.00060   0.00082   1.75314
   D167      -0.57853   0.00000   0.00002   0.00104   0.00105  -0.57747
   D168       0.03283  -0.00002   0.00010   0.00023   0.00033   0.03316
   D169      -2.29801  -0.00002  -0.00009   0.00066   0.00057  -2.29745
   D170      -2.49757   0.00000  -0.00184  -0.00006  -0.00191  -2.49948
   D171       1.45477   0.00000  -0.00204   0.00037  -0.00167   1.45310
   D172      -1.45290   0.00000  -0.00001   0.00025   0.00024  -1.45267
   D173       2.49943   0.00000  -0.00021   0.00068   0.00047   2.49991
   D174      -2.88124   0.00000   0.00027   0.00041   0.00068  -2.88055
   D175       1.07110   0.00000   0.00008   0.00084   0.00092   1.07202
   D176       1.02641   0.00000  -0.00115  -0.00271  -0.00386   1.02255
   D177       3.03338  -0.00002   0.00040   0.00001   0.00041   3.03379
   D178       1.29905   0.00001   0.00038  -0.00011   0.00027   1.29931
   D179      -1.63787   0.00001   0.00055   0.00004   0.00060  -1.63727
   D180      -0.20523  -0.00002   0.00020  -0.00007   0.00013  -0.20509
   D181       2.09122   0.00000  -0.00044  -0.00043  -0.00086   2.09036
   D182      -0.77250  -0.00001   0.00011  -0.00035  -0.00024  -0.77274
   D183      -2.63851   0.00000  -0.00068  -0.00049  -0.00118  -2.63969
   D184       0.41536   0.00000  -0.00021  -0.00044  -0.00065   0.41471
   D185      -1.18096   0.00001  -0.00041  -0.00034  -0.00075  -1.18171
   D186      -2.39481   0.00002  -0.00172   0.00036  -0.00136  -2.39616
   D187       0.09482   0.00001  -0.00140   0.00004  -0.00136   0.09346
   D188       2.09085   0.00003   0.00233   0.00188   0.00421   2.09506
   D189      -0.36013   0.00000   0.00221   0.00198   0.00419  -0.35595
   D190       0.89781   0.00002   0.00010   0.00026   0.00036   0.89816
   D191      -2.26234   0.00002  -0.00008   0.00045   0.00037  -2.26197
   D192       0.07951  -0.00001  -0.00014  -0.00015  -0.00029   0.07922
   D193      -3.09216   0.00000  -0.00007   0.00033   0.00026  -3.09190
   D194      -3.04431   0.00000   0.00003  -0.00034  -0.00031  -3.04461
   D195       0.06720   0.00001   0.00010   0.00015   0.00025   0.06745
   D196      -1.15015   0.00000   0.00050   0.00014   0.00064  -1.14951
   D197       0.89536   0.00000   0.00048   0.00011   0.00059   0.89595
   D198       3.02211   0.00001   0.00041   0.00021   0.00062   3.02272
   D199       1.97385   0.00000   0.00033   0.00033   0.00066   1.97451
   D200      -2.26383  -0.00001   0.00031   0.00030   0.00061  -2.26322
   D201      -0.13708   0.00000   0.00024   0.00039   0.00063  -0.13645
   D202      -1.44774   0.00000   0.00006   0.00029   0.00035  -1.44739
   D203       0.57234   0.00000  -0.00008   0.00036   0.00028   0.57261
   D204       2.65136   0.00000  -0.00007   0.00035   0.00028   2.65164
   D205       1.72389   0.00000  -0.00001  -0.00019  -0.00020   1.72368
   D206      -2.53922  -0.00001  -0.00015  -0.00012  -0.00028  -2.53950
   D207      -0.46020  -0.00001  -0.00014  -0.00014  -0.00027  -0.46048
   D208       0.70211  -0.00003  -0.00038  -0.00086  -0.00124   0.70087
   D209      -2.50755  -0.00001  -0.00037  -0.00075  -0.00112  -2.50867
   D210      -1.36679  -0.00002  -0.00024  -0.00090  -0.00114  -1.36793
   D211       1.70673   0.00000  -0.00023  -0.00079  -0.00102   1.70571
   D212       2.86089  -0.00002  -0.00036  -0.00088  -0.00124   2.85965
   D213      -0.34877   0.00000  -0.00036  -0.00077  -0.00112  -0.34989
   D214       1.00610   0.00000   0.00031   0.00078   0.00109   1.00720
   D215      -2.06261  -0.00002   0.00031   0.00067   0.00098  -2.06163
   D216       0.00097   0.00000  -0.00097   0.00034  -0.00062   0.00035
   D217      -2.92191   0.00000   0.00023  -0.00020   0.00002  -2.92189
   D218       3.07228   0.00001  -0.00097   0.00045  -0.00051   3.07176
   D219       0.14940   0.00001   0.00023  -0.00010   0.00013   0.14953
   D220      -2.45356  -0.00001   0.00150   0.00201   0.00351  -2.45005
   D221      -0.36607   0.00001   0.00153   0.00209   0.00361  -0.36246
   D222       1.71251   0.00002   0.00141   0.00202   0.00343   1.71594
   D223       0.90399  -0.00001   0.00268   0.00146   0.00414   0.90813
   D224       2.99148   0.00000   0.00271   0.00154   0.00425   2.99572
   D225      -1.21312   0.00002   0.00260   0.00147   0.00406  -1.20906
         Item               Value     Threshold  Converged?
 Maximum Force            0.000208     0.000450     YES
 RMS     Force            0.000018     0.000300     YES
 Maximum Displacement     0.009711     0.001800     NO 
 RMS     Displacement     0.001760     0.001200     NO 
 Predicted change in Energy=-7.487064D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.072068    2.546167    3.554119
      2          6           0       -3.330987    1.187618    3.652673
      3          6           0       -2.082524    1.114982    2.817686
      4          6           0       -1.697903    0.261236    1.794570
      5          7           0       -1.004993    2.002048    2.973980
      6          6           0       -0.027481    1.668661    2.068863
      7          7           0       -0.415781    0.614810    1.336084
      8          6           0       -5.230287    0.899323    0.143925
      9          6           0       -5.873322   -0.176167   -0.759036
     10          6           0       -5.242316   -1.577852   -0.570721
     11          6           0       -3.763774   -1.575070   -0.949859
     12          8           0       -3.378687   -1.090156   -2.064197
     13          8           0       -2.906919   -2.060695   -0.045377
     14          6           0       -2.266449    4.232797   -2.991052
     15          6           0       -0.987975    3.840806   -3.761203
     16          6           0       -0.189375    2.762254   -3.077224
     17          6           0       -0.318030    2.123381   -1.853401
     18          7           0        0.932972    2.162374   -3.674474
     19          6           0        1.430359    1.202865   -2.827182
     20          7           0        0.692499    1.156986   -1.709529
     21          6           0        4.686121    4.004937    1.481893
     22          6           0        5.163216    2.626788    1.989691
     23          6           0        4.194631    1.526847    1.646732
     24          6           0        3.201702    1.434005    0.681840
     25          7           0        4.139607    0.302396    2.331764
     26          6           0        3.139160   -0.468772    1.784522
     27          7           0        2.554425    0.194875    0.781664
     28         30           0        0.757822   -0.394989   -0.220180
     29          1           0       -4.986476    2.523943    4.158419
     30          1           0       -4.352394    2.763913    2.517612
     31          1           0       -3.455223    3.377196    3.923537
     32          1           0       -3.998958    0.384038    3.324531
     33          1           0       -3.091348    0.980836    4.706707
     34          1           0       -2.251139   -0.558056    1.357993
     35          1           0       -0.963464    2.765932    3.635930
     36          1           0        0.911818    2.189048    1.980469
     37          1           0       -4.161948    1.011313   -0.080714
     38          1           0       -5.332471    0.631118    1.205190
     39          1           0       -5.713336    1.874408   -0.005441
     40          1           0       -6.950228   -0.239201   -0.547577
     41          1           0       -5.761376    0.113776   -1.811056
     42          1           0       -5.345630   -1.923347    0.464261
     43          1           0       -5.761552   -2.295909   -1.221246
     44          1           0       -2.935230    3.372009   -2.874295
     45          1           0       -2.809837    5.013804   -3.534299
     46          1           0       -2.026709    4.622701   -1.993747
     47          1           0       -1.268686    3.497608   -4.768279
     48          1           0       -0.359333    4.733676   -3.900314
     49          1           0       -1.070440    2.264546   -1.095914
     50          1           0        1.296270    2.383014   -4.593108
     51          1           0        2.263929    0.554706   -3.041373
     52          1           0        4.577182    4.010932    0.390569
     53          1           0        3.721376    4.278408    1.925793
     54          1           0        5.414090    4.780241    1.745496
     55          1           0        5.301731    2.668910    3.080042
     56          1           0        6.151417    2.404925    1.560441
     57          1           0        2.911749    2.157343   -0.062055
     58          1           0        4.729608    0.037337    3.110445
     59          1           0        2.849862   -1.449771    2.123984
     60          8           0       -0.790273   -1.394072   -1.071146
     61          1           0       -1.205966   -1.060440   -1.898117
     62          1           0       -1.672225   -1.778621   -0.523915
     63          6           0        2.985371   -2.524074   -1.576017
     64          8           0        2.288092   -1.472900   -1.704050
     65          7           0        2.440098   -3.714245   -1.181353
     66          6           0        1.002560   -3.900086   -0.968580
     67          6           0        0.523668   -3.437034    0.414963
     68          8           0        0.988073   -2.365602    0.930830
     69          7           0       -0.450962   -4.172564    0.989927
     70          1           0        0.451003   -3.263743   -1.672564
     71          1           0        0.747268   -4.948618   -1.155068
     72          1           0        3.053327   -4.510296   -1.054103
     73          1           0       -0.806632   -4.977366    0.484146
     74          6           0       -1.216217   -3.738342    2.174950
     75          1           0       -1.376680   -4.590688    2.843091
     76          1           0       -0.642801   -2.969418    2.696569
     77          1           0       -2.174972   -3.317680    1.849630
     78          6           0        4.472708   -2.522198   -1.879923
     79          1           0        4.620162   -2.341903   -2.951361
     80          1           0        4.947926   -1.697788   -1.338818
     81          1           0        4.969599   -3.460964   -1.614374
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968804      0.0726858      0.0659673
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4910.7343345475 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122044.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000061   -0.000126    0.000094 Ang=   0.02 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581471     A.U. after    8 cycles
            NFock=  8  Conv=0.59D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122044.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000014298    0.000027466    0.000006876
      3        6          -0.000030500    0.000002975    0.000006563
      4        6           0.000070077   -0.000050053   -0.000025303
      5        7           0.000010379    0.000015498    0.000020569
      6        6          -0.000019251   -0.000025138   -0.000028720
      7        7          -0.000029542    0.000061678    0.000051497
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000002895   -0.000009420   -0.000004705
     10        6           0.000035812    0.000003234   -0.000025673
     11        6          -0.000068276   -0.000000866    0.000039430
     12        8           0.000008521   -0.000033701   -0.000020873
     13        8           0.000172292    0.000146167    0.000009138
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000002281    0.000026511    0.000006677
     16        6          -0.000045346   -0.000050206   -0.000012540
     17        6          -0.000001350    0.000064964    0.000005711
     18        7           0.000044106   -0.000016724    0.000020952
     19        6          -0.000005304    0.000012992    0.000001659
     20        7          -0.000047349   -0.000042200   -0.000028092
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000005894   -0.000002140   -0.000001703
     23        6           0.000045004   -0.000018564    0.000022757
     24        6          -0.000024078    0.000006312   -0.000026462
     25        7          -0.000025331    0.000015399   -0.000012602
     26        6           0.000044252    0.000009166    0.000022253
     27        7          -0.000031938   -0.000036498   -0.000026369
     28       30           0.000018381    0.000037886   -0.000003459
     29        1          -0.000009080   -0.000008031   -0.000007082
     30        1           0.000004809    0.000002101   -0.000004339
     31        1           0.000002263    0.000001858    0.000005547
     32        1           0.000000233   -0.000008232   -0.000003639
     33        1           0.000005126   -0.000004010   -0.000005886
     34        1           0.000000333    0.000006475   -0.000002874
     35        1          -0.000001716   -0.000009217   -0.000006171
     36        1           0.000008001   -0.000009422   -0.000008881
     37        1           0.000012428   -0.000002634    0.000001872
     38        1           0.000012034   -0.000002872   -0.000001175
     39        1           0.000012631   -0.000010068    0.000003398
     40        1           0.000001812   -0.000002588    0.000010389
     41        1          -0.000007260    0.000005993    0.000001346
     42        1           0.000006257    0.000012196    0.000001430
     43        1          -0.000006338    0.000005559    0.000004210
     44        1           0.000000801    0.000008028    0.000002651
     45        1          -0.000006306   -0.000001747   -0.000004915
     46        1           0.000002407    0.000004782   -0.000003383
     47        1          -0.000000498    0.000007924   -0.000005214
     48        1           0.000004751   -0.000005750   -0.000009691
     49        1           0.000002459   -0.000013028    0.000003557
     50        1          -0.000004829   -0.000003468    0.000001902
     51        1           0.000006346   -0.000000859   -0.000005043
     52        1           0.000002693    0.000000498    0.000003520
     53        1           0.000012361   -0.000005332    0.000005499
     54        1           0.000007958   -0.000001339    0.000000718
     55        1          -0.000003510   -0.000000560   -0.000001393
     56        1          -0.000000339    0.000003267   -0.000001357
     57        1           0.000012816    0.000005488    0.000009792
     58        1          -0.000001104   -0.000006621    0.000000168
     59        1          -0.000007955   -0.000000917    0.000003763
     60        8           0.000023075   -0.000050490   -0.000064906
     61        1           0.000043223    0.000092831    0.000028900
     62        1          -0.000213491   -0.000185247    0.000008008
     63        6          -0.000031365    0.000072755    0.000062700
     64        8           0.000107296   -0.000025579   -0.000002305
     65        7           0.000032146   -0.000041546   -0.000049657
     66        6          -0.000021987    0.000008965   -0.000017999
     67        6           0.000030328   -0.000042668    0.000034246
     68        8          -0.000056086    0.000063762    0.000013664
     69        7           0.000032585   -0.000028982    0.000008481
     70        1          -0.000002855    0.000006152    0.000000610
     71        1           0.000000524    0.000006444    0.000003861
     72        1          -0.000007186   -0.000004075    0.000012098
     73        1          -0.000011894    0.000007116    0.000005901
     74        6          -0.000042332   -0.000016073   -0.000018744
     75        1           0.000013771    0.000011920    0.000002262
     76        1          -0.000002430    0.000005425    0.000000622
     77        1           0.000008318    0.000019005   -0.000011137
     78        6          -0.000032285   -0.000023546    0.000009114
     79        1           0.000009692    0.000003426   -0.000008678
     80        1           0.000007732    0.000008540   -0.000002910
     81        1          -0.000000136   -0.000001285   -0.000002266
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000213491 RMS     0.000032756

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000205350 RMS     0.000015161
 Search for a local minimum.
 Step number  42 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42
 DE= -1.12D-06 DEPred=-7.49D-07 R= 1.50D+00
 TightC=F SS=  1.41D+00  RLast= 1.91D-02 DXNew= 5.0454D+00 5.7393D-02
 Trust test= 1.50D+00 RLast= 1.91D-02 DXMaxT set to 3.00D+00
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0
 ITU=  1  0
     Eigenvalues ---    0.00074   0.00103   0.00164   0.00199   0.00230
     Eigenvalues ---    0.00231   0.00233   0.00240   0.00301   0.00389
     Eigenvalues ---    0.00517   0.00531   0.00550   0.00646   0.00686
     Eigenvalues ---    0.00705   0.00793   0.00829   0.00902   0.00954
     Eigenvalues ---    0.01160   0.01231   0.01310   0.01348   0.01411
     Eigenvalues ---    0.01520   0.01622   0.01717   0.01762   0.01784
     Eigenvalues ---    0.01816   0.01833   0.01917   0.01939   0.02023
     Eigenvalues ---    0.02043   0.02109   0.02267   0.02273   0.02315
     Eigenvalues ---    0.02345   0.02434   0.02471   0.02750   0.03016
     Eigenvalues ---    0.03217   0.03465   0.03729   0.03936   0.03999
     Eigenvalues ---    0.04059   0.04121   0.04252   0.04277   0.04480
     Eigenvalues ---    0.04787   0.04837   0.04933   0.05226   0.05301
     Eigenvalues ---    0.05358   0.05382   0.05391   0.05405   0.05440
     Eigenvalues ---    0.05463   0.05509   0.05511   0.05529   0.05540
     Eigenvalues ---    0.05682   0.06101   0.06294   0.06738   0.06909
     Eigenvalues ---    0.07310   0.07477   0.07652   0.07775   0.08296
     Eigenvalues ---    0.08448   0.08688   0.09193   0.09328   0.09478
     Eigenvalues ---    0.09675   0.10057   0.10324   0.10498   0.10928
     Eigenvalues ---    0.11992   0.12249   0.12479   0.12869   0.12956
     Eigenvalues ---    0.13037   0.13325   0.14002   0.14379   0.14974
     Eigenvalues ---    0.15387   0.15798   0.15833   0.15907   0.15969
     Eigenvalues ---    0.15980   0.15984   0.15990   0.15994   0.15996
     Eigenvalues ---    0.15999   0.16001   0.16002   0.16004   0.16005
     Eigenvalues ---    0.16008   0.16012   0.16019   0.16026   0.16034
     Eigenvalues ---    0.16046   0.16056   0.16065   0.16082   0.16120
     Eigenvalues ---    0.16201   0.16233   0.16313   0.16425   0.16440
     Eigenvalues ---    0.16601   0.18044   0.20348   0.20622   0.21147
     Eigenvalues ---    0.21672   0.22208   0.22378   0.22527   0.22805
     Eigenvalues ---    0.22964   0.23042   0.23207   0.23591   0.23891
     Eigenvalues ---    0.24041   0.24287   0.24485   0.24715   0.25092
     Eigenvalues ---    0.25294   0.26639   0.27512   0.27682   0.28166
     Eigenvalues ---    0.28230   0.28374   0.28866   0.29613   0.30444
     Eigenvalues ---    0.30652   0.30859   0.31537   0.31629   0.31923
     Eigenvalues ---    0.33523   0.33624   0.33634   0.33662   0.33672
     Eigenvalues ---    0.33763   0.33803   0.33859   0.33877   0.33916
     Eigenvalues ---    0.33933   0.33938   0.33984   0.33999   0.34009
     Eigenvalues ---    0.34033   0.34056   0.34083   0.34088   0.34132
     Eigenvalues ---    0.34165   0.34178   0.34184   0.34193   0.34252
     Eigenvalues ---    0.34303   0.34317   0.34457   0.34663   0.35143
     Eigenvalues ---    0.35677   0.35764   0.36168   0.36232   0.36340
     Eigenvalues ---    0.36439   0.36541   0.36749   0.38965   0.39103
     Eigenvalues ---    0.39574   0.42221   0.42383   0.42792   0.43902
     Eigenvalues ---    0.45310   0.45435   0.45471   0.45583   0.45588
     Eigenvalues ---    0.45635   0.46014   0.46356   0.48914   0.49162
     Eigenvalues ---    0.49364   0.49878   0.50249   0.52572   0.54468
     Eigenvalues ---    0.54888   0.55082   0.56714   0.65824   0.73166
     Eigenvalues ---    0.766201000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    42   41   40   39   38
 RFO step:  Lambda=-2.60613126D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.51459   -0.10491   -0.59959   -0.04384    0.23375
 Iteration  1 RMS(Cart)=  0.00162700 RMS(Int)=  0.00000227
 Iteration  2 RMS(Cart)=  0.00000227 RMS(Int)=  0.00000037
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000037
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00001   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00004   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00001   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00002   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00001   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00003   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93034   0.00000  -0.00014   0.00008  -0.00006   2.93028
    R2        2.07166  -0.00001  -0.00001  -0.00001  -0.00002   2.07164
    R3        2.07039   0.00000  -0.00010   0.00004  -0.00007   2.07032
    R4        2.07662   0.00000  -0.00012   0.00003  -0.00009   2.07653
    R5        2.84160  -0.00001  -0.00007   0.00002  -0.00005   2.84154
    R6        2.06975   0.00000  -0.00013   0.00003  -0.00009   2.06966
    R7        2.07971  -0.00001  -0.00015   0.00003  -0.00012   2.07958
    R8        2.62092  -0.00002  -0.00005   0.00001  -0.00004   2.62088
    R9        2.65396   0.00001   0.00003  -0.00003   0.00001   2.65397
   R10        2.65845   0.00000   0.00016  -0.00004   0.00012   2.65857
   R11        2.04222   0.00001   0.00004  -0.00001   0.00003   2.04225
   R12        2.59513   0.00002  -0.00011   0.00005  -0.00006   2.59508
   R13        1.91173   0.00000   0.00000   0.00000   0.00000   1.91173
   R14        2.53417   0.00000   0.00002  -0.00001   0.00000   2.53417
   R15        2.03609   0.00000   0.00001   0.00000   0.00001   2.03609
   R16        4.14837   0.00000   0.00025  -0.00018   0.00007   4.14843
   R17        2.91870   0.00001  -0.00002  -0.00002  -0.00004   2.91866
   R18        2.07384  -0.00001   0.00003  -0.00001   0.00001   2.07385
   R19        2.07755   0.00000  -0.00003   0.00001  -0.00002   2.07753
   R20        2.07564   0.00002  -0.00001   0.00003   0.00002   2.07566
   R21        2.92655   0.00001   0.00003   0.00003   0.00005   2.92660
   R22        2.07734   0.00000   0.00000   0.00000   0.00000   2.07734
   R23        2.07298   0.00000   0.00003  -0.00001   0.00002   2.07300
   R24        2.88444   0.00003  -0.00001   0.00001   0.00000   2.88444
   R25        2.07115   0.00001  -0.00002   0.00001  -0.00001   2.07114
   R26        2.07732   0.00000  -0.00002  -0.00001  -0.00002   2.07730
   R27        2.40907   0.00002   0.00005   0.00010   0.00015   2.40922
   R28        2.52695  -0.00002  -0.00023  -0.00003  -0.00026   2.52669
   R29        4.11821  -0.00002  -0.00200  -0.00325  -0.00525   4.11296
   R30        2.55849   0.00021   0.00045   0.00043   0.00088   2.55937
   R31        2.91611   0.00000  -0.00003  -0.00001  -0.00003   2.91608
   R32        2.07169   0.00001   0.00001   0.00000   0.00002   2.07171
   R33        2.07040   0.00000   0.00000   0.00000  -0.00001   2.07040
   R34        2.07364   0.00000  -0.00003   0.00001  -0.00003   2.07361
   R35        2.84645  -0.00001   0.00002  -0.00005  -0.00003   2.84642
   R36        2.07937   0.00001   0.00002   0.00001   0.00003   2.07940
   R37        2.08021   0.00000  -0.00002   0.00001  -0.00001   2.08020
   R38        2.62015   0.00002   0.00001   0.00001   0.00001   2.62017
   R39        2.65654  -0.00004   0.00002  -0.00006  -0.00004   2.65651
   R40        2.65625  -0.00001   0.00002  -0.00002   0.00000   2.65625
   R41        2.03515   0.00000   0.00001   0.00001   0.00001   2.03517
   R42        2.59516   0.00001   0.00000   0.00000   0.00000   2.59516
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53230   0.00000  -0.00002   0.00002   0.00000   2.53230
   R45        2.03602   0.00000  -0.00001  -0.00001  -0.00002   2.03600
   R46        4.06667   0.00002   0.00019  -0.00009   0.00010   4.06677
   R47        2.91825  -0.00001   0.00003  -0.00003   0.00000   2.91825
   R48        2.07258   0.00000  -0.00001   0.00000  -0.00001   2.07258
   R49        2.07230   0.00001   0.00000   0.00001   0.00002   2.07232
   R50        2.07054   0.00000  -0.00002   0.00000  -0.00002   2.07053
   R51        2.84443   0.00000  -0.00003   0.00002  -0.00001   2.84442
   R52        2.07855   0.00000   0.00000   0.00000   0.00000   2.07855
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62226   0.00000   0.00001   0.00000   0.00001   2.62227
   R55        2.65342   0.00001  -0.00005   0.00003  -0.00002   2.65340
   R56        2.64857  -0.00001  -0.00008   0.00001  -0.00006   2.64850
   R57        2.03588   0.00000  -0.00001   0.00000  -0.00001   2.03588
   R58        2.60142   0.00000  -0.00001   0.00000  -0.00001   2.60141
   R59        1.91292   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52692   0.00000   0.00004   0.00001   0.00004   2.52696
   R61        2.03643   0.00000   0.00001   0.00000   0.00001   2.03644
   R62        4.04393   0.00001  -0.00106   0.00005  -0.00101   4.04292
   R63        3.83522  -0.00001  -0.00045  -0.00010  -0.00055   3.83466
   R64        4.51383  -0.00006  -0.00141   0.00061  -0.00079   4.51304
   R65        4.33450   0.00005   0.00237   0.00093   0.00329   4.33780
   R66        1.85924  -0.00003   0.00006   0.00007   0.00013   1.85936
   R67        2.09170  -0.00005  -0.00010  -0.00019  -0.00029   2.09141
   R68        2.39597   0.00004   0.00006   0.00002   0.00008   2.39605
   R69        2.58388  -0.00005  -0.00019   0.00000  -0.00020   2.58368
   R70        2.86873   0.00002   0.00011   0.00001   0.00012   2.86886
   R71        2.76851  -0.00002  -0.00001  -0.00004  -0.00006   2.76845
   R72        1.91408   0.00000   0.00000   0.00000   0.00000   1.91408
   R73        2.90179   0.00002   0.00000   0.00006   0.00006   2.90185
   R74        2.07418  -0.00001   0.00001  -0.00002  -0.00001   2.07417
   R75        2.06955   0.00000  -0.00001   0.00001   0.00000   2.06955
   R76        2.41246  -0.00002  -0.00008  -0.00004  -0.00012   2.41234
   R77        2.55042  -0.00001   0.00005  -0.00001   0.00005   2.55047
   R78        1.91788   0.00000   0.00001   0.00001   0.00001   1.91790
   R79        2.78915  -0.00003  -0.00007  -0.00007  -0.00014   2.78901
   R80        2.06893   0.00001   0.00002   0.00002   0.00004   2.06897
   R81        2.06330   0.00000  -0.00003   0.00000  -0.00002   2.06327
   R82        2.07182   0.00001  -0.00001   0.00001   0.00000   2.07182
   R83        2.07201   0.00001  -0.00002   0.00002   0.00000   2.07201
   R84        2.06861  -0.00001   0.00001  -0.00002  -0.00001   2.06860
   R85        2.06897   0.00000  -0.00001   0.00000  -0.00001   2.06896
    A1        1.92392   0.00000   0.00008   0.00000   0.00008   1.92400
    A2        1.93535   0.00000  -0.00006   0.00001  -0.00005   1.93530
    A3        1.95294   0.00000  -0.00004   0.00002  -0.00002   1.95293
    A4        1.88821   0.00000   0.00000  -0.00003  -0.00003   1.88818
    A5        1.87364   0.00000   0.00001  -0.00002  -0.00002   1.87362
    A6        1.88743   0.00000   0.00001   0.00002   0.00003   1.88746
    A7        1.98648  -0.00001  -0.00020  -0.00001  -0.00021   1.98628
    A8        1.90952   0.00000   0.00004  -0.00003   0.00001   1.90953
    A9        1.90662   0.00000  -0.00003   0.00003   0.00001   1.90663
   A10        1.88026   0.00000   0.00001  -0.00003  -0.00002   1.88024
   A11        1.91980   0.00001   0.00016   0.00001   0.00017   1.91997
   A12        1.85656   0.00000   0.00003   0.00002   0.00005   1.85661
   A13        2.30447  -0.00003  -0.00006  -0.00004  -0.00010   2.30437
   A14        2.14683   0.00002   0.00005   0.00004   0.00008   2.14692
   A15        1.83188   0.00001   0.00001   0.00000   0.00001   1.83190
   A16        1.91606   0.00000  -0.00002   0.00002   0.00000   1.91606
   A17        2.24300   0.00000  -0.00010   0.00001  -0.00009   2.24290
   A18        2.12403   0.00000   0.00012  -0.00002   0.00010   2.12413
   A19        1.89594  -0.00001   0.00001  -0.00002   0.00000   1.89593
   A20        2.19106   0.00001   0.00008   0.00001   0.00009   2.19115
   A21        2.19611   0.00000  -0.00010   0.00001  -0.00009   2.19602
   A22        1.92284  -0.00001   0.00005   0.00000   0.00005   1.92289
   A23        2.16200   0.00001  -0.00003   0.00001  -0.00002   2.16197
   A24        2.19833   0.00000  -0.00002  -0.00001  -0.00003   2.19830
   A25        1.85805   0.00001  -0.00006   0.00000  -0.00006   1.85799
   A26        2.21764   0.00002  -0.00016   0.00001  -0.00015   2.21750
   A27        2.20691  -0.00003   0.00023   0.00001   0.00024   2.20715
   A28        1.93552   0.00001   0.00000   0.00007   0.00006   1.93558
   A29        1.93455   0.00000   0.00002   0.00000   0.00002   1.93457
   A30        1.93432   0.00000   0.00004  -0.00006  -0.00002   1.93430
   A31        1.88912   0.00000  -0.00008   0.00005  -0.00003   1.88909
   A32        1.88567   0.00000   0.00002  -0.00002  -0.00001   1.88566
   A33        1.88280   0.00000   0.00000  -0.00003  -0.00003   1.88277
   A34        1.97091   0.00001   0.00012   0.00005   0.00017   1.97108
   A35        1.91275  -0.00001   0.00009  -0.00010  -0.00002   1.91274
   A36        1.91148   0.00000  -0.00001   0.00004   0.00003   1.91151
   A37        1.90061   0.00000  -0.00009  -0.00001  -0.00010   1.90051
   A38        1.89048  -0.00001  -0.00002  -0.00002  -0.00004   1.89044
   A39        1.87508   0.00000  -0.00010   0.00005  -0.00006   1.87502
   A40        1.94210  -0.00002   0.00004  -0.00004   0.00000   1.94209
   A41        1.94092   0.00000  -0.00004   0.00002  -0.00002   1.94091
   A42        1.90371   0.00002  -0.00016   0.00001  -0.00016   1.90356
   A43        1.90334   0.00001   0.00000   0.00004   0.00005   1.90338
   A44        1.88782   0.00000   0.00004  -0.00003   0.00001   1.88783
   A45        1.88430  -0.00001   0.00012   0.00000   0.00012   1.88442
   A46        2.10646  -0.00004  -0.00008  -0.00015  -0.00023   2.10624
   A47        2.03983   0.00002   0.00011   0.00008   0.00019   2.04002
   A48        2.13628   0.00002  -0.00003   0.00006   0.00004   2.13632
   A49        1.81289   0.00000   0.00013   0.00008   0.00022   1.81311
   A50        1.84380  -0.00002  -0.00003  -0.00009  -0.00012   1.84368
   A51        1.93811   0.00000  -0.00008   0.00001  -0.00006   1.93805
   A52        1.92252  -0.00001   0.00002  -0.00005  -0.00003   1.92250
   A53        1.94211   0.00001   0.00007   0.00000   0.00007   1.94219
   A54        1.88595   0.00001  -0.00007   0.00000  -0.00006   1.88589
   A55        1.89176   0.00000   0.00003  -0.00001   0.00002   1.89178
   A56        1.88148   0.00000   0.00002   0.00004   0.00005   1.88153
   A57        1.97633   0.00002   0.00000   0.00003   0.00003   1.97636
   A58        1.90143   0.00000  -0.00010   0.00002  -0.00008   1.90135
   A59        1.90727  -0.00001   0.00012  -0.00002   0.00011   1.90738
   A60        1.90447  -0.00001   0.00000  -0.00008  -0.00008   1.90439
   A61        1.91282   0.00000   0.00002   0.00004   0.00006   1.91288
   A62        1.85773   0.00000  -0.00005   0.00001  -0.00003   1.85769
   A63        2.32066   0.00001  -0.00005   0.00003  -0.00002   2.32064
   A64        2.13639  -0.00001   0.00006  -0.00006   0.00001   2.13640
   A65        1.82601   0.00000  -0.00002   0.00002   0.00000   1.82602
   A66        1.91817  -0.00001   0.00001  -0.00002  -0.00001   1.91816
   A67        2.24625  -0.00001   0.00007  -0.00004   0.00002   2.24627
   A68        2.11811   0.00001  -0.00007   0.00007   0.00000   2.11811
   A69        1.90200   0.00000   0.00001   0.00000   0.00001   1.90201
   A70        2.18844   0.00000   0.00000   0.00001   0.00001   2.18845
   A71        2.19229   0.00000  -0.00003  -0.00001  -0.00004   2.19225
   A72        1.91674   0.00000   0.00001  -0.00001  -0.00001   1.91673
   A73        2.18692   0.00000  -0.00001   0.00001  -0.00001   2.18691
   A74        2.17879   0.00001   0.00001   0.00001   0.00002   2.17881
   A75        1.86184   0.00000   0.00000   0.00001   0.00000   1.86184
   A76        2.19998  -0.00002   0.00003   0.00008   0.00011   2.20009
   A77        2.19593   0.00002  -0.00011  -0.00007  -0.00019   2.19574
   A78        1.94203   0.00000  -0.00003   0.00002  -0.00001   1.94201
   A79        1.94039   0.00001   0.00005  -0.00002   0.00004   1.94043
   A80        1.92528   0.00001  -0.00005   0.00005   0.00000   1.92528
   A81        1.89024   0.00000   0.00001  -0.00002  -0.00001   1.89023
   A82        1.87708   0.00000   0.00001   0.00000   0.00001   1.87709
   A83        1.88668  -0.00001   0.00000  -0.00003  -0.00003   1.88665
   A84        1.95889   0.00000  -0.00004   0.00003   0.00000   1.95888
   A85        1.90784   0.00000   0.00000  -0.00001  -0.00002   1.90782
   A86        1.90628   0.00000   0.00000   0.00001   0.00001   1.90628
   A87        1.91228   0.00000   0.00005  -0.00001   0.00004   1.91232
   A88        1.91961   0.00000  -0.00001  -0.00001  -0.00002   1.91959
   A89        1.85607   0.00000   0.00001  -0.00001   0.00000   1.85607
   A90        2.30202   0.00002  -0.00012   0.00006  -0.00006   2.30196
   A91        2.15472  -0.00002   0.00011  -0.00006   0.00005   2.15477
   A92        1.82642   0.00000   0.00001   0.00000   0.00001   1.82643
   A93        1.91781   0.00000  -0.00002  -0.00001  -0.00002   1.91778
   A94        2.24951   0.00001   0.00004   0.00001   0.00004   2.24955
   A95        2.11587  -0.00001  -0.00002   0.00000  -0.00002   2.11585
   A96        1.89974   0.00000   0.00002   0.00000   0.00002   1.89976
   A97        2.19049  -0.00001   0.00002  -0.00002   0.00000   2.19049
   A98        2.19283   0.00001  -0.00004   0.00002  -0.00002   2.19281
   A99        1.91549  -0.00001  -0.00005   0.00000  -0.00005   1.91544
   A100       2.18932  -0.00001   0.00005   0.00000   0.00005   2.18937
   A101       2.17810   0.00001   0.00000   0.00001   0.00000   2.17810
   A102       1.86528   0.00001   0.00004   0.00001   0.00005   1.86533
   A103       2.21190   0.00000   0.00011  -0.00001   0.00011   2.21201
   A104       2.19129  -0.00001  -0.00012  -0.00002  -0.00014   2.19114
   A105       1.71395   0.00001   0.00030   0.00032   0.00063   1.71458
   A106       1.56094   0.00000  -0.00041   0.00015  -0.00026   1.56068
   A107       1.68696  -0.00001  -0.00013   0.00004  -0.00010   1.68686
   A108       3.00360   0.00002  -0.00005  -0.00001  -0.00005   3.00355
   A109       1.66405   0.00000  -0.00009   0.00005  -0.00004   1.66401
   A110       1.72207  -0.00002  -0.00002   0.00001  -0.00001   1.72206
   A111       1.61249   0.00001   0.00021   0.00015   0.00036   1.61285
   A112       1.48565  -0.00001  -0.00004  -0.00012  -0.00016   1.48549
   A113       2.89574  -0.00001  -0.00022  -0.00033  -0.00055   2.89519
   A114       2.90608   0.00001   0.00011  -0.00029  -0.00018   2.90590
   A115       1.44785   0.00001   0.00045  -0.00010   0.00035   1.44820
   A116       1.48831   0.00002   0.00019  -0.00015   0.00004   1.48835
   A117       1.57685  -0.00001   0.00003  -0.00014  -0.00011   1.57675
   A118       1.43442  -0.00001  -0.00029  -0.00010  -0.00038   1.43403
   A119       1.43006   0.00000  -0.00016  -0.00027  -0.00043   1.42962
   A120       2.10341   0.00005   0.00024   0.00025   0.00049   2.10390
   A121       2.17915  -0.00002   0.00010   0.00004   0.00013   2.17928
   A122       1.76880  -0.00002  -0.00013  -0.00049  -0.00062   1.76818
   A123       2.07222   0.00005   0.00065   0.00124   0.00190   2.07411
   A124       2.91203  -0.00002  -0.00049  -0.00068  -0.00118   2.91085
   A125       2.13115   0.00001   0.00024  -0.00005   0.00019   2.13134
   A126       2.11481  -0.00002  -0.00020   0.00000  -0.00021   2.11461
   A127       2.03708   0.00001  -0.00003   0.00004   0.00000   2.03709
   A128       2.29659   0.00000  -0.00007  -0.00013  -0.00020   2.29639
   A129       2.14556   0.00000   0.00023  -0.00004   0.00019   2.14575
   A130       2.07022  -0.00001  -0.00013   0.00002  -0.00011   2.07011
   A131       2.06704   0.00001  -0.00008   0.00003  -0.00005   2.06699
   A132       1.98081   0.00000  -0.00018   0.00005  -0.00013   1.98068
   A133       1.90327   0.00000  -0.00003  -0.00003  -0.00006   1.90321
   A134       1.90229   0.00001  -0.00001   0.00003   0.00002   1.90231
   A135       1.81970   0.00000   0.00007  -0.00004   0.00003   1.81973
   A136       1.94920   0.00000   0.00014  -0.00002   0.00012   1.94932
   A137       1.90574   0.00000   0.00002   0.00000   0.00002   1.90576
   A138       2.09869   0.00001  -0.00015   0.00008  -0.00006   2.09863
   A139       2.03165  -0.00005   0.00000  -0.00012  -0.00011   2.03154
   A140       2.15070   0.00004   0.00014   0.00004   0.00018   2.15089
   A141       2.07345  -0.00001  -0.00041  -0.00039  -0.00081   2.07265
   A142       2.06342  -0.00002  -0.00007   0.00000  -0.00007   2.06335
   A143       2.16052   0.00004   0.00000   0.00008   0.00009   2.16060
   A144       2.03948  -0.00002  -0.00004  -0.00002  -0.00007   2.03942
   A145       1.91445   0.00001   0.00012   0.00007   0.00020   1.91465
   A146       1.89490   0.00001  -0.00006   0.00000  -0.00006   1.89484
   A147       1.90504  -0.00001   0.00004  -0.00008  -0.00004   1.90500
   A148       1.91101   0.00000   0.00005   0.00000   0.00005   1.91106
   A149       1.93010  -0.00001  -0.00009   0.00001  -0.00009   1.93002
   A150       1.90796   0.00001  -0.00006  -0.00001  -0.00007   1.90789
   A151       1.90454  -0.00002  -0.00009  -0.00001  -0.00011   1.90444
   A152       1.90425  -0.00001   0.00001  -0.00005  -0.00004   1.90421
   A153       1.97691   0.00001   0.00005   0.00002   0.00007   1.97698
   A154       1.87634   0.00001   0.00001   0.00003   0.00003   1.87638
   A155       1.89333   0.00000   0.00003   0.00000   0.00003   1.89336
   A156       1.90587   0.00000  -0.00002   0.00003   0.00001   1.90588
    D1        3.11065   0.00000  -0.00009  -0.00007  -0.00016   3.11049
    D2        1.00646   0.00000   0.00000   0.00000   0.00000   1.00646
    D3       -1.01940   0.00000  -0.00005  -0.00003  -0.00008  -1.01948
    D4        1.02008   0.00000  -0.00010  -0.00004  -0.00014   1.01994
    D5       -1.08411   0.00001  -0.00001   0.00002   0.00001  -1.08410
    D6       -3.10997   0.00000  -0.00006   0.00000  -0.00006  -3.11003
    D7       -1.08886  -0.00001  -0.00005  -0.00008  -0.00014  -1.08900
    D8        3.09014   0.00000   0.00004  -0.00002   0.00002   3.09015
    D9        1.06427   0.00000  -0.00001  -0.00005  -0.00006   1.06422
   D10       -2.11976   0.00001   0.00108   0.00053   0.00161  -2.11816
   D11        1.02298   0.00000   0.00030   0.00055   0.00085   1.02383
   D12        0.00076   0.00000   0.00101   0.00047   0.00148   0.00224
   D13       -3.13968  -0.00001   0.00023   0.00049   0.00072  -3.13896
   D14        2.01747   0.00001   0.00114   0.00048   0.00162   2.01909
   D15       -1.12297   0.00000   0.00036   0.00050   0.00086  -1.12211
   D16       -3.13928   0.00001  -0.00055   0.00016  -0.00039  -3.13967
   D17        0.01758  -0.00001  -0.00092  -0.00012  -0.00103   0.01655
   D18        0.00132   0.00001   0.00012   0.00014   0.00026   0.00158
   D19       -3.12501   0.00000  -0.00024  -0.00014  -0.00038  -3.12539
   D20        3.13955   0.00000   0.00061  -0.00001   0.00061   3.14015
   D21       -0.01451   0.00000   0.00009  -0.00003   0.00006  -0.01445
   D22       -0.00116   0.00000   0.00001   0.00001   0.00002  -0.00114
   D23        3.12797  -0.00001  -0.00051  -0.00001  -0.00052   3.12745
   D24       -0.00099  -0.00002  -0.00022  -0.00025  -0.00046  -0.00145
   D25        3.10572   0.00000   0.00025   0.00019   0.00043   3.10615
   D26        3.12656  -0.00001   0.00011   0.00001   0.00013   3.12669
   D27       -0.04991   0.00001   0.00057   0.00044   0.00102  -0.04889
   D28        0.00059  -0.00001  -0.00015  -0.00017  -0.00032   0.00027
   D29       -3.13561  -0.00001   0.00013  -0.00018  -0.00005  -3.13566
   D30       -3.12849   0.00000   0.00037  -0.00015   0.00022  -3.12827
   D31        0.01849   0.00000   0.00065  -0.00016   0.00049   0.01899
   D32        0.00024   0.00001   0.00022   0.00025   0.00047   0.00071
   D33       -3.10676   0.00000  -0.00022  -0.00018  -0.00040  -3.10716
   D34        3.13630   0.00002  -0.00007   0.00026   0.00020   3.13649
   D35        0.02930   0.00000  -0.00051  -0.00016  -0.00068   0.02862
   D36        1.95107   0.00000  -0.00051  -0.00118  -0.00169   1.94938
   D37       -2.60989  -0.00002  -0.00059  -0.00115  -0.00173  -2.61163
   D38        0.32103  -0.00002  -0.00075  -0.00137  -0.00212   0.31891
   D39       -2.33526  -0.00002   0.00142   0.00041   0.00183  -2.33343
   D40       -1.12287   0.00000  -0.00044  -0.00128  -0.00172  -1.12459
   D41       -1.23210   0.00001   0.00003  -0.00067  -0.00064  -1.23274
   D42        0.49012  -0.00001  -0.00005  -0.00063  -0.00068   0.48944
   D43       -2.86215   0.00000  -0.00021  -0.00086  -0.00107  -2.86322
   D44        0.76475   0.00000   0.00196   0.00093   0.00288   0.76764
   D45        1.97714   0.00001   0.00010  -0.00077  -0.00067   1.97647
   D46        1.06307   0.00000  -0.00012   0.00016   0.00004   1.06311
   D47       -3.09802   0.00000  -0.00009   0.00011   0.00001  -3.09801
   D48       -1.04517   0.00000  -0.00017   0.00013  -0.00004  -1.04522
   D49       -1.03573  -0.00001  -0.00003   0.00005   0.00002  -1.03571
   D50        1.08636  -0.00001   0.00000   0.00000  -0.00001   1.08635
   D51        3.13921   0.00000  -0.00008   0.00001  -0.00007   3.13914
   D52       -3.12580   0.00000  -0.00008   0.00013   0.00006  -3.12574
   D53       -1.00371   0.00000  -0.00005   0.00008   0.00003  -1.00368
   D54        1.04914   0.00000  -0.00012   0.00010  -0.00002   1.04911
   D55       -1.08508   0.00000   0.00006  -0.00014  -0.00008  -1.08516
   D56        1.04059   0.00000   0.00006  -0.00010  -0.00004   1.04056
   D57        3.11681   0.00000   0.00008  -0.00008   0.00001   3.11682
   D58        3.06917   0.00000  -0.00007  -0.00003  -0.00010   3.06907
   D59       -1.08834   0.00000  -0.00007   0.00001  -0.00006  -1.08840
   D60        0.98788   0.00000  -0.00004   0.00003  -0.00001   0.98787
   D61        1.03509   0.00000   0.00011  -0.00007   0.00004   1.03512
   D62       -3.12243   0.00000   0.00011  -0.00003   0.00008  -3.12234
   D63       -1.04620   0.00000   0.00014  -0.00001   0.00013  -1.04608
   D64       -0.87657  -0.00001  -0.00172   0.00008  -0.00163  -0.87820
   D65        2.22835  -0.00001  -0.00152  -0.00006  -0.00158   2.22677
   D66       -3.02395  -0.00001  -0.00169   0.00005  -0.00164  -3.02558
   D67        0.08098   0.00000  -0.00149  -0.00009  -0.00159   0.07939
   D68        1.21417   0.00000  -0.00187   0.00005  -0.00182   1.21235
   D69       -1.96409   0.00000  -0.00166  -0.00010  -0.00177  -1.96586
   D70        2.98382   0.00000  -0.00055   0.00048  -0.00008   2.98374
   D71       -0.11903   0.00000  -0.00077   0.00064  -0.00013  -0.11916
   D72       -2.99431   0.00000   0.00032  -0.00010   0.00022  -2.99409
   D73        0.10993   0.00000   0.00052  -0.00026   0.00026   0.11020
   D74        0.00625  -0.00002   0.00132  -0.00105   0.00028   0.00652
   D75        0.24542  -0.00001  -0.00186  -0.00215  -0.00402   0.24141
   D76       -1.04716   0.00000  -0.00007  -0.00008  -0.00015  -1.04731
   D77        1.07541   0.00000  -0.00014  -0.00016  -0.00030   1.07511
   D78        3.09852   0.00000  -0.00018  -0.00014  -0.00033   3.09819
   D79       -3.13578   0.00000   0.00005  -0.00007  -0.00002  -3.13580
   D80       -1.01321   0.00000  -0.00002  -0.00014  -0.00016  -1.01337
   D81        1.00990   0.00000  -0.00007  -0.00012  -0.00019   1.00971
   D82        1.06181   0.00000  -0.00003  -0.00008  -0.00011   1.06170
   D83       -3.09880   0.00000  -0.00011  -0.00015  -0.00026  -3.09906
   D84       -1.07569   0.00000  -0.00015  -0.00014  -0.00029  -1.07598
   D85       -0.09773   0.00001   0.00228   0.00094   0.00322  -0.09451
   D86        3.02420   0.00000   0.00199   0.00059   0.00258   3.02678
   D87       -2.21860   0.00001   0.00241   0.00096   0.00337  -2.21523
   D88        0.90333   0.00000   0.00212   0.00061   0.00273   0.90606
   D89        2.03668   0.00001   0.00245   0.00097   0.00342   2.04010
   D90       -1.12457   0.00000   0.00216   0.00062   0.00278  -1.12179
   D91        3.11986  -0.00001  -0.00021  -0.00028  -0.00049   3.11937
   D92        0.01743  -0.00001  -0.00044  -0.00044  -0.00089   0.01655
   D93       -0.00458   0.00000   0.00004   0.00004   0.00008  -0.00450
   D94       -3.10700  -0.00001  -0.00019  -0.00013  -0.00032  -3.10733
   D95       -3.12005   0.00001   0.00021   0.00032   0.00053  -3.11952
   D96       -0.00965   0.00001  -0.00034   0.00037   0.00002  -0.00962
   D97        0.00667   0.00000  -0.00001   0.00005   0.00004   0.00671
   D98        3.11708   0.00000  -0.00056   0.00010  -0.00046   3.11661
   D99        0.00081   0.00000  -0.00006  -0.00011  -0.00017   0.00064
   D100      -2.91055  -0.00001   0.00035  -0.00014   0.00021  -2.91034
   D101       3.10661   0.00000   0.00016   0.00004   0.00019   3.10681
   D102       0.19525   0.00000   0.00056   0.00001   0.00057   0.19582
   D103      -0.00651   0.00000  -0.00002  -0.00013  -0.00015  -0.00667
   D104       3.09529   0.00000   0.00000  -0.00002  -0.00001   3.09528
   D105      -3.11684   0.00000   0.00053  -0.00017   0.00035  -3.11648
   D106      -0.01503   0.00000   0.00055  -0.00006   0.00049  -0.01453
   D107       0.00350   0.00001   0.00005   0.00015   0.00020   0.00369
   D108       2.91555   0.00000  -0.00033   0.00020  -0.00013   2.91542
   D109      -3.09854   0.00000   0.00002   0.00003   0.00006  -3.09848
   D110      -0.18648   0.00000  -0.00036   0.00009  -0.00027  -0.18675
   D111      -0.47403   0.00000  -0.00139   0.00006  -0.00133  -0.47536
   D112      -2.05673   0.00000  -0.00101  -0.00014  -0.00116  -2.05789
   D113       1.22029   0.00000  -0.00148   0.00014  -0.00134   1.21895
   D114       2.79361  -0.00001  -0.00146  -0.00002  -0.00148   2.79212
   D115       2.38736   0.00001  -0.00146   0.00088  -0.00058   2.38679
   D116       2.94052   0.00000  -0.00093   0.00001  -0.00092   2.93960
   D117       1.35782   0.00000  -0.00055  -0.00019  -0.00074   1.35708
   D118      -1.64834   0.00000  -0.00101   0.00009  -0.00093  -1.64927
   D119      -0.07502  -0.00001  -0.00100  -0.00007  -0.00107  -0.07609
   D120      -0.48127   0.00001  -0.00099   0.00083  -0.00016  -0.48143
   D121      -1.05704   0.00000  -0.00003   0.00003   0.00000  -1.05704
   D122       3.10073   0.00000  -0.00006   0.00004  -0.00003   3.10071
   D123       1.07659   0.00000  -0.00007   0.00005  -0.00001   1.07657
   D124       1.05150   0.00000   0.00000   0.00001   0.00001   1.05151
   D125      -1.07391   0.00000  -0.00003   0.00002  -0.00002  -1.07393
   D126      -3.09806   0.00000  -0.00004   0.00003  -0.00001  -3.09806
   D127      -3.13888   0.00000   0.00000   0.00000   0.00000  -3.13888
   D128       1.01889   0.00000  -0.00003   0.00000  -0.00003   1.01886
   D129      -1.00525   0.00000  -0.00003   0.00001  -0.00002  -1.00527
   D130       0.36868   0.00001  -0.00078   0.00018  -0.00060   0.36808
   D131      -2.76422   0.00000  -0.00074  -0.00009  -0.00084  -2.76506
   D132       2.49155   0.00001  -0.00077   0.00017  -0.00060   2.49095
   D133      -0.64135   0.00000  -0.00074  -0.00010  -0.00084  -0.64218
   D134      -1.75736   0.00000  -0.00074   0.00015  -0.00059  -1.75795
   D135       1.39293   0.00000  -0.00071  -0.00012  -0.00083   1.39210
   D136      -3.12680   0.00000  -0.00001  -0.00011  -0.00012  -3.12692
   D137       0.01332  -0.00001  -0.00032  -0.00019  -0.00051   0.01281
   D138       0.00730   0.00000  -0.00003   0.00012   0.00009   0.00738
   D139      -3.13577   0.00000  -0.00035   0.00005  -0.00030  -3.13608
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   D141       0.00219   0.00000  -0.00017   0.00015  -0.00001   0.00217
   D142      -0.00717  -0.00001   0.00002  -0.00020  -0.00018  -0.00735
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   D144      -0.00478   0.00000   0.00004   0.00001   0.00004  -0.00473
   D145       2.96034   0.00000   0.00020  -0.00012   0.00008   2.96043
   D146       3.13815   0.00001   0.00033   0.00007   0.00040   3.13855
   D147      -0.17991   0.00000   0.00049  -0.00005   0.00044  -0.17947
   D148       0.00453   0.00001   0.00000   0.00022   0.00022   0.00475
   D149      -3.11279   0.00000   0.00022   0.00002   0.00025  -3.11254
   D150       3.13005   0.00001   0.00017   0.00007   0.00023   3.13029
   D151       0.01274   0.00000   0.00038  -0.00013   0.00026   0.01299
   D152       0.00010  -0.00001  -0.00002  -0.00014  -0.00016  -0.00006
   D153      -2.96769   0.00000  -0.00022  -0.00001  -0.00023  -2.96792
   D154       3.11761   0.00000  -0.00024   0.00005  -0.00019   3.11742
   D155       0.14982   0.00000  -0.00044   0.00018  -0.00026   0.14957
   D156      -1.44141   0.00000  -0.00057   0.00021  -0.00036  -1.44177
   D157       0.27270   0.00001  -0.00032   0.00056   0.00023   0.27293
   D158       2.79787   0.00000   0.00178  -0.00006   0.00172   2.79960
   D159       1.73778   0.00000  -0.00029   0.00042   0.00013   1.73791
   D160      -3.10660   0.00000  -0.00051   0.00017  -0.00034  -3.10694
   D161       1.49220   0.00000  -0.00035   0.00006  -0.00029   1.49191
   D162      -3.07688   0.00000  -0.00010   0.00041   0.00030  -3.07657
   D163      -0.55170  -0.00001   0.00200  -0.00021   0.00179  -0.54991
   D164      -1.61179  -0.00001  -0.00007   0.00027   0.00020  -1.61160
   D165      -0.17299  -0.00001  -0.00029   0.00002  -0.00027  -0.17326
   D166       1.75314  -0.00001   0.00072  -0.00012   0.00060   1.75374
   D167      -0.57747  -0.00001   0.00046   0.00039   0.00085  -0.57662
   D168       0.03316  -0.00002   0.00040  -0.00047  -0.00007   0.03309
   D169      -2.29745  -0.00002   0.00014   0.00004   0.00018  -2.29727
   D170      -2.49948   0.00000  -0.00167   0.00014  -0.00152  -2.50100
   D171       1.45310  -0.00001  -0.00193   0.00065  -0.00127   1.45183
   D172      -1.45267   0.00000   0.00044  -0.00034   0.00010  -1.45257
   D173       2.49991   0.00000   0.00018   0.00017   0.00035   2.50026
   D174      -2.88055   0.00000   0.00062  -0.00009   0.00053  -2.88002
   D175       1.07202  -0.00001   0.00035   0.00042   0.00078   1.07280
   D176       1.02255   0.00000  -0.00189  -0.00224  -0.00412   1.01843
   D177       3.03379  -0.00001   0.00006  -0.00063  -0.00057   3.03322
   D178       1.29931   0.00000   0.00012  -0.00066  -0.00054   1.29877
   D179      -1.63727   0.00000   0.00027  -0.00047  -0.00020  -1.63748
   D180      -0.20509  -0.00001  -0.00003  -0.00055  -0.00058  -0.20568
   D181       2.09036   0.00000  -0.00047  -0.00025  -0.00071   2.08965
   D182      -0.77274  -0.00001  -0.00042  -0.00107  -0.00149  -0.77423
   D183      -2.63969   0.00001  -0.00086  -0.00011  -0.00097  -2.64066
   D184       0.41471   0.00001  -0.00032  -0.00027  -0.00059   0.41412
   D185      -1.18171   0.00002  -0.00042  -0.00018  -0.00059  -1.18230
   D186      -2.39616   0.00002  -0.00131   0.00084  -0.00047  -2.39664
   D187       0.09346   0.00002  -0.00104   0.00056  -0.00048   0.09297
   D188       2.09506   0.00003   0.00279   0.00164   0.00443   2.09949
   D189      -0.35595   0.00000   0.00244   0.00184   0.00429  -0.35166
   D190       0.89816   0.00002   0.00053   0.00084   0.00137   0.89953
   D191      -2.26197   0.00001   0.00047   0.00035   0.00081  -2.26115
   D192       0.07922  -0.00001  -0.00042  -0.00037  -0.00080   0.07843
   D193      -3.09190   0.00000   0.00030  -0.00003   0.00027  -3.09163
   D194      -3.04461   0.00000  -0.00036   0.00010  -0.00027  -3.04488
   D195       0.06745   0.00001   0.00036   0.00044   0.00080   0.06825
   D196      -1.14951   0.00000   0.00038   0.00043   0.00080  -1.14870
   D197       0.89595   0.00000   0.00034   0.00042   0.00076   0.89672
   D198       3.02272   0.00001   0.00036   0.00043   0.00080   3.02352
   D199       1.97451  -0.00001   0.00032  -0.00004   0.00028   1.97479
   D200      -2.26322  -0.00001   0.00028  -0.00004   0.00024  -2.26298
   D201      -0.13645   0.00000   0.00031  -0.00003   0.00028  -0.13617
   D202      -1.44739   0.00001   0.00032   0.00031   0.00063  -1.44675
   D203       0.57261   0.00000   0.00028   0.00027   0.00055   0.57316
   D204       2.65164   0.00001   0.00028   0.00028   0.00055   2.65219
   D205       1.72368   0.00000  -0.00040  -0.00002  -0.00043   1.72326
   D206      -2.53950   0.00000  -0.00044  -0.00007  -0.00051  -2.54001
   D207      -0.46048   0.00000  -0.00044  -0.00006  -0.00051  -0.46099
   D208       0.70087  -0.00002  -0.00088  -0.00089  -0.00177   0.69910
   D209      -2.50867   0.00000  -0.00087  -0.00078  -0.00166  -2.51033
   D210      -1.36793  -0.00001  -0.00079  -0.00085  -0.00164  -1.36957
   D211       1.70571   0.00000  -0.00079  -0.00074  -0.00153   1.70418
   D212       2.85965  -0.00001  -0.00092  -0.00082  -0.00174   2.85790
   D213      -0.34989   0.00000  -0.00092  -0.00072  -0.00163  -0.35153
   D214       1.00720   0.00000   0.00047   0.00096   0.00143   1.00862
   D215      -2.06163  -0.00001   0.00048   0.00085   0.00132  -2.06031
   D216       0.00035   0.00000  -0.00052   0.00023  -0.00029   0.00005
   D217      -2.92189   0.00000   0.00007  -0.00010  -0.00003  -2.92192
   D218       3.07176   0.00001  -0.00053   0.00034  -0.00019   3.07157
   D219       0.14953   0.00001   0.00006   0.00002   0.00008   0.14960
   D220      -2.45005   0.00000   0.00222   0.00136   0.00358  -2.44647
   D221      -0.36246   0.00000   0.00232   0.00140   0.00372  -0.35874
   D222       1.71594   0.00002   0.00223   0.00135   0.00358   1.71953
   D223       0.90813  -0.00001   0.00281   0.00103   0.00384   0.91197
   D224       2.99572   0.00000   0.00291   0.00108   0.00399   2.99971
   D225      -1.20906   0.00001   0.00282   0.00103   0.00385  -1.20521
         Item               Value     Threshold  Converged?
 Maximum Force            0.000204     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.008868     0.001800     NO 
 RMS     Displacement     0.001627     0.001200     NO 
 Predicted change in Energy=-6.666023D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.070512    2.546772    3.554564
      2          6           0       -3.330136    1.187932    3.653901
      3          6           0       -2.081339    1.114760    2.819511
      4          6           0       -1.697322    0.261682    1.795641
      5          7           0       -1.003129    2.000846    2.976722
      6          6           0       -0.025843    1.667575    2.071365
      7          7           0       -0.414691    0.614478    1.337790
      8          6           0       -5.229874    0.900169    0.144642
      9          6           0       -5.872335   -0.174043   -0.760208
     10          6           0       -5.242672   -1.576442   -0.572484
     11          6           0       -3.763637   -1.574442   -0.949698
     12          8           0       -3.377163   -1.090218   -2.063947
     13          8           0       -2.908046   -2.059837   -0.044099
     14          6           0       -2.266394    4.233290   -2.991049
     15          6           0       -0.989414    3.839147   -3.762543
     16          6           0       -0.190151    2.761615   -3.077764
     17          6           0       -0.318929    2.122985   -1.853819
     18          7           0        0.932698    2.162160   -3.674448
     19          6           0        1.430242    1.203075   -2.826771
     20          7           0        0.692100    1.157207   -1.709304
     21          6           0        4.687333    4.004337    1.480040
     22          6           0        5.164033    2.626192    1.988229
     23          6           0        4.195102    1.526452    1.645634
     24          6           0        3.201709    1.433939    0.681180
     25          7           0        4.140330    0.301826    2.330356
     26          6           0        3.139431   -0.469057    1.783555
     27          7           0        2.554360    0.194890    0.781062
     28         30           0        0.757757   -0.394686   -0.219807
     29          1           0       -4.985340    2.525178    4.158233
     30          1           0       -4.350033    2.764361    2.517844
     31          1           0       -3.453536    3.377554    3.924182
     32          1           0       -3.998220    0.384615    3.325508
     33          1           0       -3.091233    0.981309    4.708065
     34          1           0       -2.251128   -0.556961    1.358530
     35          1           0       -0.961152    2.764356    3.639073
     36          1           0        0.913843    2.187363    1.983512
     37          1           0       -4.161143    1.011740   -0.078366
     38          1           0       -5.333703    0.631060    1.205510
     39          1           0       -5.712127    1.875698   -0.004474
     40          1           0       -6.949574   -0.236566   -0.550296
     41          1           0       -5.758805    0.116819   -1.811819
     42          1           0       -5.347653   -1.922899    0.462004
     43          1           0       -5.761664   -2.293280   -1.224525
     44          1           0       -2.935412    3.373044   -2.871597
     45          1           0       -2.810297    5.013465   -3.534971
     46          1           0       -2.024887    4.624994   -1.994892
     47          1           0       -1.272081    3.493918   -4.768392
     48          1           0       -0.360598    4.731403   -3.904725
     49          1           0       -1.071527    2.264139   -1.096506
     50          1           0        1.295998    2.382477   -4.593158
     51          1           0        2.264197    0.555283   -3.040528
     52          1           0        4.578350    4.010026    0.388723
     53          1           0        3.722688    4.278276    1.923890
     54          1           0        5.415544    4.779490    1.743384
     55          1           0        5.302630    2.668623    3.078557
     56          1           0        6.152141    2.403888    1.558991
     57          1           0        2.911253    2.157569   -0.062227
     58          1           0        4.730791    0.036456    3.108585
     59          1           0        2.850038   -1.450025    2.123043
     60          8           0       -0.790754   -1.393807   -1.069270
     61          1           0       -1.207362   -1.060735   -1.896085
     62          1           0       -1.672368   -1.777987   -0.521541
     63          6           0        2.983835   -2.523963   -1.576507
     64          8           0        2.286440   -1.472810   -1.704481
     65          7           0        2.438869   -3.714330   -1.182371
     66          6           0        1.001512   -3.900675   -0.969027
     67          6           0        0.523191   -3.437749    0.414791
     68          8           0        0.988995   -2.367241    0.931154
     69          7           0       -0.452322   -4.172518    0.989290
     70          1           0        0.449512   -3.264429   -1.672745
     71          1           0        0.746473   -4.949272   -1.155504
     72          1           0        3.052432   -4.510102   -1.055000
     73          1           0       -0.809029   -4.976455    0.482851
     74          6           0       -1.217141   -3.738262    2.174490
     75          1           0       -1.375548   -4.589984    2.843950
     76          1           0       -0.644603   -2.967611    2.694496
     77          1           0       -2.176955   -3.319697    1.849579
     78          6           0        4.471174   -2.521692   -1.880725
     79          1           0        4.618275   -2.340532   -2.952063
     80          1           0        4.946370   -1.697625   -1.339087
     81          1           0        4.968280   -3.460580   -1.616034
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968759      0.0726861      0.0659762
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4910.7801637823 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122044.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000012   -0.000092    0.000079 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581560     A.U. after    8 cycles
            NFock=  8  Conv=0.58D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122044.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000013006   -0.000003041   -0.000005004
      3        6          -0.000016019   -0.000010548   -0.000005023
      4        6           0.000004262   -0.000018750   -0.000011872
      5        7           0.000041741   -0.000001657    0.000011944
      6        6          -0.000078894   -0.000002175   -0.000026856
      7        7           0.000055739    0.000053331    0.000020263
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000012668   -0.000004674   -0.000021642
     10        6           0.000025786    0.000000010   -0.000017610
     11        6          -0.000004170   -0.000015359   -0.000018120
     12        8           0.000008338   -0.000042769   -0.000011576
     13        8           0.000125525    0.000151873    0.000063236
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000003968    0.000025874   -0.000008845
     16        6          -0.000027498   -0.000031624    0.000000715
     17        6          -0.000017326    0.000039795    0.000025024
     18        7           0.000040617    0.000001676   -0.000004423
     19        6          -0.000001757   -0.000008865    0.000016509
     20        7          -0.000034247   -0.000016549   -0.000033460
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000004737   -0.000005115    0.000004005
     23        6           0.000036619   -0.000029550   -0.000002022
     24        6          -0.000016785   -0.000002387   -0.000010026
     25        7          -0.000015879    0.000024017    0.000007004
     26        6           0.000030974   -0.000006267    0.000004142
     27        7          -0.000061808    0.000001207    0.000007008
     28       30           0.000026040    0.000046109   -0.000023901
     29        1          -0.000005054    0.000000283   -0.000002354
     30        1           0.000014379   -0.000008211   -0.000022917
     31        1          -0.000007934   -0.000021740    0.000016370
     32        1           0.000012999    0.000017209   -0.000016166
     33        1          -0.000016324    0.000008543    0.000022745
     34        1          -0.000001723   -0.000006112    0.000000438
     35        1           0.000000141    0.000000107    0.000002278
     36        1           0.000008814   -0.000006943   -0.000007568
     37        1           0.000013378   -0.000002606    0.000001162
     38        1           0.000008228    0.000001690    0.000004637
     39        1           0.000008319   -0.000006264    0.000000985
     40        1           0.000002222   -0.000005616    0.000013470
     41        1          -0.000009915    0.000008355    0.000005515
     42        1           0.000007150    0.000010254    0.000003231
     43        1          -0.000010557    0.000012216    0.000005339
     44        1           0.000001253    0.000004498    0.000005978
     45        1          -0.000003618   -0.000002571   -0.000003253
     46        1          -0.000002598    0.000001746    0.000002184
     47        1          -0.000001242    0.000003753   -0.000003273
     48        1           0.000004216   -0.000007070   -0.000000138
     49        1           0.000005287   -0.000011147   -0.000004653
     50        1          -0.000007151   -0.000012246    0.000007489
     51        1           0.000005049    0.000003705   -0.000008622
     52        1           0.000002982   -0.000001282    0.000001135
     53        1           0.000007386   -0.000003116    0.000003809
     54        1           0.000004566   -0.000004981    0.000001684
     55        1          -0.000003818    0.000002263   -0.000000581
     56        1           0.000000264    0.000001676   -0.000001779
     57        1           0.000002937    0.000001597    0.000001718
     58        1           0.000003132   -0.000007445    0.000004624
     59        1          -0.000014337   -0.000001380   -0.000005732
     60        8           0.000063821   -0.000018737   -0.000020819
     61        1           0.000036511    0.000084510    0.000017224
     62        1          -0.000230004   -0.000189888   -0.000039723
     63        6          -0.000046192   -0.000017068   -0.000016057
     64        8           0.000086773    0.000012121    0.000031250
     65        7           0.000017655    0.000016585   -0.000021387
     66        6          -0.000006331   -0.000016305   -0.000018599
     67        6           0.000010416   -0.000013727    0.000007913
     68        8          -0.000040783    0.000004442    0.000045353
     69        7           0.000027147   -0.000034645   -0.000022203
     70        1          -0.000002680    0.000006273   -0.000003288
     71        1           0.000001650    0.000005937    0.000009826
     72        1          -0.000005904    0.000000517    0.000005220
     73        1          -0.000018659    0.000009524    0.000010535
     74        6          -0.000007107    0.000003621    0.000002127
     75        1           0.000003316    0.000004910    0.000002277
     76        1          -0.000005228    0.000007927    0.000006142
     77        1           0.000003998    0.000003697   -0.000005019
     78        6          -0.000006280   -0.000010191    0.000027705
     79        1           0.000006479    0.000003570   -0.000007463
     80        1           0.000003525    0.000003418   -0.000001957
     81        1          -0.000001526    0.000002291   -0.000001034
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000230004 RMS     0.000029858

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000202005 RMS     0.000014567
 Search for a local minimum.
 Step number  43 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43
 DE= -8.88D-07 DEPred=-6.67D-07 R= 1.33D+00
 Trust test= 1.33D+00 RLast= 1.96D-02 DXMaxT set to 3.00D+00
 ITU=  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  0  1  0
     Eigenvalues ---    0.00072   0.00104   0.00154   0.00199   0.00230
     Eigenvalues ---    0.00231   0.00233   0.00240   0.00301   0.00391
     Eigenvalues ---    0.00508   0.00525   0.00544   0.00640   0.00665
     Eigenvalues ---    0.00696   0.00789   0.00832   0.00880   0.00926
     Eigenvalues ---    0.01139   0.01229   0.01308   0.01335   0.01431
     Eigenvalues ---    0.01535   0.01621   0.01755   0.01763   0.01801
     Eigenvalues ---    0.01812   0.01861   0.01915   0.01938   0.02028
     Eigenvalues ---    0.02035   0.02104   0.02266   0.02283   0.02288
     Eigenvalues ---    0.02334   0.02446   0.02499   0.02627   0.03015
     Eigenvalues ---    0.03232   0.03450   0.03759   0.03929   0.03997
     Eigenvalues ---    0.04050   0.04137   0.04247   0.04319   0.04484
     Eigenvalues ---    0.04810   0.04839   0.04921   0.05220   0.05284
     Eigenvalues ---    0.05344   0.05382   0.05391   0.05404   0.05429
     Eigenvalues ---    0.05463   0.05509   0.05512   0.05528   0.05546
     Eigenvalues ---    0.05640   0.06035   0.06318   0.06597   0.06893
     Eigenvalues ---    0.07298   0.07478   0.07665   0.07749   0.08301
     Eigenvalues ---    0.08423   0.08685   0.09197   0.09327   0.09479
     Eigenvalues ---    0.09673   0.10056   0.10355   0.10628   0.10964
     Eigenvalues ---    0.11974   0.12279   0.12457   0.12875   0.12954
     Eigenvalues ---    0.13072   0.13308   0.13824   0.14335   0.15019
     Eigenvalues ---    0.15330   0.15806   0.15839   0.15906   0.15953
     Eigenvalues ---    0.15978   0.15988   0.15989   0.15994   0.15996
     Eigenvalues ---    0.15998   0.16000   0.16003   0.16003   0.16005
     Eigenvalues ---    0.16007   0.16011   0.16013   0.16024   0.16030
     Eigenvalues ---    0.16045   0.16056   0.16069   0.16091   0.16117
     Eigenvalues ---    0.16185   0.16230   0.16315   0.16437   0.16476
     Eigenvalues ---    0.16757   0.18057   0.20400   0.20558   0.21154
     Eigenvalues ---    0.21414   0.22073   0.22376   0.22482   0.22818
     Eigenvalues ---    0.22963   0.23067   0.23217   0.23581   0.23894
     Eigenvalues ---    0.24021   0.24313   0.24483   0.24666   0.25095
     Eigenvalues ---    0.25251   0.26252   0.27429   0.27681   0.28180
     Eigenvalues ---    0.28242   0.28356   0.28989   0.29319   0.29748
     Eigenvalues ---    0.30697   0.30842   0.31535   0.31624   0.31919
     Eigenvalues ---    0.33566   0.33626   0.33635   0.33663   0.33673
     Eigenvalues ---    0.33758   0.33803   0.33846   0.33866   0.33916
     Eigenvalues ---    0.33936   0.33944   0.33985   0.33996   0.34010
     Eigenvalues ---    0.34034   0.34042   0.34082   0.34084   0.34118
     Eigenvalues ---    0.34139   0.34168   0.34180   0.34190   0.34221
     Eigenvalues ---    0.34295   0.34304   0.34402   0.34627   0.35066
     Eigenvalues ---    0.35650   0.35765   0.36144   0.36234   0.36323
     Eigenvalues ---    0.36418   0.36538   0.36592   0.38886   0.39099
     Eigenvalues ---    0.39541   0.42307   0.42402   0.42810   0.44439
     Eigenvalues ---    0.45299   0.45425   0.45510   0.45583   0.45595
     Eigenvalues ---    0.45637   0.46022   0.46470   0.49102   0.49322
     Eigenvalues ---    0.49691   0.49838   0.50742   0.52581   0.54485
     Eigenvalues ---    0.54950   0.55088   0.56898   0.67007   0.73066
     Eigenvalues ---    0.766311000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    43   42   41   40   39
 RFO step:  Lambda=-2.08627341D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.52928   -0.31943   -0.33595   -0.02095    0.14705
 Iteration  1 RMS(Cart)=  0.00140612 RMS(Int)=  0.00000155
 Iteration  2 RMS(Cart)=  0.00000171 RMS(Int)=  0.00000032
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000032
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00002   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762  -0.00001   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498  -0.00001   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00004   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00000   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969  -0.00001   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00001   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00001   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00002   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93028   0.00002  -0.00004   0.00002  -0.00002   2.93025
    R2        2.07164   0.00000  -0.00002   0.00000  -0.00002   2.07161
    R3        2.07032   0.00003  -0.00004   0.00003  -0.00001   2.07031
    R4        2.07653   0.00003  -0.00006   0.00003  -0.00003   2.07650
    R5        2.84154   0.00000  -0.00003  -0.00001  -0.00004   2.84150
    R6        2.06966   0.00003  -0.00007   0.00002  -0.00004   2.06961
    R7        2.07958   0.00003  -0.00009   0.00003  -0.00006   2.07952
    R8        2.62088  -0.00001  -0.00003   0.00000  -0.00003   2.62085
    R9        2.65397   0.00000   0.00000  -0.00001  -0.00001   2.65396
   R10        2.65857  -0.00003   0.00008  -0.00003   0.00005   2.65862
   R11        2.04225  -0.00001   0.00003   0.00000   0.00002   2.04228
   R12        2.59508   0.00004  -0.00003   0.00002  -0.00001   2.59506
   R13        1.91173   0.00000   0.00000   0.00000   0.00000   1.91173
   R14        2.53417  -0.00001   0.00000   0.00001   0.00001   2.53418
   R15        2.03609   0.00000   0.00001   0.00000   0.00000   2.03610
   R16        4.14843  -0.00001   0.00006  -0.00033  -0.00028   4.14816
   R17        2.91866   0.00001  -0.00002   0.00001  -0.00002   2.91864
   R18        2.07385  -0.00001   0.00000  -0.00001  -0.00001   2.07385
   R19        2.07753   0.00000  -0.00002   0.00001  -0.00001   2.07752
   R20        2.07566   0.00001   0.00002   0.00001   0.00004   2.07569
   R21        2.92660   0.00001   0.00002   0.00001   0.00003   2.92663
   R22        2.07734   0.00000   0.00000   0.00000   0.00001   2.07734
   R23        2.07300  -0.00001   0.00001  -0.00001   0.00000   2.07300
   R24        2.88444   0.00003   0.00004   0.00002   0.00007   2.88451
   R25        2.07114   0.00001   0.00001   0.00000   0.00000   2.07115
   R26        2.07730   0.00000  -0.00001   0.00000  -0.00001   2.07728
   R27        2.40922   0.00002   0.00006   0.00007   0.00013   2.40935
   R28        2.52669   0.00004  -0.00016  -0.00003  -0.00019   2.52650
   R29        4.11296  -0.00001  -0.00153  -0.00227  -0.00380   4.10915
   R30        2.55937   0.00020   0.00056   0.00067   0.00124   2.56060
   R31        2.91608   0.00000  -0.00001   0.00000  -0.00002   2.91606
   R32        2.07171   0.00000   0.00002   0.00000   0.00002   2.07173
   R33        2.07040   0.00000   0.00000   0.00000  -0.00001   2.07039
   R34        2.07361   0.00000  -0.00002   0.00000  -0.00002   2.07359
   R35        2.84642   0.00000  -0.00001   0.00001   0.00000   2.84642
   R36        2.07940   0.00000   0.00002   0.00001   0.00003   2.07943
   R37        2.08020   0.00001  -0.00001   0.00001   0.00000   2.08020
   R38        2.62017   0.00002   0.00003   0.00001   0.00004   2.62021
   R39        2.65651  -0.00003  -0.00004  -0.00002  -0.00006   2.65644
   R40        2.65625  -0.00001  -0.00001   0.00000   0.00000   2.65625
   R41        2.03517   0.00000   0.00001   0.00000   0.00001   2.03518
   R42        2.59516   0.00001   0.00001   0.00000   0.00001   2.59517
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53230   0.00000  -0.00001   0.00000  -0.00001   2.53229
   R45        2.03600   0.00000  -0.00002   0.00000  -0.00002   2.03598
   R46        4.06677   0.00001   0.00018  -0.00005   0.00013   4.06690
   R47        2.91825  -0.00001  -0.00001  -0.00002  -0.00003   2.91823
   R48        2.07258   0.00000  -0.00001   0.00000   0.00000   2.07257
   R49        2.07232   0.00001   0.00002   0.00001   0.00003   2.07235
   R50        2.07053   0.00000  -0.00001   0.00000  -0.00001   2.07051
   R51        2.84442   0.00000  -0.00002   0.00000  -0.00001   2.84440
   R52        2.07855   0.00000   0.00000   0.00000   0.00000   2.07855
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62227  -0.00001   0.00001   0.00000   0.00001   2.62228
   R55        2.65340   0.00002  -0.00001   0.00002   0.00001   2.65341
   R56        2.64850   0.00001  -0.00004   0.00002  -0.00002   2.64848
   R57        2.03588   0.00000  -0.00001   0.00000   0.00000   2.03587
   R58        2.60141   0.00001   0.00000   0.00000   0.00000   2.60141
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52696  -0.00001   0.00002  -0.00001   0.00002   2.52697
   R61        2.03644   0.00000   0.00001   0.00000   0.00000   2.03644
   R62        4.04292   0.00005  -0.00045   0.00025  -0.00020   4.04272
   R63        3.83466   0.00001  -0.00033   0.00005  -0.00028   3.83438
   R64        4.51304  -0.00005  -0.00141   0.00018  -0.00123   4.51180
   R65        4.33780   0.00001   0.00187   0.00043   0.00230   4.34010
   R66        1.85936  -0.00002   0.00001   0.00005   0.00007   1.85943
   R67        2.09141  -0.00009  -0.00015  -0.00035  -0.00049   2.09091
   R68        2.39605   0.00002   0.00007   0.00001   0.00007   2.39612
   R69        2.58368   0.00000  -0.00016   0.00001  -0.00015   2.58353
   R70        2.86886  -0.00001   0.00009  -0.00003   0.00007   2.86892
   R71        2.76845  -0.00001  -0.00003  -0.00005  -0.00008   2.76837
   R72        1.91408   0.00000   0.00000   0.00000   0.00000   1.91408
   R73        2.90185   0.00002   0.00006   0.00003   0.00009   2.90194
   R74        2.07417   0.00000   0.00000   0.00000   0.00000   2.07417
   R75        2.06955   0.00000   0.00000   0.00000   0.00000   2.06955
   R76        2.41234   0.00000  -0.00008   0.00000  -0.00007   2.41226
   R77        2.55047   0.00000   0.00002  -0.00001   0.00001   2.55048
   R78        1.91790   0.00000   0.00001  -0.00001   0.00000   1.91789
   R79        2.78901   0.00000  -0.00010   0.00001  -0.00009   2.78892
   R80        2.06897   0.00000   0.00003   0.00001   0.00004   2.06901
   R81        2.06327   0.00000  -0.00002   0.00000  -0.00002   2.06326
   R82        2.07182   0.00000   0.00001   0.00000   0.00001   2.07183
   R83        2.07201   0.00001   0.00000   0.00000   0.00000   2.07201
   R84        2.06860   0.00000  -0.00001   0.00000  -0.00001   2.06859
   R85        2.06896   0.00000  -0.00001   0.00000   0.00000   2.06895
    A1        1.92400  -0.00001   0.00005  -0.00003   0.00002   1.92402
    A2        1.93530   0.00000  -0.00003   0.00000  -0.00003   1.93526
    A3        1.95293   0.00000   0.00000   0.00001   0.00001   1.95294
    A4        1.88818   0.00000  -0.00002   0.00000  -0.00002   1.88816
    A5        1.87362   0.00000  -0.00003   0.00001  -0.00002   1.87360
    A6        1.88746   0.00000   0.00003   0.00001   0.00004   1.88750
    A7        1.98628   0.00001  -0.00012   0.00001  -0.00011   1.98617
    A8        1.90953  -0.00001   0.00001  -0.00001  -0.00001   1.90952
    A9        1.90663   0.00000  -0.00001   0.00001   0.00001   1.90664
   A10        1.88024   0.00000  -0.00002  -0.00002  -0.00004   1.88020
   A11        1.91997  -0.00001   0.00011  -0.00002   0.00010   1.92006
   A12        1.85661   0.00000   0.00004   0.00002   0.00006   1.85667
   A13        2.30437  -0.00002  -0.00009  -0.00005  -0.00014   2.30423
   A14        2.14692   0.00001   0.00008   0.00003   0.00010   2.14702
   A15        1.83190   0.00001   0.00001   0.00002   0.00004   1.83193
   A16        1.91606   0.00000  -0.00001  -0.00003  -0.00004   1.91602
   A17        2.24290   0.00000  -0.00002  -0.00005  -0.00007   2.24283
   A18        2.12413   0.00000   0.00004   0.00008   0.00012   2.12425
   A19        1.89593  -0.00001   0.00001   0.00000   0.00000   1.89594
   A20        2.19115   0.00000   0.00007   0.00001   0.00008   2.19122
   A21        2.19602   0.00000  -0.00008   0.00000  -0.00008   2.19594
   A22        1.92289  -0.00002   0.00002  -0.00003  -0.00001   1.92288
   A23        2.16197   0.00001  -0.00001   0.00000   0.00000   2.16197
   A24        2.19830   0.00001  -0.00001   0.00003   0.00002   2.19832
   A25        1.85799   0.00002  -0.00002   0.00004   0.00002   1.85801
   A26        2.21750   0.00003   0.00002   0.00005   0.00007   2.21757
   A27        2.20715  -0.00005   0.00002  -0.00009  -0.00006   2.20709
   A28        1.93558   0.00001   0.00005   0.00005   0.00010   1.93569
   A29        1.93457   0.00000   0.00001  -0.00001   0.00000   1.93457
   A30        1.93430   0.00000  -0.00002  -0.00003  -0.00005   1.93425
   A31        1.88909   0.00000   0.00002   0.00002   0.00003   1.88913
   A32        1.88566   0.00000  -0.00001  -0.00001  -0.00003   1.88564
   A33        1.88277   0.00000  -0.00005  -0.00002  -0.00007   1.88271
   A34        1.97108   0.00000   0.00010  -0.00001   0.00010   1.97117
   A35        1.91274  -0.00001  -0.00001  -0.00002  -0.00004   1.91270
   A36        1.91151   0.00001   0.00001   0.00001   0.00002   1.91153
   A37        1.90051   0.00001  -0.00004   0.00003  -0.00001   1.90050
   A38        1.89044  -0.00001  -0.00005  -0.00004  -0.00008   1.89035
   A39        1.87502   0.00000  -0.00002   0.00003   0.00002   1.87504
   A40        1.94209  -0.00002  -0.00002  -0.00004  -0.00006   1.94204
   A41        1.94091   0.00000   0.00002  -0.00003  -0.00001   1.94090
   A42        1.90356   0.00002  -0.00007   0.00004  -0.00004   1.90352
   A43        1.90338   0.00001   0.00006   0.00000   0.00006   1.90344
   A44        1.88783   0.00000  -0.00002   0.00004   0.00002   1.88785
   A45        1.88442  -0.00001   0.00003   0.00000   0.00003   1.88445
   A46        2.10624  -0.00001  -0.00018  -0.00006  -0.00023   2.10600
   A47        2.04002   0.00000   0.00012   0.00005   0.00016   2.04018
   A48        2.13632   0.00001   0.00006   0.00002   0.00008   2.13640
   A49        1.81311   0.00000   0.00006   0.00011   0.00017   1.81328
   A50        1.84368  -0.00002  -0.00003  -0.00010  -0.00013   1.84355
   A51        1.93805   0.00001  -0.00003   0.00001  -0.00003   1.93802
   A52        1.92250  -0.00001  -0.00003   0.00000  -0.00004   1.92246
   A53        1.94219   0.00000   0.00005  -0.00001   0.00004   1.94223
   A54        1.88589   0.00000  -0.00002   0.00000  -0.00003   1.88586
   A55        1.89178   0.00000   0.00000   0.00000   0.00000   1.89178
   A56        1.88153   0.00000   0.00003   0.00001   0.00005   1.88158
   A57        1.97636   0.00002   0.00005   0.00007   0.00013   1.97649
   A58        1.90135   0.00000  -0.00006  -0.00001  -0.00007   1.90128
   A59        1.90738  -0.00001   0.00004  -0.00003   0.00001   1.90739
   A60        1.90439  -0.00001  -0.00007  -0.00004  -0.00011   1.90428
   A61        1.91288   0.00000   0.00006   0.00001   0.00008   1.91296
   A62        1.85769   0.00000  -0.00004   0.00000  -0.00004   1.85765
   A63        2.32064   0.00002  -0.00001   0.00007   0.00006   2.32070
   A64        2.13640  -0.00002   0.00000  -0.00007  -0.00006   2.13633
   A65        1.82602   0.00000   0.00000   0.00000  -0.00001   1.82601
   A66        1.91816   0.00000  -0.00001   0.00000  -0.00001   1.91814
   A67        2.24627  -0.00001   0.00001  -0.00005  -0.00004   2.24623
   A68        2.11811   0.00001   0.00001   0.00005   0.00006   2.11817
   A69        1.90201   0.00000   0.00002   0.00001   0.00003   1.90204
   A70        2.18845   0.00000   0.00001   0.00001   0.00001   2.18846
   A71        2.19225   0.00000  -0.00003  -0.00001  -0.00004   2.19221
   A72        1.91673   0.00000  -0.00002   0.00000  -0.00002   1.91671
   A73        2.18691  -0.00001  -0.00001  -0.00001  -0.00001   2.18690
   A74        2.17881   0.00000   0.00003   0.00000   0.00003   2.17884
   A75        1.86184   0.00000   0.00002  -0.00001   0.00001   1.86185
   A76        2.20009  -0.00002  -0.00006   0.00004  -0.00002   2.20007
   A77        2.19574   0.00002   0.00003  -0.00001   0.00002   2.19577
   A78        1.94201   0.00000  -0.00001   0.00002   0.00001   1.94202
   A79        1.94043   0.00000   0.00004   0.00000   0.00004   1.94047
   A80        1.92528   0.00001   0.00000   0.00002   0.00003   1.92530
   A81        1.89023   0.00000  -0.00002  -0.00001  -0.00003   1.89020
   A82        1.87709   0.00000   0.00001   0.00000   0.00000   1.87710
   A83        1.88665  -0.00001  -0.00004  -0.00002  -0.00005   1.88660
   A84        1.95888   0.00000  -0.00001   0.00002   0.00001   1.95889
   A85        1.90782   0.00000   0.00000  -0.00001  -0.00001   1.90782
   A86        1.90628   0.00000   0.00001   0.00003   0.00003   1.90632
   A87        1.91232   0.00000   0.00003  -0.00002   0.00001   1.91233
   A88        1.91959   0.00000  -0.00003  -0.00002  -0.00005   1.91955
   A89        1.85607   0.00000   0.00000   0.00000  -0.00001   1.85606
   A90        2.30196   0.00002  -0.00001   0.00008   0.00006   2.30202
   A91        2.15477  -0.00002   0.00001  -0.00007  -0.00006   2.15471
   A92        1.82643   0.00000   0.00001  -0.00001   0.00000   1.82643
   A93        1.91778   0.00000  -0.00002   0.00001  -0.00001   1.91778
   A94        2.24955   0.00000   0.00004  -0.00001   0.00003   2.24958
   A95        2.11585   0.00000  -0.00002   0.00000  -0.00003   2.11582
   A96        1.89976   0.00000   0.00001   0.00000   0.00001   1.89978
   A97        2.19049  -0.00001  -0.00001  -0.00002  -0.00003   2.19046
   A98        2.19281   0.00001   0.00000   0.00002   0.00002   2.19283
   A99        1.91544   0.00000  -0.00004   0.00001  -0.00003   1.91541
   A100       2.18937  -0.00001   0.00000   0.00000   0.00000   2.18937
   A101       2.17810   0.00001   0.00003  -0.00001   0.00002   2.17812
   A102       1.86533   0.00000   0.00004  -0.00001   0.00002   1.86535
   A103       2.21201  -0.00002   0.00010   0.00006   0.00016   2.21217
   A104       2.19114   0.00001  -0.00014  -0.00008  -0.00022   2.19092
   A105       1.71458   0.00000   0.00032   0.00020   0.00052   1.71510
   A106       1.56068   0.00001  -0.00028   0.00019  -0.00009   1.56059
   A107       1.68686  -0.00002  -0.00005   0.00001  -0.00004   1.68681
   A108       3.00355   0.00002  -0.00001   0.00004   0.00004   3.00358
   A109       1.66401   0.00000  -0.00010  -0.00001  -0.00010   1.66390
   A110       1.72206  -0.00001  -0.00017   0.00005  -0.00013   1.72193
   A111       1.61285   0.00000   0.00025   0.00009   0.00034   1.61319
   A112       1.48549  -0.00001  -0.00018  -0.00007  -0.00025   1.48524
   A113       2.89519   0.00000  -0.00017  -0.00016  -0.00033   2.89486
   A114       2.90590   0.00001   0.00009  -0.00026  -0.00018   2.90572
   A115       1.44820   0.00000   0.00033  -0.00010   0.00022   1.44842
   A116       1.48835   0.00000   0.00008  -0.00017  -0.00009   1.48826
   A117       1.57675   0.00000  -0.00003  -0.00013  -0.00016   1.57658
   A118       1.43403   0.00000  -0.00011  -0.00004  -0.00015   1.43389
   A119       1.42962   0.00001  -0.00007  -0.00014  -0.00021   1.42941
   A120       2.10390   0.00004   0.00042   0.00020   0.00062   2.10452
   A121       2.17928  -0.00001  -0.00004  -0.00010  -0.00014   2.17915
   A122       1.76818  -0.00002  -0.00015  -0.00036  -0.00051   1.76767
   A123       2.07411   0.00005   0.00059   0.00086   0.00145   2.07556
   A124       2.91085  -0.00001  -0.00045  -0.00044  -0.00089   2.90996
   A125       2.13134  -0.00002   0.00013  -0.00007   0.00006   2.13140
   A126       2.11461   0.00000  -0.00016   0.00004  -0.00012   2.11449
   A127       2.03709   0.00002   0.00003   0.00003   0.00006   2.03715
   A128       2.29639   0.00002  -0.00016  -0.00003  -0.00019   2.29620
   A129       2.14575  -0.00001   0.00016  -0.00010   0.00006   2.14581
   A130       2.07011   0.00000  -0.00010   0.00005  -0.00004   2.07006
   A131       2.06699   0.00001  -0.00004   0.00005   0.00001   2.06700
   A132       1.98068   0.00001  -0.00008  -0.00001  -0.00009   1.98059
   A133       1.90321   0.00000  -0.00004   0.00001  -0.00003   1.90318
   A134       1.90231   0.00000   0.00001  -0.00001   0.00000   1.90232
   A135       1.81973   0.00000   0.00005   0.00005   0.00009   1.81982
   A136       1.94932  -0.00001   0.00005  -0.00005   0.00000   1.94933
   A137       1.90576   0.00000   0.00001   0.00001   0.00002   1.90578
   A138       2.09863   0.00001  -0.00005   0.00005   0.00000   2.09863
   A139       2.03154  -0.00004  -0.00009  -0.00009  -0.00018   2.03136
   A140       2.15089   0.00002   0.00015   0.00003   0.00018   2.15107
   A141       2.07265  -0.00004  -0.00044  -0.00022  -0.00066   2.07199
   A142       2.06335  -0.00002  -0.00004  -0.00001  -0.00005   2.06330
   A143       2.16060   0.00004   0.00009   0.00011   0.00020   2.16080
   A144       2.03942  -0.00002  -0.00005  -0.00001  -0.00006   2.03936
   A145       1.91465   0.00000   0.00009   0.00004   0.00013   1.91478
   A146       1.89484   0.00001   0.00000  -0.00002  -0.00002   1.89483
   A147       1.90500  -0.00001  -0.00002  -0.00001  -0.00003   1.90497
   A148       1.91106  -0.00001   0.00005  -0.00004   0.00001   1.91107
   A149       1.93002   0.00000  -0.00011   0.00002  -0.00009   1.92993
   A150       1.90789   0.00001  -0.00001   0.00000  -0.00001   1.90788
   A151       1.90444  -0.00001  -0.00012  -0.00004  -0.00016   1.90427
   A152       1.90421   0.00000  -0.00002   0.00002   0.00000   1.90422
   A153       1.97698   0.00000   0.00005   0.00000   0.00006   1.97703
   A154       1.87638   0.00001   0.00005   0.00001   0.00005   1.87643
   A155       1.89336   0.00000   0.00002   0.00000   0.00002   1.89337
   A156       1.90588   0.00000   0.00002   0.00001   0.00003   1.90591
    D1        3.11049   0.00000  -0.00014   0.00007  -0.00007   3.11042
    D2        1.00646   0.00000  -0.00004   0.00009   0.00006   1.00652
    D3       -1.01948   0.00000  -0.00009   0.00007  -0.00002  -1.01949
    D4        1.01994   0.00000  -0.00012   0.00009  -0.00004   1.01990
    D5       -1.08410   0.00000  -0.00002   0.00011   0.00009  -1.08400
    D6       -3.11003   0.00000  -0.00007   0.00008   0.00001  -3.11001
    D7       -1.08900   0.00000  -0.00015   0.00007  -0.00007  -1.08907
    D8        3.09015   0.00000  -0.00004   0.00010   0.00006   3.09021
    D9        1.06422   0.00000  -0.00009   0.00007  -0.00002   1.06420
   D10       -2.11816   0.00000   0.00054  -0.00022   0.00032  -2.11784
   D11        1.02383   0.00000   0.00006  -0.00020  -0.00013   1.02370
   D12        0.00224   0.00000   0.00045  -0.00024   0.00021   0.00245
   D13       -3.13896   0.00000  -0.00002  -0.00022  -0.00024  -3.13920
   D14        2.01909   0.00000   0.00055  -0.00024   0.00031   2.01940
   D15       -1.12211   0.00000   0.00007  -0.00021  -0.00014  -1.12225
   D16       -3.13967   0.00000  -0.00021   0.00008  -0.00012  -3.13979
   D17        0.01655   0.00000  -0.00070   0.00004  -0.00066   0.01589
   D18        0.00158   0.00000   0.00021   0.00006   0.00027   0.00185
   D19       -3.12539   0.00000  -0.00028   0.00002  -0.00027  -3.12565
   D20        3.14015  -0.00001   0.00034  -0.00025   0.00009   3.14024
   D21       -0.01445   0.00000  -0.00008   0.00003  -0.00005  -0.01450
   D22       -0.00114  -0.00001  -0.00003  -0.00023  -0.00026  -0.00140
   D23        3.12745   0.00000  -0.00045   0.00005  -0.00040   3.12705
   D24       -0.00145   0.00000  -0.00031   0.00013  -0.00018  -0.00164
   D25        3.10615   0.00000   0.00038   0.00026   0.00064   3.10680
   D26        3.12669   0.00000   0.00014   0.00017   0.00031   3.12700
   D27       -0.04889   0.00000   0.00083   0.00030   0.00114  -0.04775
   D28        0.00027   0.00001  -0.00017   0.00032   0.00015   0.00043
   D29       -3.13566   0.00000  -0.00010  -0.00002  -0.00012  -3.13578
   D30       -3.12827   0.00000   0.00025   0.00005   0.00029  -3.12798
   D31        0.01899  -0.00001   0.00032  -0.00030   0.00002   0.01900
   D32        0.00071   0.00000   0.00029  -0.00028   0.00002   0.00072
   D33       -3.10716  -0.00001  -0.00040  -0.00041  -0.00081  -3.10797
   D34        3.13649   0.00001   0.00022   0.00008   0.00030   3.13679
   D35        0.02862   0.00000  -0.00047  -0.00006  -0.00053   0.02810
   D36        1.94938   0.00000  -0.00063  -0.00049  -0.00112   1.94826
   D37       -2.61163  -0.00001  -0.00084  -0.00042  -0.00126  -2.61289
   D38        0.31891   0.00000  -0.00092  -0.00061  -0.00153   0.31738
   D39       -2.33343  -0.00001   0.00044   0.00071   0.00116  -2.33227
   D40       -1.12459  -0.00001  -0.00079  -0.00057  -0.00136  -1.12595
   D41       -1.23274   0.00000   0.00020  -0.00033  -0.00013  -1.23287
   D42        0.48944   0.00000  -0.00001  -0.00026  -0.00027   0.48917
   D43       -2.86322   0.00000  -0.00009  -0.00045  -0.00054  -2.86375
   D44        0.76764   0.00000   0.00127   0.00087   0.00215   0.76978
   D45        1.97647   0.00000   0.00004  -0.00041  -0.00037   1.97610
   D46        1.06311   0.00000  -0.00012   0.00010  -0.00002   1.06309
   D47       -3.09801   0.00000  -0.00011   0.00012   0.00000  -3.09801
   D48       -1.04522   0.00001  -0.00014   0.00015   0.00001  -1.04521
   D49       -1.03571  -0.00001  -0.00018   0.00005  -0.00013  -1.03584
   D50        1.08635   0.00000  -0.00018   0.00007  -0.00011   1.08624
   D51        3.13914   0.00000  -0.00020   0.00010  -0.00010   3.13904
   D52       -3.12574   0.00000  -0.00012   0.00010  -0.00002  -3.12576
   D53       -1.00368   0.00000  -0.00011   0.00012   0.00000  -1.00367
   D54        1.04911   0.00000  -0.00013   0.00015   0.00001   1.04913
   D55       -1.08516   0.00000  -0.00008   0.00020   0.00012  -1.08504
   D56        1.04056   0.00000  -0.00001   0.00016   0.00015   1.04071
   D57        3.11682   0.00000   0.00000   0.00016   0.00016   3.11698
   D58        3.06907   0.00000  -0.00010   0.00022   0.00011   3.06919
   D59       -1.08840   0.00001  -0.00003   0.00017   0.00014  -1.08825
   D60        0.98787   0.00000  -0.00002   0.00017   0.00015   0.98802
   D61        1.03512   0.00000  -0.00003   0.00018   0.00015   1.03527
   D62       -3.12234   0.00000   0.00004   0.00014   0.00018  -3.12217
   D63       -1.04608   0.00000   0.00005   0.00014   0.00019  -1.04589
   D64       -0.87820  -0.00001  -0.00056  -0.00056  -0.00111  -0.87932
   D65        2.22677  -0.00001  -0.00062  -0.00018  -0.00080   2.22597
   D66       -3.02558   0.00000  -0.00061  -0.00049  -0.00111  -3.02669
   D67        0.07939   0.00000  -0.00068  -0.00011  -0.00079   0.07860
   D68        1.21235   0.00000  -0.00067  -0.00051  -0.00118   1.21117
   D69       -1.96586   0.00001  -0.00074  -0.00013  -0.00087  -1.96672
   D70        2.98374   0.00001  -0.00015   0.00079   0.00064   2.98439
   D71       -0.11916   0.00001  -0.00008   0.00039   0.00031  -0.11885
   D72       -2.99409   0.00000   0.00028  -0.00039  -0.00011  -2.99420
   D73        0.11020   0.00000   0.00021   0.00000   0.00021   0.11040
   D74        0.00652  -0.00002  -0.00005  -0.00089  -0.00094   0.00558
   D75        0.24141  -0.00001  -0.00167  -0.00207  -0.00374   0.23767
   D76       -1.04731   0.00000  -0.00004   0.00008   0.00004  -1.04728
   D77        1.07511   0.00000  -0.00014   0.00006  -0.00007   1.07504
   D78        3.09819   0.00000  -0.00019   0.00004  -0.00016   3.09804
   D79       -3.13580   0.00000   0.00003   0.00009   0.00011  -3.13568
   D80       -1.01337   0.00000  -0.00007   0.00007   0.00000  -1.01336
   D81        1.00971   0.00000  -0.00012   0.00004  -0.00008   1.00963
   D82        1.06170   0.00000  -0.00003   0.00008   0.00005   1.06175
   D83       -3.09906   0.00000  -0.00012   0.00006  -0.00006  -3.09912
   D84       -1.07598   0.00000  -0.00018   0.00003  -0.00015  -1.07613
   D85       -0.09451   0.00001   0.00198   0.00143   0.00341  -0.09110
   D86        3.02678   0.00001   0.00143   0.00105   0.00248   3.02926
   D87       -2.21523   0.00000   0.00207   0.00143   0.00350  -2.21173
   D88        0.90606   0.00000   0.00152   0.00105   0.00257   0.90863
   D89        2.04010   0.00001   0.00212   0.00145   0.00357   2.04368
   D90       -1.12179   0.00000   0.00157   0.00107   0.00264  -1.11915
   D91        3.11937  -0.00001  -0.00055  -0.00028  -0.00083   3.11854
   D92        0.01655  -0.00001  -0.00071  -0.00027  -0.00098   0.01557
   D93       -0.00450   0.00000  -0.00007   0.00005  -0.00002  -0.00452
   D94       -3.10733   0.00000  -0.00023   0.00006  -0.00017  -3.10750
   D95       -3.11952   0.00000   0.00045   0.00017   0.00061  -3.11891
   D96       -0.00962   0.00001   0.00014   0.00043   0.00057  -0.00905
   D97        0.00671   0.00000   0.00003  -0.00012  -0.00009   0.00663
   D98        3.11661   0.00000  -0.00028   0.00014  -0.00013   3.11648
   D99        0.00064   0.00000   0.00008   0.00004   0.00012   0.00076
   D100      -2.91034  -0.00001   0.00014  -0.00007   0.00006  -2.91028
   D101       3.10681   0.00000   0.00023   0.00003   0.00026   3.10706
   D102       0.19582  -0.00001   0.00028  -0.00008   0.00020   0.19602
   D103      -0.00667   0.00000   0.00002   0.00015   0.00017  -0.00650
   D104       3.09528   0.00000  -0.00005   0.00005   0.00001   3.09529
   D105      -3.11648   0.00000   0.00033  -0.00011   0.00021  -3.11627
   D106      -0.01453  -0.00001   0.00026  -0.00021   0.00005  -0.01448
   D107       0.00369   0.00000  -0.00006  -0.00011  -0.00017   0.00352
   D108       2.91542   0.00000  -0.00013   0.00001  -0.00013   2.91529
   D109      -3.09848   0.00000   0.00001  -0.00002  -0.00001  -3.09849
   D110      -0.18675   0.00000  -0.00006   0.00010   0.00004  -0.18672
   D111      -0.47536   0.00001  -0.00100   0.00015  -0.00085  -0.47621
   D112      -2.05789   0.00000  -0.00073  -0.00008  -0.00081  -2.05870
   D113       1.21895   0.00000  -0.00100   0.00019  -0.00081   1.21814
   D114       2.79212   0.00000  -0.00105   0.00004  -0.00101   2.79111
   D115       2.38679   0.00002  -0.00012   0.00066   0.00054   2.38733
   D116       2.93960   0.00001  -0.00093   0.00002  -0.00091   2.93869
   D117       1.35708   0.00000  -0.00066  -0.00021  -0.00087   1.35620
   D118      -1.64927  -0.00001  -0.00093   0.00005  -0.00087  -1.65014
   D119      -0.07609  -0.00001  -0.00098  -0.00009  -0.00107  -0.07717
   D120      -0.48143   0.00001  -0.00005   0.00053   0.00048  -0.48095
   D121      -1.05704   0.00000   0.00004   0.00003   0.00007  -1.05696
   D122       3.10071   0.00000   0.00001   0.00005   0.00005   3.10076
   D123       1.07657   0.00000   0.00001   0.00004   0.00004   1.07662
   D124       1.05151   0.00000   0.00004   0.00003   0.00007   1.05158
   D125      -1.07393   0.00000   0.00001   0.00004   0.00005  -1.07388
   D126      -3.09806   0.00000   0.00001   0.00003   0.00004  -3.09802
   D127      -3.13888   0.00000   0.00003   0.00001   0.00005  -3.13883
   D128       1.01886   0.00000   0.00000   0.00003   0.00003   1.01889
   D129      -1.00527   0.00000   0.00000   0.00002   0.00002  -1.00525
   D130       0.36808   0.00001  -0.00026   0.00019  -0.00007   0.36801
   D131      -2.76506   0.00000  -0.00053   0.00019  -0.00034  -2.76540
   D132       2.49095   0.00001  -0.00024   0.00018  -0.00006   2.49089
   D133      -0.64218   0.00000  -0.00052   0.00018  -0.00033  -0.64252
   D134      -1.75795   0.00000  -0.00024   0.00015  -0.00009  -1.75804
   D135       1.39210   0.00000  -0.00052   0.00016  -0.00036   1.39174
   D136      -3.12692   0.00000  -0.00009  -0.00005  -0.00015  -3.12707
   D137       0.01281   0.00000  -0.00054   0.00001  -0.00053   0.01228
   D138       0.00738   0.00001   0.00014  -0.00006   0.00008   0.00746
   D139      -3.13608   0.00000  -0.00030   0.00000  -0.00030  -3.13637
   D140       3.12774   0.00000   0.00009   0.00010   0.00018   3.12792
   D141       0.00217   0.00000   0.00007   0.00013   0.00020   0.00237
   D142      -0.00735   0.00000  -0.00012   0.00010  -0.00002  -0.00737
   D143      -3.13291   0.00000  -0.00015   0.00014  -0.00001  -3.13292
   D144      -0.00473  -0.00001  -0.00011   0.00000  -0.00012  -0.00485
   D145       2.96043  -0.00001  -0.00018  -0.00018  -0.00035   2.96007
   D146       3.13855   0.00000   0.00029  -0.00006   0.00023   3.13879
   D147      -0.17947   0.00000   0.00022  -0.00023  -0.00001  -0.17948
   D148       0.00475   0.00000   0.00006  -0.00011  -0.00005   0.00470
   D149      -3.11254   0.00000   0.00015  -0.00008   0.00007  -3.11247
   D150       3.13029   0.00000   0.00008  -0.00014  -0.00006   3.13022
   D151       0.01299   0.00000   0.00017  -0.00012   0.00006   0.01305
   D152      -0.00006   0.00000   0.00003   0.00007   0.00010   0.00004
   D153      -2.96792   0.00001   0.00007   0.00022   0.00029  -2.96763
   D154       3.11742   0.00000  -0.00006   0.00004  -0.00002   3.11740
   D155       0.14957   0.00001  -0.00003   0.00020   0.00017   0.14973
   D156      -1.44177   0.00000  -0.00066   0.00018  -0.00047  -1.44224
   D157       0.27293   0.00000  -0.00038   0.00042   0.00004   0.27297
   D158       2.79960   0.00000   0.00074  -0.00020   0.00054   2.80014
   D159       1.73791   0.00000  -0.00049   0.00032  -0.00016   1.73775
   D160      -3.10694   0.00001  -0.00058   0.00021  -0.00038  -3.10732
   D161       1.49191   0.00000  -0.00071  -0.00001  -0.00072   1.49119
   D162      -3.07657   0.00000  -0.00044   0.00022  -0.00021  -3.07679
   D163      -0.54991   0.00000   0.00069  -0.00039   0.00029  -0.54962
   D164      -1.61160  -0.00001  -0.00054   0.00013  -0.00041  -1.61201
   D165      -0.17326   0.00000  -0.00064   0.00001  -0.00063  -0.17389
   D166       1.75374  -0.00001   0.00055   0.00013   0.00068   1.75442
   D167      -0.57662  -0.00001   0.00026   0.00065   0.00091  -0.57571
   D168       0.03309  -0.00001   0.00020  -0.00009   0.00011   0.03320
   D169      -2.29727  -0.00001  -0.00009   0.00043   0.00034  -2.29693
   D170      -2.50100   0.00000  -0.00088   0.00052  -0.00036  -2.50136
   D171       1.45183  -0.00001  -0.00117   0.00104  -0.00013   1.45170
   D172      -1.45257   0.00000   0.00038  -0.00001   0.00037  -1.45220
   D173       2.50026   0.00000   0.00009   0.00051   0.00060   2.50085
   D174      -2.88002  -0.00001   0.00044   0.00011   0.00056  -2.87946
   D175       1.07280  -0.00001   0.00016   0.00063   0.00079   1.07359
   D176       1.01843   0.00000  -0.00175  -0.00175  -0.00350   1.01493
   D177       3.03322  -0.00001  -0.00065  -0.00054  -0.00119   3.03203
   D178       1.29877   0.00000  -0.00047  -0.00060  -0.00107   1.29770
   D179      -1.63748  -0.00001  -0.00040  -0.00044  -0.00084  -1.63831
   D180      -0.20568   0.00000  -0.00051  -0.00046  -0.00097  -0.20665
   D181       2.08965  -0.00001  -0.00023  -0.00011  -0.00034   2.08930
   D182      -0.77423  -0.00001  -0.00112  -0.00063  -0.00175  -0.77598
   D183      -2.64066   0.00001  -0.00050   0.00006  -0.00044  -2.64110
   D184       0.41412   0.00001  -0.00018  -0.00012  -0.00030   0.41382
   D185      -1.18230   0.00001  -0.00018  -0.00001  -0.00019  -1.18249
   D186      -2.39664   0.00002  -0.00024   0.00088   0.00064  -2.39599
   D187       0.09297   0.00002  -0.00003   0.00051   0.00048   0.09345
   D188       2.09949   0.00002   0.00204   0.00139   0.00343   2.10292
   D189      -0.35166   0.00000   0.00158   0.00164   0.00323  -0.34843
   D190       0.89953   0.00001   0.00099   0.00053   0.00153   0.90105
   D191      -2.26115   0.00002   0.00065   0.00099   0.00164  -2.25951
   D192       0.07843   0.00000  -0.00057  -0.00007  -0.00064   0.07779
   D193      -3.09163   0.00001   0.00030   0.00025   0.00055  -3.09108
   D194      -3.04488  -0.00001  -0.00024  -0.00050  -0.00074  -3.04562
   D195       0.06825   0.00000   0.00062  -0.00018   0.00044   0.06869
   D196      -1.14870  -0.00001   0.00028  -0.00021   0.00007  -1.14863
   D197       0.89672   0.00000   0.00026  -0.00021   0.00005   0.89676
   D198       3.02352   0.00000   0.00031  -0.00018   0.00013   3.02365
   D199       1.97479   0.00000  -0.00004   0.00022   0.00018   1.97497
   D200      -2.26298   0.00000  -0.00006   0.00021   0.00015  -2.26282
   D201      -0.13617   0.00000  -0.00001   0.00025   0.00024  -0.13594
   D202      -1.44675   0.00000   0.00048   0.00004   0.00052  -1.44623
   D203       0.57316   0.00001   0.00046   0.00011   0.00057   0.57373
   D204       2.65219   0.00001   0.00046   0.00012   0.00058   2.65277
   D205       1.72326  -0.00001  -0.00039  -0.00028  -0.00066   1.72259
   D206      -2.54001   0.00000  -0.00040  -0.00021  -0.00062  -2.54063
   D207      -0.46099   0.00000  -0.00040  -0.00020  -0.00060  -0.46159
   D208       0.69910   0.00000  -0.00111  -0.00046  -0.00156   0.69754
   D209      -2.51033   0.00000  -0.00093  -0.00062  -0.00155  -2.51188
   D210      -1.36957  -0.00001  -0.00105  -0.00050  -0.00154  -1.37111
   D211       1.70418   0.00000  -0.00087  -0.00066  -0.00153   1.70265
   D212       2.85790   0.00000  -0.00111  -0.00051  -0.00162   2.85628
   D213      -0.35153   0.00000  -0.00094  -0.00067  -0.00161  -0.35314
   D214       1.00862   0.00000   0.00061   0.00050   0.00112   1.00974
   D215      -2.06031   0.00000   0.00044   0.00068   0.00112  -2.05919
   D216       0.00005   0.00001  -0.00008   0.00043   0.00035   0.00040
   D217      -2.92192  -0.00001  -0.00007  -0.00006  -0.00013  -2.92204
   D218       3.07157   0.00001   0.00009   0.00026   0.00035   3.07193
   D219       0.14960   0.00000   0.00010  -0.00023  -0.00012   0.14948
   D220      -2.44647   0.00000   0.00148   0.00110   0.00258  -2.44389
   D221      -0.35874   0.00000   0.00159   0.00107   0.00267  -0.35607
   D222       1.71953   0.00001   0.00157   0.00105   0.00263   1.72215
   D223       0.91197  -0.00001   0.00149   0.00062   0.00211   0.91409
   D224       2.99971  -0.00001   0.00160   0.00059   0.00219   3.00190
   D225      -1.20521   0.00000   0.00158   0.00057   0.00216  -1.20305
         Item               Value     Threshold  Converged?
 Maximum Force            0.000201     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.009106     0.001800     NO 
 RMS     Displacement     0.001406     0.001200     NO 
 Predicted change in Energy=-4.485151D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.069244    2.546328    3.555768
      2          6           0       -3.329567    1.187102    3.654846
      3          6           0       -2.080613    1.113758    2.820747
      4          6           0       -1.697001    0.261053    1.796436
      5          7           0       -1.002079    1.999370    2.978364
      6          6           0       -0.024820    1.666006    2.073021
      7          7           0       -0.414091    0.613408    1.338943
      8          6           0       -5.229556    0.900734    0.145682
      9          6           0       -5.871760   -0.172292   -0.760741
     10          6           0       -5.243084   -1.575263   -0.573860
     11          6           0       -3.763648   -1.573636   -0.949637
     12          8           0       -3.376227   -1.089435   -2.063646
     13          8           0       -2.908998   -2.059489   -0.043546
     14          6           0       -2.266616    4.234503   -2.989829
     15          6           0       -0.991106    3.838391   -3.762728
     16          6           0       -0.191038    2.761770   -3.077457
     17          6           0       -0.319829    2.122877   -1.853625
     18          7           0        0.932235    2.162964   -3.673916
     19          6           0        1.430116    1.204057   -2.826223
     20          7           0        0.691624    1.157560   -1.709020
     21          6           0        4.688193    4.003853    1.479492
     22          6           0        5.164472    2.625615    1.987779
     23          6           0        4.195294    1.526114    1.645145
     24          6           0        3.201896    1.433758    0.680675
     25          7           0        4.140468    0.301401    2.329715
     26          6           0        3.139525   -0.469373    1.782844
     27          7           0        2.554438    0.194773    0.780481
     28         30           0        0.757562   -0.394648   -0.219763
     29          1           0       -4.984288    2.524973    4.159098
     30          1           0       -4.348312    2.764395    2.519034
     31          1           0       -3.452011    3.376664    3.925908
     32          1           0       -3.997898    0.384263    3.325868
     33          1           0       -3.091116    0.979972    4.708981
     34          1           0       -2.251129   -0.557293    1.359150
     35          1           0       -0.959856    2.762743    3.640857
     36          1           0        0.915036    2.185525    1.985376
     37          1           0       -4.160559    1.012021   -0.076167
     38          1           0       -5.334596    0.630758    1.206205
     39          1           0       -5.711198    1.876651   -0.003009
     40          1           0       -6.949223   -0.234405   -0.551842
     41          1           0       -5.757115    0.119457   -1.811983
     42          1           0       -5.349318   -1.922749    0.460157
     43          1           0       -5.761838   -2.291079   -1.227203
     44          1           0       -2.935777    3.374736   -2.867664
     45          1           0       -2.811116    5.013834   -3.534355
     46          1           0       -2.023319    4.627973   -1.994815
     47          1           0       -1.275692    3.491347   -4.767426
     48          1           0       -0.362225    4.730140   -3.907776
     49          1           0       -1.072637    2.263677   -1.096448
     50          1           0        1.295619    2.383510   -4.592538
     51          1           0        2.264457    0.556750   -3.039877
     52          1           0        4.579244    4.009513    0.388174
     53          1           0        3.723598    4.278142    1.923273
     54          1           0        5.416587    4.778831    1.742821
     55          1           0        5.302992    2.668065    3.078117
     56          1           0        6.152551    2.402984    1.558641
     57          1           0        2.911281    2.157565   -0.062495
     58          1           0        4.730936    0.035936    3.107905
     59          1           0        2.850053   -1.450346    2.122259
     60          8           0       -0.791119   -1.393893   -1.068419
     61          1           0       -1.208476   -1.061408   -1.895135
     62          1           0       -1.672326   -1.777723   -0.520320
     63          6           0        2.983017   -2.522858   -1.577371
     64          8           0        2.284898   -1.472128   -1.705241
     65          7           0        2.438884   -3.713694   -1.183772
     66          6           0        1.001752   -3.901076   -0.970115
     67          6           0        0.523528   -3.438519    0.413910
     68          8           0        0.990003   -2.368653    0.930899
     69          7           0       -0.452606   -4.173046    0.987678
     70          1           0        0.449160   -3.265215   -1.673714
     71          1           0        0.747429   -4.949859   -1.156532
     72          1           0        3.053122   -4.508887   -1.056019
     73          1           0       -0.809442   -4.976600    0.480723
     74          6           0       -1.217484   -3.739404    2.173005
     75          1           0       -1.374363   -4.590981    2.843043
     76          1           0       -0.645888   -2.967598    2.692314
     77          1           0       -2.178097   -3.322479    1.848331
     78          6           0        4.470496   -2.519235   -1.881066
     79          1           0        4.617652   -2.337461   -2.952292
     80          1           0        4.944824   -1.695014   -1.338912
     81          1           0        4.968317   -3.457832   -1.616695
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968776      0.0726869      0.0659814
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4910.8387006134 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122054.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000123   -0.000072    0.000016 Ang=  -0.02 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581603     A.U. after    8 cycles
            NFock=  8  Conv=0.45D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122054.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000006891   -0.000027180   -0.000007441
      3        6           0.000009874   -0.000025819   -0.000021639
      4        6          -0.000047281   -0.000003592    0.000010795
      5        7           0.000028782    0.000004397    0.000022169
      6        6          -0.000060257   -0.000003032   -0.000043936
      7        7           0.000075605    0.000052655    0.000001679
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000013120    0.000000838   -0.000029907
     10        6           0.000007892   -0.000010151    0.000003036
     11        6           0.000040572    0.000015977   -0.000070597
     12        8          -0.000003208   -0.000054059    0.000002360
     13        8           0.000098758    0.000135579    0.000097022
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000003818    0.000013552   -0.000016963
     16        6           0.000000482   -0.000001914    0.000012663
     17        6          -0.000012156    0.000019872    0.000014309
     18        7           0.000009992   -0.000003349   -0.000013342
     19        6           0.000024240    0.000000708    0.000002236
     20        7          -0.000031788   -0.000023912    0.000000177
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000001258   -0.000005007    0.000006847
     23        6           0.000025248   -0.000020714   -0.000010847
     24        6           0.000000911   -0.000010915    0.000008071
     25        7          -0.000017288    0.000022948    0.000004292
     26        6           0.000030840   -0.000014644    0.000019964
     27        7          -0.000079834    0.000028550    0.000006940
     28       30           0.000016058    0.000038420   -0.000047291
     29        1           0.000000080    0.000004721    0.000002124
     30        1           0.000016781   -0.000013294   -0.000026513
     31        1          -0.000011839   -0.000031025    0.000019332
     32        1           0.000018191    0.000031080   -0.000018273
     33        1          -0.000025863    0.000015251    0.000035681
     34        1          -0.000001103   -0.000020358   -0.000003965
     35        1           0.000001246    0.000010357    0.000009779
     36        1           0.000006332   -0.000003507   -0.000006444
     37        1           0.000009003    0.000001207   -0.000000815
     38        1           0.000000659    0.000004794    0.000007984
     39        1           0.000001022   -0.000000192   -0.000001417
     40        1           0.000000165   -0.000007456    0.000010925
     41        1          -0.000005357    0.000004727    0.000004632
     42        1           0.000003844    0.000004832    0.000004775
     43        1          -0.000013504    0.000010940    0.000003295
     44        1           0.000002602   -0.000000549    0.000005521
     45        1          -0.000000694   -0.000001727   -0.000002340
     46        1          -0.000006628   -0.000000971    0.000007495
     47        1          -0.000001379    0.000001666    0.000000088
     48        1          -0.000000536   -0.000004852    0.000006222
     49        1           0.000005484   -0.000004404   -0.000009600
     50        1          -0.000007120   -0.000017026    0.000010348
     51        1           0.000003486    0.000007679   -0.000010695
     52        1           0.000001534   -0.000001790   -0.000001105
     53        1          -0.000001189    0.000000929   -0.000000027
     54        1          -0.000000396   -0.000006948    0.000001574
     55        1          -0.000003798    0.000003628   -0.000000857
     56        1           0.000001499   -0.000002310   -0.000001403
     57        1          -0.000004141   -0.000001386   -0.000003681
     58        1           0.000001792   -0.000004218    0.000002975
     59        1          -0.000013338   -0.000000517   -0.000009973
     60        8           0.000085646    0.000025128    0.000021451
     61        1           0.000039588    0.000055936    0.000003893
     62        1          -0.000236344   -0.000183296   -0.000071054
     63        6          -0.000057452   -0.000086941    0.000002955
     64        8           0.000056757    0.000040697    0.000026961
     65        7           0.000000901    0.000050667   -0.000007904
     66        6           0.000004915   -0.000020817   -0.000016685
     67        6           0.000007726   -0.000002556   -0.000017412
     68        8          -0.000021786   -0.000027481    0.000058508
     69        7           0.000006753   -0.000021311   -0.000028597
     70        1          -0.000005420    0.000006041   -0.000000696
     71        1           0.000004953    0.000005237    0.000008396
     72        1          -0.000001470    0.000003165   -0.000004930
     73        1          -0.000013597    0.000009457    0.000007057
     74        6           0.000019064    0.000014585    0.000013247
     75        1          -0.000005257   -0.000001932   -0.000000205
     76        1          -0.000005776    0.000004878    0.000008834
     77        1          -0.000000385   -0.000011934    0.000000543
     78        6           0.000021298    0.000004147    0.000008832
     79        1          -0.000006651   -0.000001610   -0.000007291
     80        1           0.000006259    0.000002567   -0.000000490
     81        1          -0.000001224    0.000004666   -0.000001119
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000236344 RMS     0.000030962

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000188155 RMS     0.000014943
 Search for a local minimum.
 Step number  44 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
 DE= -4.32D-07 DEPred=-4.49D-07 R= 9.63D-01
 Trust test= 9.63D-01 RLast= 1.56D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  0  1  0
     Eigenvalues ---    0.00070   0.00104   0.00141   0.00201   0.00230
     Eigenvalues ---    0.00231   0.00233   0.00240   0.00308   0.00392
     Eigenvalues ---    0.00441   0.00523   0.00543   0.00614   0.00655
     Eigenvalues ---    0.00692   0.00781   0.00835   0.00865   0.00925
     Eigenvalues ---    0.01132   0.01232   0.01277   0.01342   0.01425
     Eigenvalues ---    0.01525   0.01616   0.01759   0.01773   0.01787
     Eigenvalues ---    0.01811   0.01910   0.01929   0.01976   0.02022
     Eigenvalues ---    0.02059   0.02124   0.02206   0.02268   0.02323
     Eigenvalues ---    0.02334   0.02458   0.02491   0.02634   0.03023
     Eigenvalues ---    0.03318   0.03453   0.03767   0.03899   0.03983
     Eigenvalues ---    0.04058   0.04143   0.04246   0.04333   0.04503
     Eigenvalues ---    0.04834   0.04845   0.04955   0.05211   0.05276
     Eigenvalues ---    0.05334   0.05381   0.05391   0.05398   0.05430
     Eigenvalues ---    0.05460   0.05509   0.05511   0.05525   0.05552
     Eigenvalues ---    0.05602   0.05987   0.06319   0.06465   0.06897
     Eigenvalues ---    0.07279   0.07479   0.07678   0.07803   0.08305
     Eigenvalues ---    0.08414   0.08686   0.09196   0.09323   0.09481
     Eigenvalues ---    0.09676   0.10034   0.10345   0.10627   0.10981
     Eigenvalues ---    0.11942   0.12246   0.12448   0.12861   0.12941
     Eigenvalues ---    0.13050   0.13357   0.13683   0.14329   0.15031
     Eigenvalues ---    0.15093   0.15818   0.15868   0.15897   0.15932
     Eigenvalues ---    0.15976   0.15986   0.15989   0.15994   0.15996
     Eigenvalues ---    0.15997   0.16000   0.16003   0.16003   0.16006
     Eigenvalues ---    0.16009   0.16010   0.16015   0.16024   0.16032
     Eigenvalues ---    0.16046   0.16063   0.16085   0.16091   0.16110
     Eigenvalues ---    0.16173   0.16233   0.16315   0.16431   0.16501
     Eigenvalues ---    0.16687   0.18063   0.20458   0.20704   0.21001
     Eigenvalues ---    0.21179   0.22043   0.22374   0.22461   0.22798
     Eigenvalues ---    0.22943   0.23109   0.23220   0.23565   0.23887
     Eigenvalues ---    0.23972   0.24205   0.24437   0.24794   0.25103
     Eigenvalues ---    0.25122   0.25984   0.27353   0.27681   0.28163
     Eigenvalues ---    0.28237   0.28343   0.28863   0.29305   0.29850
     Eigenvalues ---    0.30764   0.30927   0.31539   0.31626   0.31915
     Eigenvalues ---    0.33559   0.33625   0.33632   0.33663   0.33673
     Eigenvalues ---    0.33742   0.33802   0.33838   0.33864   0.33916
     Eigenvalues ---    0.33933   0.33939   0.33985   0.33995   0.34011
     Eigenvalues ---    0.34017   0.34036   0.34079   0.34085   0.34102
     Eigenvalues ---    0.34137   0.34165   0.34181   0.34190   0.34213
     Eigenvalues ---    0.34295   0.34304   0.34386   0.34612   0.34943
     Eigenvalues ---    0.35653   0.35768   0.36069   0.36202   0.36252
     Eigenvalues ---    0.36355   0.36528   0.36565   0.38882   0.39097
     Eigenvalues ---    0.39584   0.42311   0.42445   0.42812   0.44189
     Eigenvalues ---    0.45267   0.45370   0.45512   0.45583   0.45606
     Eigenvalues ---    0.45647   0.45690   0.46467   0.49033   0.49296
     Eigenvalues ---    0.49636   0.49825   0.52071   0.52626   0.54534
     Eigenvalues ---    0.54943   0.55115   0.56819   0.67575   0.73307
     Eigenvalues ---    0.766171000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    44   43   42   41   40
 RFO step:  Lambda=-2.08771341D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.49027    0.02161   -0.80825    0.11704    0.17932
 Iteration  1 RMS(Cart)=  0.00131054 RMS(Int)=  0.00000184
 Iteration  2 RMS(Cart)=  0.00000233 RMS(Int)=  0.00000042
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000042
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00002   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762  -0.00002   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498  -0.00001   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00001   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00001   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969  -0.00001   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00001   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00000   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93025   0.00003   0.00001   0.00001   0.00001   2.93027
    R2        2.07161   0.00000  -0.00002   0.00000  -0.00002   2.07159
    R3        2.07031   0.00003   0.00000   0.00002   0.00002   2.07032
    R4        2.07650   0.00004  -0.00001   0.00002   0.00000   2.07650
    R5        2.84150   0.00001  -0.00002   0.00001   0.00000   2.84150
    R6        2.06961   0.00004  -0.00002   0.00002  -0.00001   2.06961
    R7        2.07952   0.00005  -0.00004   0.00003  -0.00001   2.07951
    R8        2.62085   0.00000  -0.00002   0.00000  -0.00002   2.62083
    R9        2.65396  -0.00001  -0.00001  -0.00001  -0.00002   2.65395
   R10        2.65862  -0.00004   0.00001  -0.00001  -0.00001   2.65861
   R11        2.04228  -0.00001   0.00002  -0.00001   0.00000   2.04228
   R12        2.59506   0.00004   0.00002   0.00002   0.00004   2.59510
   R13        1.91173   0.00000   0.00000   0.00000   0.00000   1.91173
   R14        2.53418  -0.00001   0.00000   0.00000   0.00000   2.53418
   R15        2.03610   0.00000   0.00000   0.00000   0.00000   2.03609
   R16        4.14816   0.00000  -0.00018  -0.00018  -0.00036   4.14780
   R17        2.91864   0.00002   0.00000   0.00002   0.00002   2.91866
   R18        2.07385  -0.00001  -0.00002   0.00000  -0.00002   2.07382
   R19        2.07752   0.00001  -0.00001   0.00001   0.00000   2.07752
   R20        2.07569   0.00000   0.00004   0.00000   0.00004   2.07573
   R21        2.92663   0.00001   0.00002   0.00002   0.00004   2.92667
   R22        2.07734   0.00000   0.00001  -0.00001   0.00000   2.07735
   R23        2.07300  -0.00001  -0.00001   0.00000  -0.00001   2.07299
   R24        2.88451   0.00001   0.00009  -0.00002   0.00006   2.88457
   R25        2.07115   0.00001   0.00002   0.00000   0.00001   2.07116
   R26        2.07728   0.00000  -0.00001  -0.00001  -0.00001   2.07727
   R27        2.40935   0.00002   0.00008   0.00007   0.00016   2.40951
   R28        2.52650   0.00007  -0.00012  -0.00002  -0.00014   2.52637
   R29        4.10915  -0.00001  -0.00187  -0.00262  -0.00448   4.10467
   R30        2.56060   0.00019   0.00084   0.00075   0.00159   2.56220
   R31        2.91606  -0.00001  -0.00001  -0.00001  -0.00002   2.91604
   R32        2.07173   0.00000   0.00002   0.00000   0.00002   2.07175
   R33        2.07039   0.00000  -0.00001   0.00000  -0.00001   2.07038
   R34        2.07359   0.00001  -0.00001   0.00000  -0.00001   2.07358
   R35        2.84642  -0.00001  -0.00003   0.00001  -0.00002   2.84640
   R36        2.07943   0.00000   0.00002   0.00000   0.00003   2.07945
   R37        2.08020   0.00001   0.00001   0.00000   0.00001   2.08020
   R38        2.62021   0.00001   0.00004   0.00000   0.00004   2.62025
   R39        2.65644  -0.00001  -0.00008   0.00001  -0.00007   2.65637
   R40        2.65625   0.00000  -0.00002   0.00001  -0.00001   2.65624
   R41        2.03518   0.00000   0.00001   0.00000   0.00001   2.03518
   R42        2.59517   0.00000   0.00002  -0.00001   0.00001   2.59519
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53229   0.00000  -0.00001   0.00000  -0.00001   2.53228
   R45        2.03598   0.00000  -0.00002   0.00000  -0.00002   2.03596
   R46        4.06690   0.00001   0.00015   0.00000   0.00015   4.06705
   R47        2.91823   0.00000  -0.00003  -0.00001  -0.00003   2.91819
   R48        2.07257   0.00000  -0.00001   0.00000   0.00000   2.07257
   R49        2.07235   0.00000   0.00003   0.00000   0.00003   2.07238
   R50        2.07051   0.00001  -0.00001   0.00000   0.00000   2.07051
   R51        2.84440   0.00001   0.00000   0.00000   0.00001   2.84441
   R52        2.07855   0.00000   0.00000   0.00000   0.00000   2.07855
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62228  -0.00001   0.00000  -0.00001   0.00000   2.62228
   R55        2.65341   0.00002   0.00002   0.00002   0.00003   2.65344
   R56        2.64848   0.00002  -0.00002   0.00003   0.00001   2.64849
   R57        2.03587   0.00000  -0.00001   0.00001   0.00000   2.03587
   R58        2.60141   0.00000   0.00000  -0.00001   0.00000   2.60141
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52697  -0.00001   0.00002  -0.00001   0.00001   2.52698
   R61        2.03644   0.00000   0.00000   0.00000   0.00000   2.03644
   R62        4.04272   0.00006   0.00002   0.00021   0.00023   4.04295
   R63        3.83438   0.00002  -0.00023   0.00002  -0.00022   3.83417
   R64        4.51180  -0.00004  -0.00129  -0.00007  -0.00136   4.51044
   R65        4.34010  -0.00001   0.00156   0.00046   0.00202   4.34212
   R66        1.85943   0.00000   0.00000   0.00008   0.00008   1.85951
   R67        2.09091  -0.00011  -0.00032  -0.00035  -0.00067   2.09025
   R68        2.39612   0.00000   0.00007  -0.00001   0.00006   2.39618
   R69        2.58353   0.00004  -0.00012   0.00004  -0.00009   2.58345
   R70        2.86892  -0.00002   0.00006  -0.00004   0.00002   2.86894
   R71        2.76837   0.00000  -0.00006  -0.00001  -0.00007   2.76830
   R72        1.91408   0.00000   0.00001   0.00000   0.00000   1.91409
   R73        2.90194   0.00001   0.00010   0.00002   0.00012   2.90205
   R74        2.07417  -0.00001  -0.00001  -0.00001  -0.00002   2.07415
   R75        2.06955   0.00000   0.00001   0.00000   0.00001   2.06956
   R76        2.41226   0.00001  -0.00007   0.00001  -0.00005   2.41221
   R77        2.55048   0.00000  -0.00001   0.00002   0.00000   2.55049
   R78        1.91789   0.00000   0.00000   0.00000   0.00000   1.91790
   R79        2.78892   0.00002  -0.00009   0.00003  -0.00006   2.78886
   R80        2.06901   0.00000   0.00003   0.00000   0.00003   2.06904
   R81        2.06326   0.00000  -0.00001   0.00000  -0.00001   2.06324
   R82        2.07183   0.00000   0.00002   0.00000   0.00001   2.07184
   R83        2.07201   0.00001   0.00001   0.00000   0.00001   2.07202
   R84        2.06859   0.00000  -0.00002   0.00000  -0.00002   2.06857
   R85        2.06895   0.00000   0.00000   0.00000   0.00000   2.06895
    A1        1.92402  -0.00001   0.00002  -0.00002   0.00000   1.92402
    A2        1.93526   0.00001  -0.00001   0.00000  -0.00001   1.93526
    A3        1.95294   0.00000   0.00002  -0.00001   0.00001   1.95294
    A4        1.88816   0.00000  -0.00003   0.00001  -0.00002   1.88814
    A5        1.87360   0.00000  -0.00004   0.00003  -0.00001   1.87359
    A6        1.88750   0.00000   0.00004  -0.00001   0.00003   1.88753
    A7        1.98617   0.00002  -0.00006   0.00007   0.00001   1.98618
    A8        1.90952  -0.00001  -0.00003  -0.00001  -0.00004   1.90948
    A9        1.90664   0.00000   0.00002  -0.00001   0.00001   1.90665
   A10        1.88020   0.00000  -0.00005   0.00002  -0.00003   1.88016
   A11        1.92006  -0.00002   0.00008  -0.00007   0.00001   1.92007
   A12        1.85667   0.00000   0.00005   0.00000   0.00004   1.85672
   A13        2.30423   0.00000  -0.00013   0.00001  -0.00012   2.30411
   A14        2.14702   0.00000   0.00010   0.00001   0.00011   2.14713
   A15        1.83193   0.00000   0.00003  -0.00001   0.00002   1.83195
   A16        1.91602   0.00001  -0.00002   0.00000  -0.00002   1.91600
   A17        2.24283   0.00000   0.00000  -0.00004  -0.00004   2.24279
   A18        2.12425  -0.00001   0.00002   0.00004   0.00006   2.12431
   A19        1.89594  -0.00001  -0.00001   0.00002   0.00001   1.89594
   A20        2.19122   0.00000   0.00006  -0.00003   0.00004   2.19126
   A21        2.19594   0.00001  -0.00005   0.00001  -0.00005   2.19589
   A22        1.92288  -0.00001  -0.00001  -0.00003  -0.00004   1.92284
   A23        2.16197   0.00001   0.00000   0.00001   0.00002   2.16199
   A24        2.19832   0.00000   0.00001   0.00001   0.00003   2.19835
   A25        1.85801   0.00001   0.00002   0.00002   0.00003   1.85804
   A26        2.21757   0.00003   0.00017  -0.00008   0.00010   2.21766
   A27        2.20709  -0.00005  -0.00016   0.00006  -0.00010   2.20698
   A28        1.93569   0.00000   0.00008   0.00002   0.00009   1.93578
   A29        1.93457   0.00000   0.00000   0.00000   0.00000   1.93456
   A30        1.93425   0.00000  -0.00006   0.00000  -0.00006   1.93418
   A31        1.88913   0.00000   0.00007  -0.00001   0.00007   1.88919
   A32        1.88564   0.00000  -0.00002  -0.00001  -0.00003   1.88561
   A33        1.88271   0.00000  -0.00007   0.00000  -0.00006   1.88264
   A34        1.97117  -0.00001   0.00009  -0.00001   0.00008   1.97125
   A35        1.91270  -0.00001  -0.00007  -0.00003  -0.00010   1.91260
   A36        1.91153   0.00001   0.00001   0.00002   0.00003   1.91156
   A37        1.90050   0.00001   0.00001   0.00000   0.00000   1.90050
   A38        1.89035   0.00000  -0.00007   0.00002  -0.00006   1.89029
   A39        1.87504   0.00000   0.00004   0.00000   0.00005   1.87508
   A40        1.94204   0.00000  -0.00006   0.00001  -0.00005   1.94199
   A41        1.94090  -0.00001   0.00003  -0.00001   0.00002   1.94092
   A42        1.90352   0.00002   0.00001   0.00002   0.00003   1.90355
   A43        1.90344   0.00001   0.00007   0.00000   0.00007   1.90351
   A44        1.88785  -0.00001  -0.00002  -0.00004  -0.00006   1.88779
   A45        1.88445   0.00000  -0.00003   0.00002  -0.00001   1.88444
   A46        2.10600   0.00001  -0.00023  -0.00003  -0.00026   2.10574
   A47        2.04018  -0.00001   0.00014  -0.00001   0.00013   2.04032
   A48        2.13640   0.00000   0.00010   0.00002   0.00011   2.13651
   A49        1.81328   0.00000   0.00004   0.00020   0.00024   1.81351
   A50        1.84355  -0.00002  -0.00006  -0.00012  -0.00018   1.84338
   A51        1.93802   0.00001   0.00000   0.00001   0.00000   1.93802
   A52        1.92246   0.00000  -0.00006   0.00001  -0.00005   1.92241
   A53        1.94223  -0.00001   0.00004  -0.00002   0.00001   1.94225
   A54        1.88586   0.00000   0.00000  -0.00002  -0.00002   1.88584
   A55        1.89178   0.00000  -0.00001   0.00000  -0.00001   1.89177
   A56        1.88158   0.00000   0.00004   0.00003   0.00006   1.88165
   A57        1.97649   0.00001   0.00008   0.00004   0.00013   1.97662
   A58        1.90128   0.00000  -0.00003  -0.00001  -0.00005   1.90123
   A59        1.90739  -0.00001   0.00000  -0.00002  -0.00002   1.90737
   A60        1.90428   0.00000  -0.00011  -0.00001  -0.00012   1.90416
   A61        1.91296   0.00000   0.00008  -0.00002   0.00007   1.91302
   A62        1.85765   0.00000  -0.00003   0.00001  -0.00002   1.85763
   A63        2.32070   0.00002   0.00003   0.00007   0.00010   2.32080
   A64        2.13633  -0.00002  -0.00004  -0.00007  -0.00012   2.13621
   A65        1.82601   0.00001   0.00001   0.00000   0.00000   1.82601
   A66        1.91814   0.00000  -0.00001   0.00000  -0.00002   1.91813
   A67        2.24623  -0.00001  -0.00004  -0.00002  -0.00006   2.24617
   A68        2.11817   0.00001   0.00006   0.00002   0.00008   2.11825
   A69        1.90204  -0.00001   0.00002   0.00000   0.00001   1.90206
   A70        2.18846   0.00000   0.00002   0.00000   0.00001   2.18847
   A71        2.19221   0.00001  -0.00003   0.00001  -0.00003   2.19218
   A72        1.91671   0.00001  -0.00001   0.00001  -0.00001   1.91670
   A73        2.18690  -0.00001  -0.00002   0.00000  -0.00002   2.18688
   A74        2.17884   0.00000   0.00003   0.00000   0.00003   2.17886
   A75        1.86185  -0.00001   0.00001   0.00000   0.00000   1.86185
   A76        2.20007  -0.00001  -0.00012   0.00002  -0.00010   2.19996
   A77        2.19577   0.00002   0.00012  -0.00003   0.00010   2.19586
   A78        1.94202   0.00000   0.00001   0.00001   0.00002   1.94204
   A79        1.94047   0.00000   0.00003   0.00000   0.00003   1.94050
   A80        1.92530   0.00000   0.00004   0.00000   0.00004   1.92535
   A81        1.89020   0.00000  -0.00003  -0.00001  -0.00004   1.89016
   A82        1.87710   0.00000   0.00000  -0.00001   0.00000   1.87709
   A83        1.88660   0.00000  -0.00006   0.00000  -0.00005   1.88655
   A84        1.95889   0.00000   0.00001   0.00002   0.00003   1.95892
   A85        1.90782   0.00000   0.00000   0.00002   0.00001   1.90783
   A86        1.90632   0.00000   0.00002   0.00000   0.00002   1.90634
   A87        1.91233   0.00000   0.00001  -0.00002   0.00000   1.91233
   A88        1.91955   0.00000  -0.00004  -0.00002  -0.00005   1.91949
   A89        1.85606   0.00000  -0.00001   0.00000  -0.00001   1.85605
   A90        2.30202   0.00001   0.00006   0.00005   0.00011   2.30213
   A91        2.15471  -0.00001  -0.00006  -0.00005  -0.00010   2.15461
   A92        1.82643   0.00000   0.00000   0.00000  -0.00001   1.82642
   A93        1.91778   0.00000   0.00000   0.00000   0.00000   1.91777
   A94        2.24958   0.00000   0.00003   0.00000   0.00003   2.24962
   A95        2.11582   0.00000  -0.00003   0.00000  -0.00003   2.11579
   A96        1.89978   0.00000   0.00000   0.00000   0.00001   1.89978
   A97        2.19046   0.00000  -0.00004  -0.00001  -0.00005   2.19041
   A98        2.19283   0.00000   0.00003   0.00001   0.00004   2.19287
   A99        1.91541   0.00000  -0.00002   0.00000  -0.00001   1.91540
   A100       2.18937   0.00000  -0.00002   0.00002  -0.00001   2.18937
   A101       2.17812   0.00000   0.00004  -0.00002   0.00002   2.17814
   A102       1.86535   0.00000   0.00002   0.00000   0.00001   1.86537
   A103       2.21217  -0.00002   0.00010  -0.00007   0.00004   2.21220
   A104       2.19092   0.00002  -0.00018   0.00004  -0.00014   2.19078
   A105       1.71510  -0.00001   0.00035   0.00011   0.00045   1.71555
   A106       1.56059   0.00002  -0.00010   0.00015   0.00006   1.56064
   A107       1.68681  -0.00002   0.00001  -0.00007  -0.00005   1.68676
   A108       3.00358   0.00001   0.00004   0.00009   0.00013   3.00371
   A109       1.66390   0.00000  -0.00006   0.00005  -0.00001   1.66389
   A110       1.72193   0.00000  -0.00026   0.00015  -0.00011   1.72182
   A111       1.61319   0.00000   0.00031   0.00001   0.00032   1.61350
   A112       1.48524   0.00000  -0.00030  -0.00001  -0.00030   1.48494
   A113       2.89486   0.00001  -0.00018  -0.00014  -0.00032   2.89454
   A114       2.90572   0.00000  -0.00004  -0.00020  -0.00024   2.90548
   A115       1.44842   0.00000   0.00016  -0.00003   0.00013   1.44855
   A116       1.48826  -0.00001  -0.00006  -0.00024  -0.00030   1.48796
   A117       1.57658   0.00000  -0.00010  -0.00009  -0.00019   1.57640
   A118       1.43389   0.00001  -0.00002   0.00004   0.00003   1.43391
   A119       1.42941   0.00001  -0.00004  -0.00017  -0.00021   1.42921
   A120       2.10452   0.00002   0.00050   0.00028   0.00078   2.10530
   A121       2.17915   0.00000  -0.00013   0.00001  -0.00012   2.17903
   A122       1.76767  -0.00001  -0.00025  -0.00037  -0.00061   1.76706
   A123       2.07556   0.00004   0.00077   0.00093   0.00170   2.07727
   A124       2.90996  -0.00001  -0.00056  -0.00049  -0.00104   2.90892
   A125       2.13140  -0.00004   0.00003  -0.00008  -0.00005   2.13135
   A126       2.11449   0.00002  -0.00010   0.00005  -0.00005   2.11444
   A127       2.03715   0.00001   0.00007   0.00003   0.00010   2.03724
   A128       2.29620   0.00003  -0.00023   0.00006  -0.00017   2.29603
   A129       2.14581  -0.00002   0.00005  -0.00008  -0.00003   2.14578
   A130       2.07006   0.00001  -0.00004   0.00005   0.00001   2.07007
   A131       2.06700   0.00001   0.00001   0.00003   0.00004   2.06704
   A132       1.98059   0.00001  -0.00005   0.00001  -0.00004   1.98055
   A133       1.90318   0.00000  -0.00003  -0.00001  -0.00004   1.90314
   A134       1.90232   0.00000   0.00001   0.00003   0.00004   1.90236
   A135       1.81982   0.00000   0.00006   0.00003   0.00009   1.81991
   A136       1.94933  -0.00001   0.00000  -0.00006  -0.00006   1.94926
   A137       1.90578   0.00000   0.00001   0.00000   0.00001   1.90579
   A138       2.09863   0.00002   0.00003   0.00002   0.00005   2.09869
   A139       2.03136  -0.00001  -0.00016  -0.00004  -0.00020   2.03116
   A140       2.15107  -0.00001   0.00013   0.00002   0.00015   2.15122
   A141       2.07199  -0.00006  -0.00045  -0.00042  -0.00087   2.07112
   A142       2.06330   0.00000  -0.00003   0.00002  -0.00001   2.06329
   A143       2.16080   0.00001   0.00016   0.00004   0.00020   2.16100
   A144       2.03936   0.00000  -0.00004  -0.00002  -0.00006   2.03930
   A145       1.91478   0.00000   0.00008   0.00000   0.00008   1.91486
   A146       1.89483   0.00000   0.00003  -0.00003  -0.00001   1.89482
   A147       1.90497   0.00000  -0.00006   0.00006   0.00000   1.90497
   A148       1.91107  -0.00001   0.00002  -0.00003  -0.00001   1.91106
   A149       1.92993   0.00001  -0.00010   0.00004  -0.00006   1.92987
   A150       1.90788   0.00000   0.00004  -0.00004   0.00000   1.90787
   A151       1.90427   0.00001  -0.00013   0.00005  -0.00008   1.90419
   A152       1.90422  -0.00001  -0.00003  -0.00002  -0.00005   1.90417
   A153       1.97703   0.00000   0.00005  -0.00001   0.00003   1.97707
   A154       1.87643   0.00000   0.00007  -0.00001   0.00006   1.87649
   A155       1.89337   0.00000   0.00001  -0.00001   0.00000   1.89337
   A156       1.90591   0.00000   0.00004   0.00001   0.00005   1.90596
    D1        3.11042   0.00000  -0.00013   0.00012   0.00000   3.11041
    D2        1.00652   0.00000   0.00000   0.00006   0.00006   1.00658
    D3       -1.01949   0.00000  -0.00005   0.00008   0.00002  -1.01947
    D4        1.01990   0.00000  -0.00010   0.00012   0.00002   1.01992
    D5       -1.08400   0.00000   0.00003   0.00006   0.00009  -1.08392
    D6       -3.11001   0.00000  -0.00002   0.00008   0.00005  -3.10996
    D7       -1.08907   0.00000  -0.00016   0.00014  -0.00002  -1.08909
    D8        3.09021   0.00000  -0.00003   0.00008   0.00005   3.09026
    D9        1.06420   0.00000  -0.00008   0.00009   0.00001   1.06421
   D10       -2.11784   0.00000   0.00018   0.00014   0.00032  -2.11752
   D11        1.02370   0.00001  -0.00008   0.00050   0.00042   1.02412
   D12        0.00245   0.00000   0.00007   0.00018   0.00025   0.00270
   D13       -3.13920   0.00001  -0.00019   0.00055   0.00035  -3.13885
   D14        2.01940  -0.00001   0.00014   0.00015   0.00029   2.01969
   D15       -1.12225   0.00000  -0.00012   0.00052   0.00039  -1.12186
   D16       -3.13979   0.00000   0.00008   0.00006   0.00015  -3.13964
   D17        0.01589   0.00001  -0.00044   0.00020  -0.00024   0.01565
   D18        0.00185  -0.00001   0.00031  -0.00025   0.00006   0.00191
   D19       -3.12565   0.00000  -0.00022  -0.00012  -0.00033  -3.12599
   D20        3.14024   0.00000   0.00005   0.00007   0.00012   3.14036
   D21       -0.01450   0.00000  -0.00018   0.00002  -0.00016  -0.01465
   D22       -0.00140   0.00001  -0.00015   0.00035   0.00020  -0.00120
   D23        3.12705   0.00001  -0.00038   0.00030  -0.00008   3.12697
   D24       -0.00164   0.00000  -0.00036   0.00006  -0.00029  -0.00193
   D25        3.10680   0.00000   0.00048   0.00002   0.00051   3.10731
   D26        3.12700   0.00000   0.00013  -0.00006   0.00006   3.12706
   D27       -0.04775   0.00000   0.00097  -0.00010   0.00087  -0.04689
   D28        0.00043   0.00000  -0.00007  -0.00032  -0.00040   0.00003
   D29       -3.13578  -0.00001  -0.00021  -0.00021  -0.00043  -3.13621
   D30       -3.12798   0.00000   0.00016  -0.00028  -0.00012  -3.12810
   D31        0.01900  -0.00001   0.00002  -0.00017  -0.00015   0.01885
   D32        0.00072   0.00000   0.00026   0.00016   0.00042   0.00114
   D33       -3.10797   0.00000  -0.00058   0.00020  -0.00038  -3.10835
   D34        3.13679   0.00000   0.00040   0.00005   0.00045   3.13724
   D35        0.02810   0.00000  -0.00044   0.00009  -0.00035   0.02775
   D36        1.94826   0.00000  -0.00079  -0.00038  -0.00117   1.94709
   D37       -2.61289   0.00000  -0.00106  -0.00021  -0.00127  -2.61416
   D38        0.31738   0.00000  -0.00115  -0.00039  -0.00154   0.31584
   D39       -2.33227   0.00000  -0.00028   0.00074   0.00046  -2.33182
   D40       -1.12595  -0.00001  -0.00113  -0.00043  -0.00156  -1.12752
   D41       -1.23287   0.00000   0.00022  -0.00043  -0.00021  -1.23308
   D42        0.48917   0.00000  -0.00005  -0.00026  -0.00031   0.48886
   D43       -2.86375   0.00000  -0.00014  -0.00044  -0.00058  -2.86433
   D44        0.76978   0.00000   0.00072   0.00069   0.00141   0.77120
   D45        1.97610  -0.00001  -0.00012  -0.00048  -0.00060   1.97550
   D46        1.06309   0.00000  -0.00007   0.00013   0.00007   1.06316
   D47       -3.09801   0.00000  -0.00005   0.00010   0.00005  -3.09795
   D48       -1.04521   0.00000  -0.00004   0.00010   0.00007  -1.04514
   D49       -1.03584   0.00000  -0.00021   0.00013  -0.00008  -1.03592
   D50        1.08624   0.00000  -0.00019   0.00010  -0.00009   1.08615
   D51        3.13904   0.00000  -0.00017   0.00010  -0.00007   3.13897
   D52       -3.12576   0.00000  -0.00008   0.00013   0.00005  -3.12571
   D53       -1.00367   0.00000  -0.00006   0.00010   0.00004  -1.00364
   D54        1.04913   0.00000  -0.00005   0.00010   0.00005   1.04918
   D55       -1.08504  -0.00001   0.00007  -0.00028  -0.00021  -1.08525
   D56        1.04071   0.00000   0.00014  -0.00027  -0.00014   1.04057
   D57        3.11698   0.00000   0.00012  -0.00024  -0.00012   3.11686
   D58        3.06919   0.00000   0.00009  -0.00023  -0.00014   3.06905
   D59       -1.08825   0.00001   0.00016  -0.00023  -0.00006  -1.08832
   D60        0.98802   0.00001   0.00015  -0.00019  -0.00005   0.98797
   D61        1.03527   0.00000   0.00008  -0.00024  -0.00016   1.03511
   D62       -3.12217   0.00000   0.00015  -0.00024  -0.00009  -3.12226
   D63       -1.04589   0.00000   0.00013  -0.00021  -0.00007  -1.04596
   D64       -0.87932   0.00000  -0.00011   0.00015   0.00005  -0.87927
   D65        2.22597  -0.00001   0.00006  -0.00054  -0.00048   2.22549
   D66       -3.02669   0.00000  -0.00016   0.00016   0.00000  -3.02669
   D67        0.07860  -0.00001   0.00001  -0.00053  -0.00052   0.07807
   D68        1.21117   0.00001  -0.00014   0.00016   0.00001   1.21119
   D69       -1.96672   0.00000   0.00002  -0.00054  -0.00051  -1.96724
   D70        2.98439   0.00000   0.00046   0.00019   0.00064   2.98503
   D71       -0.11885   0.00001   0.00028   0.00092   0.00120  -0.11766
   D72       -2.99420   0.00000   0.00004   0.00011   0.00015  -2.99405
   D73        0.11040  -0.00001   0.00020  -0.00059  -0.00039   0.11002
   D74        0.00558  -0.00002  -0.00108  -0.00102  -0.00210   0.00349
   D75        0.23767   0.00000  -0.00220  -0.00191  -0.00410   0.23357
   D76       -1.04728   0.00000   0.00003   0.00000   0.00003  -1.04725
   D77        1.07504   0.00000  -0.00008   0.00001  -0.00007   1.07497
   D78        3.09804   0.00000  -0.00014   0.00000  -0.00013   3.09790
   D79       -3.13568   0.00000   0.00007   0.00002   0.00008  -3.13560
   D80       -1.01336   0.00000  -0.00004   0.00002  -0.00002  -1.01338
   D81        1.00963   0.00000  -0.00010   0.00002  -0.00008   1.00955
   D82        1.06175   0.00000   0.00004  -0.00001   0.00003   1.06177
   D83       -3.09912   0.00000  -0.00007   0.00000  -0.00007  -3.09920
   D84       -1.07613   0.00000  -0.00013  -0.00001  -0.00013  -1.07626
   D85       -0.09110   0.00001   0.00227   0.00121   0.00349  -0.08761
   D86        3.02926   0.00001   0.00146   0.00109   0.00255   3.03181
   D87       -2.21173   0.00000   0.00234   0.00121   0.00355  -2.20819
   D88        0.90863   0.00000   0.00153   0.00108   0.00261   0.91123
   D89        2.04368   0.00000   0.00239   0.00121   0.00360   2.04728
   D90       -1.11915   0.00000   0.00158   0.00109   0.00267  -1.11649
   D91        3.11854   0.00000  -0.00066  -0.00029  -0.00095   3.11759
   D92        0.01557   0.00000  -0.00087  -0.00016  -0.00103   0.01454
   D93       -0.00452   0.00000   0.00005  -0.00018  -0.00014  -0.00466
   D94       -3.10750   0.00000  -0.00016  -0.00005  -0.00021  -3.10771
   D95       -3.11891   0.00000   0.00059   0.00029   0.00088  -3.11803
   D96       -0.00905   0.00001   0.00052   0.00038   0.00091  -0.00815
   D97        0.00663   0.00001  -0.00002   0.00020   0.00017   0.00680
   D98        3.11648   0.00001  -0.00009   0.00029   0.00020   3.11668
   D99        0.00076  -0.00001  -0.00005   0.00010   0.00005   0.00081
   D100      -2.91028  -0.00001  -0.00011   0.00016   0.00005  -2.91023
   D101       3.10706   0.00000   0.00013  -0.00002   0.00011   3.10718
   D102       0.19602  -0.00001   0.00008   0.00004   0.00012   0.19614
   D103      -0.00650  -0.00001  -0.00001  -0.00014  -0.00015  -0.00665
   D104       3.09529  -0.00001  -0.00007  -0.00011  -0.00017   3.09511
   D105      -3.11627  -0.00001   0.00006  -0.00024  -0.00018  -3.11645
   D106      -0.01448  -0.00001   0.00000  -0.00020  -0.00020  -0.01469
   D107       0.00352   0.00001   0.00004   0.00003   0.00006   0.00358
   D108       2.91529   0.00001   0.00005  -0.00003   0.00003   2.91532
   D109      -3.09849   0.00001   0.00010  -0.00001   0.00009  -3.09841
   D110      -0.18672   0.00000   0.00011  -0.00006   0.00005  -0.18667
   D111      -0.47621   0.00001  -0.00085   0.00021  -0.00064  -0.47685
   D112      -2.05870  -0.00001  -0.00077   0.00002  -0.00076  -2.05946
   D113       1.21814  -0.00001  -0.00077   0.00015  -0.00062   1.21752
   D114       2.79111   0.00000  -0.00091   0.00006  -0.00085   2.79026
   D115       2.38733   0.00001   0.00078   0.00060   0.00138   2.38871
   D116       2.93869   0.00001  -0.00090   0.00027  -0.00062   2.93807
   D117       1.35620   0.00000  -0.00082   0.00008  -0.00073   1.35547
   D118      -1.65014  -0.00001  -0.00082   0.00021  -0.00060  -1.65074
   D119      -0.07717   0.00000  -0.00096   0.00013  -0.00083  -0.07800
   D120      -0.48095   0.00001   0.00074   0.00067   0.00140  -0.47955
   D121      -1.05696   0.00000   0.00007   0.00003   0.00010  -1.05687
   D122       3.10076   0.00000   0.00004   0.00003   0.00007   3.10083
   D123       1.07662   0.00000   0.00005   0.00002   0.00006   1.07668
   D124       1.05158   0.00000   0.00005   0.00002   0.00008   1.05166
   D125      -1.07388   0.00000   0.00003   0.00002   0.00005  -1.07383
   D126      -3.09802   0.00000   0.00003   0.00001   0.00005  -3.09798
   D127      -3.13883   0.00000   0.00003   0.00003   0.00006  -3.13877
   D128       1.01889   0.00000   0.00001   0.00003   0.00003   1.01892
   D129      -1.00525   0.00000   0.00001   0.00002   0.00003  -1.00522
   D130       0.36801   0.00001   0.00012   0.00039   0.00051   0.36851
   D131      -2.76540   0.00001  -0.00026   0.00039   0.00013  -2.76527
   D132       2.49089   0.00001   0.00014   0.00041   0.00054   2.49143
   D133      -0.64252   0.00000  -0.00024   0.00041   0.00017  -0.64235
   D134      -1.75804   0.00000   0.00011   0.00039   0.00050  -1.75754
   D135       1.39174   0.00000  -0.00027   0.00039   0.00012   1.39186
   D136      -3.12707   0.00001  -0.00023   0.00001  -0.00021  -3.12728
   D137       0.01228   0.00000  -0.00060   0.00011  -0.00049   0.01179
   D138       0.00746   0.00001   0.00010   0.00001   0.00011   0.00758
   D139      -3.13637   0.00000  -0.00028   0.00011  -0.00017  -3.13654
   D140       3.12792  -0.00001   0.00013  -0.00003   0.00010   3.12802
   D141       0.00237   0.00000   0.00023   0.00007   0.00030   0.00267
   D142      -0.00737  -0.00001  -0.00016  -0.00003  -0.00019  -0.00756
   D143      -3.13292   0.00000  -0.00006   0.00007   0.00001  -3.13291
   D144      -0.00485   0.00000   0.00000   0.00001   0.00001  -0.00484
   D145       2.96007  -0.00001  -0.00038  -0.00015  -0.00053   2.95954
   D146       3.13879   0.00000   0.00034  -0.00008   0.00026   3.13905
   D147      -0.17948   0.00000  -0.00004  -0.00024  -0.00028  -0.17975
   D148       0.00470   0.00000   0.00017   0.00004   0.00021   0.00491
   D149      -3.11247   0.00000   0.00006   0.00000   0.00006  -3.11241
   D150       3.13022   0.00000   0.00007  -0.00006   0.00001   3.13023
   D151       0.01305  -0.00001  -0.00004  -0.00010  -0.00014   0.01291
   D152       0.00004   0.00000  -0.00010  -0.00003  -0.00013  -0.00009
   D153      -2.96763   0.00001   0.00023   0.00014   0.00038  -2.96726
   D154       3.11740   0.00000   0.00000   0.00001   0.00001   3.11742
   D155       0.14973   0.00001   0.00034   0.00018   0.00052   0.15025
   D156      -1.44224   0.00001  -0.00047   0.00020  -0.00026  -1.44250
   D157       0.27297   0.00000  -0.00013   0.00034   0.00020   0.27317
   D158       2.80014   0.00001   0.00000   0.00025   0.00025   2.80039
   D159       1.73775   0.00000  -0.00037   0.00031  -0.00007   1.73768
   D160      -3.10732   0.00001  -0.00041   0.00016  -0.00025  -3.10757
   D161       1.49119   0.00000  -0.00088   0.00000  -0.00087   1.49031
   D162      -3.07679   0.00000  -0.00055   0.00014  -0.00041  -3.07720
   D163      -0.54962   0.00000  -0.00041   0.00005  -0.00037  -0.54998
   D164      -1.61201   0.00000  -0.00079   0.00011  -0.00068  -1.61269
   D165      -0.17389   0.00001  -0.00083  -0.00003  -0.00086  -0.17475
   D166       1.75442  -0.00001   0.00037  -0.00002   0.00035   1.75476
   D167      -0.57571  -0.00001   0.00027   0.00024   0.00051  -0.57520
   D168       0.03320   0.00000  -0.00001  -0.00013  -0.00015   0.03306
   D169      -2.29693  -0.00001  -0.00011   0.00013   0.00002  -2.29690
   D170      -2.50136   0.00000  -0.00011  -0.00005  -0.00017  -2.50153
   D171       1.45170  -0.00001  -0.00021   0.00021   0.00000   1.45170
   D172      -1.45220   0.00000   0.00029  -0.00012   0.00017  -1.45204
   D173       2.50085  -0.00001   0.00019   0.00015   0.00033   2.50119
   D174      -2.87946  -0.00001   0.00031   0.00004   0.00035  -2.87912
   D175       1.07359  -0.00001   0.00021   0.00030   0.00051   1.07410
   D176       1.01493   0.00000  -0.00185  -0.00127  -0.00312   1.01181
   D177       3.03203   0.00000  -0.00131  -0.00016  -0.00147   3.03055
   D178       1.29770  -0.00001  -0.00108  -0.00031  -0.00139   1.29631
   D179      -1.63831  -0.00001  -0.00100  -0.00014  -0.00114  -1.63945
   D180      -0.20665   0.00000  -0.00100  -0.00009  -0.00109  -0.20774
   D181       2.08930  -0.00001  -0.00002  -0.00044  -0.00047   2.08884
   D182      -0.77598  -0.00001  -0.00166  -0.00084  -0.00250  -0.77847
   D183      -2.64110   0.00001  -0.00012  -0.00032  -0.00044  -2.64154
   D184       0.41382   0.00001  -0.00004  -0.00037  -0.00041   0.41341
   D185      -1.18249   0.00000   0.00006  -0.00031  -0.00025  -1.18274
   D186      -2.39599   0.00002   0.00073   0.00049   0.00122  -2.39477
   D187       0.09345   0.00002   0.00077   0.00036   0.00113   0.09458
   D188       2.10292   0.00001   0.00183   0.00187   0.00370   2.10662
   D189      -0.34843   0.00000   0.00146   0.00188   0.00335  -0.34509
   D190       0.90105   0.00001   0.00146   0.00038   0.00184   0.90289
   D191      -2.25951   0.00001   0.00117   0.00032   0.00149  -2.25802
   D192       0.07779   0.00000  -0.00065  -0.00024  -0.00089   0.07690
   D193      -3.09108   0.00000   0.00036  -0.00014   0.00022  -3.09087
   D194      -3.04562   0.00000  -0.00037  -0.00018  -0.00055  -3.04618
   D195       0.06869   0.00000   0.00064  -0.00009   0.00055   0.06924
   D196      -1.14863   0.00000   0.00009   0.00012   0.00020  -1.14843
   D197       0.89676   0.00000   0.00008   0.00012   0.00020   0.89696
   D198       3.02365   0.00000   0.00014   0.00011   0.00024   3.02389
   D199       1.97497   0.00000  -0.00018   0.00005  -0.00013   1.97484
   D200      -2.26282   0.00000  -0.00020   0.00006  -0.00014  -2.26296
   D201      -0.13594   0.00000  -0.00013   0.00004  -0.00009  -0.13602
   D202      -1.44623   0.00000   0.00049   0.00021   0.00070  -1.44553
   D203       0.57373   0.00000   0.00052   0.00025   0.00077   0.57449
   D204       2.65277   0.00001   0.00052   0.00025   0.00078   2.65354
   D205       1.72259   0.00000  -0.00051   0.00011  -0.00040   1.72219
   D206      -2.54063   0.00000  -0.00049   0.00015  -0.00034  -2.54097
   D207      -0.46159   0.00001  -0.00049   0.00016  -0.00033  -0.46192
   D208       0.69754   0.00000  -0.00121  -0.00050  -0.00171   0.69583
   D209      -2.51188   0.00000  -0.00112  -0.00051  -0.00163  -2.51351
   D210      -1.37111   0.00000  -0.00118  -0.00051  -0.00169  -1.37281
   D211       1.70265   0.00000  -0.00109  -0.00052  -0.00161   1.70104
   D212       2.85628   0.00000  -0.00123  -0.00050  -0.00172   2.85456
   D213      -0.35314   0.00000  -0.00114  -0.00051  -0.00164  -0.35478
   D214       1.00974   0.00000   0.00071   0.00063   0.00134   1.01108
   D215      -2.05919   0.00001   0.00062   0.00065   0.00127  -2.05792
   D216       0.00040   0.00000   0.00036   0.00000   0.00037   0.00077
   D217      -2.92204  -0.00001  -0.00010  -0.00023  -0.00033  -2.92238
   D218       3.07193   0.00000   0.00045  -0.00001   0.00044   3.07237
   D219       0.14948  -0.00001  -0.00001  -0.00024  -0.00026   0.14922
   D220      -2.44389   0.00000   0.00123   0.00060   0.00183  -2.44206
   D221      -0.35607   0.00000   0.00132   0.00054   0.00186  -0.35421
   D222       1.72215   0.00000   0.00134   0.00051   0.00185   1.72401
   D223       0.91409   0.00000   0.00077   0.00036   0.00114   0.91522
   D224       3.00190  -0.00001   0.00086   0.00030   0.00117   3.00307
   D225      -1.20305  -0.00001   0.00089   0.00027   0.00116  -1.20190
         Item               Value     Threshold  Converged?
 Maximum Force            0.000188     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.009534     0.001800     NO 
 RMS     Displacement     0.001311     0.001200     NO 
 Predicted change in Energy=-4.531684D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.068350    2.545921    3.556933
      2          6           0       -3.329044    1.186460    3.655663
      3          6           0       -2.080021    1.113029    2.821680
      4          6           0       -1.696817    0.260659    1.796951
      5          7           0       -1.000987    1.997908    2.979909
      6          6           0       -0.023907    1.664629    2.074311
      7          7           0       -0.413619    0.612462    1.339852
      8          6           0       -5.229377    0.901037    0.146748
      9          6           0       -5.871123   -0.170864   -0.761343
     10          6           0       -5.243456   -1.574392   -0.575065
     11          6           0       -3.763646   -1.573269   -0.949503
     12          8           0       -3.375226   -1.088179   -2.062874
     13          8           0       -2.909945   -2.059796   -0.042984
     14          6           0       -2.267040    4.235416   -2.988686
     15          6           0       -0.993095    3.837240   -3.763079
     16          6           0       -0.192133    2.761642   -3.077267
     17          6           0       -0.320776    2.122568   -1.853489
     18          7           0        0.931531    2.163517   -3.673581
     19          6           0        1.429686    1.204650   -2.825994
     20          7           0        0.691078    1.157677   -1.708894
     21          6           0        4.688678    4.003776    1.479167
     22          6           0        5.164961    2.625393    1.987000
     23          6           0        4.195587    1.526036    1.644442
     24          6           0        3.202196    1.433613    0.679974
     25          7           0        4.140882    0.301276    2.328972
     26          6           0        3.139852   -0.469484    1.782241
     27          7           0        2.554766    0.194612    0.779837
     28         30           0        0.757318   -0.394695   -0.219707
     29          1           0       -4.983457    2.524616    4.160150
     30          1           0       -4.347268    2.764375    2.520231
     31          1           0       -3.450947    3.375981    3.927417
     32          1           0       -3.997563    0.383942    3.326290
     33          1           0       -3.090783    0.978911    4.709752
     34          1           0       -2.251315   -0.557284    1.359375
     35          1           0       -0.958381    2.760938    3.642775
     36          1           0        0.916090    2.183906    1.986761
     37          1           0       -4.160091    1.012080   -0.073771
     38          1           0       -5.335821    0.630221    1.206917
     39          1           0       -5.710425    1.877317   -0.001642
     40          1           0       -6.948841   -0.232527   -0.553624
     41          1           0       -5.755158    0.121717   -1.812203
     42          1           0       -5.350904   -1.922742    0.458544
     43          1           0       -5.761959   -2.289342   -1.229542
     44          1           0       -2.936341    3.376164   -2.863602
     45          1           0       -2.812191    5.013840   -3.533850
     46          1           0       -2.021811    4.630768   -1.994899
     47          1           0       -1.279689    3.488244   -4.766544
     48          1           0       -0.364186    4.728476   -3.911148
     49          1           0       -1.073716    2.263068   -1.096383
     50          1           0        1.295048    2.384444   -4.592060
     51          1           0        2.264285    0.557705   -3.039689
     52          1           0        4.579296    4.009679    0.387895
     53          1           0        3.724274    4.278136    1.923353
     54          1           0        5.417236    4.778642    1.742367
     55          1           0        5.303850    2.667583    3.077302
     56          1           0        6.152872    2.402715    1.557496
     57          1           0        2.911388    2.157449   -0.063092
     58          1           0        4.731396    0.035883    3.107152
     59          1           0        2.850417   -1.450452    2.121703
     60          8           0       -0.791515   -1.394187   -1.067518
     61          1           0       -1.209851   -1.062375   -1.894061
     62          1           0       -1.672119   -1.777862   -0.519056
     63          6           0        2.982359   -2.521654   -1.578026
     64          8           0        2.283264   -1.471536   -1.705920
     65          7           0        2.439171   -3.713034   -1.184927
     66          6           0        1.002272   -3.901431   -0.970853
     67          6           0        0.524131   -3.439033    0.413324
     68          8           0        0.991333   -2.369796    0.930893
     69          7           0       -0.452662   -4.173211    0.986420
     70          1           0        0.449067   -3.266089   -1.674422
     71          1           0        0.748626   -4.950429   -1.156999
     72          1           0        3.054099   -4.507656   -1.056921
     73          1           0       -0.809652   -4.976450    0.479072
     74          6           0       -1.217457   -3.740119    2.171960
     75          1           0       -1.373490   -4.591745    2.842162
     76          1           0       -0.646300   -2.967825    2.691013
     77          1           0       -2.178521   -3.323979    1.847594
     78          6           0        4.469869   -2.516570   -1.881599
     79          1           0        4.616856   -2.334383   -2.952786
     80          1           0        4.943332   -1.692036   -1.339187
     81          1           0        4.968565   -3.454771   -1.617474
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968820      0.0726864      0.0659864
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4910.9029145818 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122057.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000090   -0.000080   -0.000008 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581647     A.U. after    8 cycles
            NFock=  8  Conv=0.46D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122057.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000001777   -0.000038916   -0.000007600
      3        6           0.000009821   -0.000007925   -0.000013747
      4        6          -0.000076954    0.000015455    0.000024095
      5        7           0.000040441   -0.000029187   -0.000003969
      6        6          -0.000063732    0.000033531   -0.000009563
      7        7           0.000103279    0.000015882   -0.000041452
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000008980    0.000009500   -0.000024860
     10        6          -0.000009661   -0.000000597   -0.000001336
     11        6           0.000078522   -0.000041590   -0.000027143
     12        8          -0.000032258   -0.000020455   -0.000005513
     13        8           0.000083390    0.000128414    0.000086667
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000002457   -0.000004275   -0.000017027
     16        6           0.000020134    0.000011095    0.000031354
     17        6           0.000000883   -0.000003563   -0.000002573
     18        7          -0.000012382    0.000017021   -0.000032960
     19        6           0.000026541   -0.000013747    0.000007219
     20        7          -0.000020339   -0.000012399    0.000022392
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000000217   -0.000002327    0.000006223
     23        6          -0.000003500   -0.000004388   -0.000021868
     24        6           0.000014858   -0.000014418    0.000018563
     25        7           0.000004153    0.000012044    0.000016534
     26        6           0.000004498   -0.000018057    0.000009550
     27        7          -0.000055881    0.000043157    0.000021699
     28       30          -0.000010381    0.000015408   -0.000070862
     29        1           0.000005399    0.000009172    0.000005865
     30        1           0.000013233   -0.000013456   -0.000021528
     31        1          -0.000012112   -0.000030569    0.000015112
     32        1           0.000016445    0.000033833   -0.000016258
     33        1          -0.000026242    0.000017414    0.000037107
     34        1           0.000000711   -0.000024171   -0.000004182
     35        1           0.000006040    0.000010529    0.000010089
     36        1          -0.000001291    0.000003219   -0.000000034
     37        1           0.000000829    0.000003829   -0.000002767
     38        1          -0.000007102    0.000006456    0.000008563
     39        1          -0.000006442    0.000006488   -0.000003521
     40        1          -0.000000487   -0.000004357    0.000004914
     41        1          -0.000001923    0.000002249    0.000004244
     42        1          -0.000001248   -0.000002494    0.000002113
     43        1          -0.000001921    0.000012019    0.000001269
     44        1           0.000002867   -0.000005430    0.000003268
     45        1           0.000003079   -0.000000182    0.000000184
     46        1          -0.000007621   -0.000003751    0.000009560
     47        1          -0.000001108   -0.000000938    0.000004230
     48        1          -0.000004215   -0.000002099    0.000009263
     49        1           0.000004795    0.000004300   -0.000012858
     50        1          -0.000003006   -0.000012477    0.000007410
     51        1          -0.000000249    0.000007576   -0.000008362
     52        1          -0.000000551   -0.000001306   -0.000003055
     53        1          -0.000009111    0.000004028   -0.000003719
     54        1          -0.000005260   -0.000006016    0.000001092
     55        1          -0.000002491    0.000003369   -0.000001176
     56        1           0.000001934   -0.000005505   -0.000001180
     57        1          -0.000009430   -0.000003842   -0.000007483
     58        1           0.000001707    0.000000228    0.000002363
     59        1          -0.000010236    0.000000458   -0.000013030
     60        8           0.000103745    0.000081994    0.000063581
     61        1           0.000043613    0.000013193   -0.000006202
     62        1          -0.000237077   -0.000174621   -0.000097478
     63        6          -0.000035938   -0.000114234   -0.000038074
     64        8           0.000016558    0.000053150    0.000041548
     65        7          -0.000018869    0.000066371    0.000020953
     66        6           0.000017487   -0.000020695   -0.000008575
     67        6          -0.000004157    0.000021532   -0.000040003
     68        8           0.000006173   -0.000055901    0.000059150
     69        7          -0.000015710   -0.000002722   -0.000027681
     70        1          -0.000003964    0.000003088   -0.000001745
     71        1           0.000003026    0.000000682    0.000005453
     72        1           0.000001685    0.000004909   -0.000010233
     73        1          -0.000005828    0.000003863    0.000003081
     74        6           0.000039747    0.000014598    0.000022344
     75        1          -0.000009908   -0.000008110   -0.000003879
     76        1          -0.000007713    0.000001476    0.000010957
     77        1          -0.000006316   -0.000018035    0.000001008
     78        6           0.000037366    0.000016824    0.000005365
     79        1          -0.000011245   -0.000003003   -0.000001591
     80        1           0.000001117   -0.000002553    0.000001441
     81        1          -0.000001269    0.000004847    0.000001088
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000237077 RMS     0.000032719

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000168656 RMS     0.000015046
 Search for a local minimum.
 Step number  45 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45
 DE= -4.42D-07 DEPred=-4.53D-07 R= 9.75D-01
 Trust test= 9.75D-01 RLast= 1.57D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  0  1  0
     Eigenvalues ---    0.00066   0.00105   0.00126   0.00204   0.00230
     Eigenvalues ---    0.00231   0.00233   0.00241   0.00308   0.00373
     Eigenvalues ---    0.00415   0.00522   0.00541   0.00588   0.00663
     Eigenvalues ---    0.00688   0.00778   0.00833   0.00865   0.00929
     Eigenvalues ---    0.01147   0.01229   0.01265   0.01352   0.01412
     Eigenvalues ---    0.01525   0.01609   0.01756   0.01785   0.01806
     Eigenvalues ---    0.01846   0.01897   0.01928   0.01966   0.02016
     Eigenvalues ---    0.02076   0.02163   0.02205   0.02273   0.02320
     Eigenvalues ---    0.02340   0.02476   0.02544   0.02803   0.03022
     Eigenvalues ---    0.03381   0.03458   0.03780   0.03903   0.04000
     Eigenvalues ---    0.04079   0.04148   0.04250   0.04351   0.04504
     Eigenvalues ---    0.04818   0.04841   0.04953   0.05167   0.05279
     Eigenvalues ---    0.05330   0.05381   0.05391   0.05404   0.05441
     Eigenvalues ---    0.05467   0.05507   0.05511   0.05522   0.05554
     Eigenvalues ---    0.05569   0.05933   0.06368   0.06388   0.06902
     Eigenvalues ---    0.07273   0.07479   0.07677   0.07860   0.08302
     Eigenvalues ---    0.08417   0.08698   0.09176   0.09322   0.09482
     Eigenvalues ---    0.09682   0.09973   0.10302   0.10526   0.10924
     Eigenvalues ---    0.11936   0.12204   0.12470   0.12849   0.12956
     Eigenvalues ---    0.13016   0.13363   0.13641   0.14316   0.14821
     Eigenvalues ---    0.15053   0.15813   0.15867   0.15876   0.15926
     Eigenvalues ---    0.15974   0.15984   0.15989   0.15994   0.15995
     Eigenvalues ---    0.15997   0.16000   0.16003   0.16004   0.16006
     Eigenvalues ---    0.16008   0.16009   0.16013   0.16024   0.16034
     Eigenvalues ---    0.16046   0.16062   0.16082   0.16090   0.16109
     Eigenvalues ---    0.16182   0.16227   0.16344   0.16379   0.16494
     Eigenvalues ---    0.16533   0.18061   0.20312   0.20782   0.20891
     Eigenvalues ---    0.21206   0.22053   0.22380   0.22439   0.22791
     Eigenvalues ---    0.22941   0.23126   0.23219   0.23544   0.23823
     Eigenvalues ---    0.23898   0.24120   0.24431   0.24813   0.25057
     Eigenvalues ---    0.25148   0.26016   0.27297   0.27682   0.28155
     Eigenvalues ---    0.28233   0.28317   0.28642   0.29232   0.30074
     Eigenvalues ---    0.30757   0.31023   0.31538   0.31621   0.31918
     Eigenvalues ---    0.33529   0.33613   0.33629   0.33662   0.33672
     Eigenvalues ---    0.33709   0.33797   0.33827   0.33863   0.33917
     Eigenvalues ---    0.33928   0.33939   0.33969   0.33985   0.34006
     Eigenvalues ---    0.34011   0.34036   0.34074   0.34085   0.34095
     Eigenvalues ---    0.34136   0.34166   0.34182   0.34192   0.34210
     Eigenvalues ---    0.34293   0.34304   0.34373   0.34600   0.34999
     Eigenvalues ---    0.35644   0.35768   0.36091   0.36221   0.36283
     Eigenvalues ---    0.36368   0.36536   0.36593   0.38868   0.39097
     Eigenvalues ---    0.39622   0.41876   0.42482   0.42653   0.42936
     Eigenvalues ---    0.45274   0.45342   0.45484   0.45583   0.45595
     Eigenvalues ---    0.45638   0.45702   0.46386   0.48884   0.49243
     Eigenvalues ---    0.49487   0.49850   0.51773   0.52667   0.54521
     Eigenvalues ---    0.54867   0.55099   0.56403   0.66462   0.73524
     Eigenvalues ---    0.766461000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    45   44   43   42   41
 RFO step:  Lambda=-2.03657491D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.34410    0.36435   -1.08399    0.09470    0.28085
 Iteration  1 RMS(Cart)=  0.00111329 RMS(Int)=  0.00000111
 Iteration  2 RMS(Cart)=  0.00000191 RMS(Int)=  0.00000055
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000055
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00001   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762  -0.00002   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498  -0.00001   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00001   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00002   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969  -0.00001   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140  -0.00001   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00002   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00002   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00000   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468  -0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93027   0.00003   0.00004   0.00005   0.00009   2.93036
    R2        2.07159   0.00001  -0.00001   0.00001   0.00000   2.07159
    R3        2.07032   0.00003   0.00004   0.00003   0.00007   2.07039
    R4        2.07650   0.00004   0.00004   0.00003   0.00007   2.07657
    R5        2.84150   0.00002   0.00001   0.00002   0.00003   2.84153
    R6        2.06961   0.00004   0.00003   0.00004   0.00008   2.06968
    R7        2.07951   0.00005   0.00004   0.00005   0.00009   2.07960
    R8        2.62083   0.00001   0.00000   0.00002   0.00001   2.62085
    R9        2.65395  -0.00001  -0.00002  -0.00001  -0.00003   2.65392
   R10        2.65861  -0.00004  -0.00006  -0.00002  -0.00008   2.65853
   R11        2.04228  -0.00002   0.00000  -0.00001  -0.00002   2.04226
   R12        2.59510   0.00003   0.00006   0.00001   0.00007   2.59517
   R13        1.91173   0.00000   0.00000   0.00000   0.00001   1.91173
   R14        2.53418  -0.00001   0.00000  -0.00001  -0.00001   2.53417
   R15        2.03609   0.00000  -0.00001   0.00000  -0.00001   2.03609
   R16        4.14780   0.00000  -0.00040   0.00003  -0.00037   4.14743
   R17        2.91866   0.00001   0.00003  -0.00001   0.00002   2.91867
   R18        2.07382   0.00000  -0.00003   0.00001  -0.00002   2.07380
   R19        2.07752   0.00001   0.00000   0.00001   0.00002   2.07754
   R20        2.07573  -0.00001   0.00003  -0.00001   0.00002   2.07576
   R21        2.92667   0.00000   0.00000  -0.00001  -0.00001   2.92666
   R22        2.07735   0.00000   0.00001   0.00000   0.00000   2.07735
   R23        2.07299   0.00000  -0.00003   0.00001  -0.00002   2.07297
   R24        2.88457   0.00000   0.00009  -0.00004   0.00005   2.88462
   R25        2.07116   0.00000   0.00002   0.00000   0.00001   2.07117
   R26        2.07727   0.00001   0.00000   0.00000   0.00001   2.07728
   R27        2.40951   0.00001   0.00006   0.00007   0.00014   2.40965
   R28        2.52637   0.00007  -0.00002  -0.00001  -0.00003   2.52634
   R29        4.10467  -0.00001  -0.00106  -0.00219  -0.00324   4.10143
   R30        2.56220   0.00017   0.00094   0.00073   0.00167   2.56387
   R31        2.91604  -0.00001   0.00000  -0.00002  -0.00002   2.91602
   R32        2.07175   0.00000   0.00001   0.00000   0.00001   2.07176
   R33        2.07038   0.00000   0.00000   0.00000   0.00000   2.07038
   R34        2.07358   0.00001   0.00000   0.00001   0.00001   2.07360
   R35        2.84640  -0.00001   0.00000  -0.00001  -0.00002   2.84638
   R36        2.07945   0.00000   0.00001   0.00000   0.00001   2.07946
   R37        2.08020   0.00000   0.00001   0.00000   0.00001   2.08022
   R38        2.62025  -0.00001   0.00004  -0.00003   0.00001   2.62027
   R39        2.65637   0.00001  -0.00007   0.00004  -0.00003   2.65634
   R40        2.65624   0.00001  -0.00001   0.00002   0.00001   2.65625
   R41        2.03518  -0.00001   0.00000   0.00000   0.00000   2.03518
   R42        2.59519  -0.00001   0.00002  -0.00002   0.00000   2.59519
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53228   0.00000  -0.00001   0.00000  -0.00001   2.53227
   R45        2.03596   0.00001  -0.00001   0.00000  -0.00001   2.03595
   R46        4.06705   0.00000   0.00009   0.00004   0.00013   4.06718
   R47        2.91819   0.00000  -0.00004   0.00001  -0.00003   2.91816
   R48        2.07257   0.00000   0.00000   0.00000   0.00000   2.07257
   R49        2.07238  -0.00001   0.00002  -0.00001   0.00001   2.07239
   R50        2.07051   0.00001   0.00000   0.00001   0.00001   2.07052
   R51        2.84441   0.00001   0.00001   0.00002   0.00003   2.84443
   R52        2.07855   0.00000   0.00000   0.00000   0.00000   2.07855
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62228   0.00000   0.00000   0.00001   0.00000   2.62228
   R55        2.65344   0.00001   0.00004   0.00001   0.00004   2.65348
   R56        2.64849   0.00002   0.00003   0.00002   0.00005   2.64854
   R57        2.03587   0.00000   0.00000   0.00000   0.00000   2.03587
   R58        2.60141   0.00000   0.00001  -0.00001  -0.00001   2.60140
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52698   0.00000  -0.00001   0.00001   0.00000   2.52698
   R61        2.03644   0.00000   0.00000   0.00000   0.00000   2.03644
   R62        4.04295   0.00005   0.00067   0.00007   0.00073   4.04368
   R63        3.83417   0.00001   0.00006  -0.00006   0.00000   3.83416
   R64        4.51044  -0.00002  -0.00090  -0.00037  -0.00128   4.50916
   R65        4.34212  -0.00003   0.00031   0.00043   0.00074   4.34286
   R66        1.85951   0.00002  -0.00001   0.00008   0.00007   1.85958
   R67        2.09025  -0.00014  -0.00042  -0.00047  -0.00089   2.08935
   R68        2.39618  -0.00002   0.00003  -0.00001   0.00003   2.39621
   R69        2.58345   0.00006  -0.00001   0.00003   0.00002   2.58347
   R70        2.86894  -0.00003  -0.00002  -0.00004  -0.00007   2.86888
   R71        2.76830   0.00001  -0.00005   0.00001  -0.00004   2.76826
   R72        1.91409   0.00000   0.00001   0.00000   0.00000   1.91409
   R73        2.90205   0.00000   0.00009   0.00000   0.00009   2.90214
   R74        2.07415   0.00000  -0.00001  -0.00001  -0.00002   2.07412
   R75        2.06956   0.00000   0.00000   0.00000   0.00001   2.06957
   R76        2.41221   0.00003   0.00000   0.00002   0.00002   2.41224
   R77        2.55049  -0.00001  -0.00003   0.00001  -0.00003   2.55046
   R78        1.91790   0.00000  -0.00001   0.00001   0.00000   1.91790
   R79        2.78886   0.00003  -0.00001   0.00002   0.00001   2.78886
   R80        2.06904  -0.00001   0.00002  -0.00001   0.00001   2.06905
   R81        2.06324   0.00001   0.00000   0.00001   0.00001   2.06326
   R82        2.07184   0.00000   0.00001  -0.00001   0.00000   2.07185
   R83        2.07202   0.00000   0.00001   0.00001   0.00002   2.07204
   R84        2.06857   0.00000  -0.00002   0.00000  -0.00001   2.06855
   R85        2.06895   0.00000   0.00000   0.00000   0.00001   2.06896
    A1        1.92402  -0.00001  -0.00004  -0.00002  -0.00006   1.92396
    A2        1.93526   0.00001   0.00001   0.00002   0.00003   1.93529
    A3        1.95294   0.00000   0.00002   0.00000   0.00002   1.95297
    A4        1.88814   0.00000  -0.00001   0.00000  -0.00001   1.88813
    A5        1.87359   0.00000  -0.00002   0.00002   0.00000   1.87359
    A6        1.88753  -0.00001   0.00003  -0.00002   0.00001   1.88754
    A7        1.98618   0.00002   0.00007   0.00005   0.00011   1.98629
    A8        1.90948  -0.00001  -0.00004   0.00001  -0.00003   1.90945
    A9        1.90665   0.00000   0.00001   0.00001   0.00002   1.90667
   A10        1.88016   0.00000  -0.00004   0.00000  -0.00004   1.88013
   A11        1.92007  -0.00002  -0.00003  -0.00005  -0.00008   1.91999
   A12        1.85672   0.00000   0.00003  -0.00002   0.00001   1.85672
   A13        2.30411   0.00002  -0.00010   0.00005  -0.00005   2.30406
   A14        2.14713  -0.00001   0.00008  -0.00003   0.00005   2.14718
   A15        1.83195  -0.00001   0.00003  -0.00003   0.00000   1.83195
   A16        1.91600   0.00001  -0.00003   0.00004   0.00001   1.91601
   A17        2.24279   0.00000   0.00001  -0.00003  -0.00002   2.24277
   A18        2.12431  -0.00001   0.00002  -0.00001   0.00001   2.12432
   A19        1.89594  -0.00001   0.00000  -0.00001  -0.00001   1.89594
   A20        2.19126  -0.00001   0.00002  -0.00003  -0.00002   2.19124
   A21        2.19589   0.00002  -0.00001   0.00004   0.00003   2.19593
   A22        1.92284   0.00000  -0.00006   0.00003  -0.00003   1.92281
   A23        2.16199   0.00000   0.00002   0.00000   0.00002   2.16200
   A24        2.19835   0.00000   0.00004  -0.00003   0.00002   2.19836
   A25        1.85804   0.00000   0.00006  -0.00003   0.00003   1.85807
   A26        2.21766   0.00003   0.00023  -0.00006   0.00017   2.21783
   A27        2.20698  -0.00004  -0.00028   0.00008  -0.00020   2.20678
   A28        1.93578  -0.00001   0.00007  -0.00003   0.00004   1.93582
   A29        1.93456   0.00000  -0.00002   0.00001  -0.00001   1.93456
   A30        1.93418   0.00000  -0.00006   0.00001  -0.00005   1.93413
   A31        1.88919   0.00000   0.00009  -0.00003   0.00006   1.88925
   A32        1.88561   0.00000  -0.00002   0.00001  -0.00002   1.88559
   A33        1.88264   0.00000  -0.00006   0.00004  -0.00002   1.88262
   A34        1.97125  -0.00002   0.00000  -0.00004  -0.00005   1.97121
   A35        1.91260   0.00000  -0.00007  -0.00001  -0.00008   1.91252
   A36        1.91156   0.00001   0.00000   0.00002   0.00002   1.91159
   A37        1.90050   0.00001   0.00006  -0.00001   0.00005   1.90055
   A38        1.89029   0.00000  -0.00007   0.00004  -0.00002   1.89027
   A39        1.87508   0.00000   0.00008   0.00000   0.00008   1.87516
   A40        1.94199   0.00001  -0.00007   0.00001  -0.00005   1.94193
   A41        1.94092   0.00000   0.00002  -0.00003  -0.00001   1.94092
   A42        1.90355   0.00000   0.00010   0.00000   0.00010   1.90365
   A43        1.90351   0.00000   0.00004  -0.00005  -0.00001   1.90350
   A44        1.88779   0.00000  -0.00002   0.00004   0.00002   1.88781
   A45        1.88444   0.00000  -0.00009   0.00004  -0.00005   1.88439
   A46        2.10574   0.00003  -0.00015   0.00003  -0.00012   2.10562
   A47        2.04032  -0.00002   0.00007  -0.00001   0.00005   2.04037
   A48        2.13651  -0.00001   0.00009  -0.00001   0.00008   2.13659
   A49        1.81351   0.00001   0.00005   0.00017   0.00022   1.81374
   A50        1.84338  -0.00001  -0.00008  -0.00016  -0.00024   1.84313
   A51        1.93802   0.00001   0.00003   0.00001   0.00004   1.93806
   A52        1.92241   0.00000  -0.00004   0.00001  -0.00003   1.92238
   A53        1.94225  -0.00001  -0.00001  -0.00002  -0.00003   1.94222
   A54        1.88584   0.00000   0.00002  -0.00004  -0.00002   1.88582
   A55        1.89177   0.00000  -0.00002   0.00002   0.00000   1.89177
   A56        1.88165   0.00000   0.00003   0.00003   0.00005   1.88170
   A57        1.97662  -0.00001   0.00012  -0.00003   0.00009   1.97671
   A58        1.90123   0.00000  -0.00001   0.00000  -0.00001   1.90123
   A59        1.90737   0.00000  -0.00007   0.00003  -0.00004   1.90733
   A60        1.90416   0.00000  -0.00009   0.00001  -0.00008   1.90407
   A61        1.91302   0.00000   0.00005  -0.00004   0.00001   1.91304
   A62        1.85763   0.00000  -0.00001   0.00004   0.00002   1.85765
   A63        2.32080   0.00001   0.00009   0.00003   0.00012   2.32092
   A64        2.13621  -0.00002  -0.00010  -0.00004  -0.00014   2.13608
   A65        1.82601   0.00000   0.00000   0.00001   0.00001   1.82602
   A66        1.91813   0.00000   0.00000   0.00000  -0.00001   1.91812
   A67        2.24617  -0.00001  -0.00008   0.00000  -0.00008   2.24610
   A68        2.11825   0.00000   0.00008   0.00000   0.00008   2.11833
   A69        1.90206  -0.00001   0.00001  -0.00002   0.00000   1.90205
   A70        2.18847   0.00000   0.00001   0.00000   0.00001   2.18849
   A71        2.19218   0.00001  -0.00002   0.00002   0.00001   2.19218
   A72        1.91670   0.00001   0.00000   0.00002   0.00001   1.91671
   A73        2.18688  -0.00001  -0.00002  -0.00002  -0.00004   2.18684
   A74        2.17886   0.00000   0.00002   0.00000   0.00002   2.17888
   A75        1.86185  -0.00001   0.00000  -0.00001  -0.00001   1.86184
   A76        2.19996   0.00000  -0.00016  -0.00003  -0.00019   2.19978
   A77        2.19586   0.00000   0.00020  -0.00001   0.00019   2.19605
   A78        1.94204   0.00000   0.00002   0.00000   0.00002   1.94206
   A79        1.94050  -0.00001   0.00001  -0.00002  -0.00001   1.94049
   A80        1.92535   0.00000   0.00005  -0.00001   0.00004   1.92539
   A81        1.89016   0.00000  -0.00004   0.00001  -0.00003   1.89013
   A82        1.87709   0.00000  -0.00001   0.00000  -0.00001   1.87708
   A83        1.88655   0.00000  -0.00005   0.00003  -0.00002   1.88653
   A84        1.95892   0.00000   0.00003   0.00002   0.00005   1.95897
   A85        1.90783   0.00000   0.00001   0.00000   0.00001   1.90784
   A86        1.90634   0.00000   0.00003  -0.00003   0.00000   1.90634
   A87        1.91233   0.00000  -0.00001  -0.00001  -0.00003   1.91230
   A88        1.91949   0.00000  -0.00004   0.00002  -0.00002   1.91947
   A89        1.85605   0.00000  -0.00001   0.00000  -0.00001   1.85604
   A90        2.30213   0.00000   0.00014  -0.00001   0.00013   2.30226
   A91        2.15461   0.00000  -0.00012   0.00000  -0.00013   2.15448
   A92        1.82642   0.00000  -0.00001   0.00001   0.00000   1.82642
   A93        1.91777   0.00000   0.00001  -0.00001   0.00000   1.91777
   A94        2.24962   0.00000   0.00001   0.00000   0.00001   2.24962
   A95        2.11579   0.00000  -0.00002   0.00002  -0.00001   2.11579
   A96        1.89978   0.00000   0.00000   0.00000  -0.00001   1.89978
   A97        2.19041   0.00000  -0.00005   0.00001  -0.00004   2.19037
   A98        2.19287   0.00000   0.00005  -0.00001   0.00004   2.19291
   A99        1.91540   0.00001   0.00001   0.00001   0.00002   1.91542
   A100       2.18937   0.00000  -0.00004   0.00002  -0.00002   2.18935
   A101       2.17814   0.00000   0.00003  -0.00003   0.00000   2.17814
   A102       1.86537   0.00000  -0.00001   0.00000  -0.00001   1.86535
   A103       2.21220  -0.00002   0.00006  -0.00006  -0.00001   2.21220
   A104       2.19078   0.00002  -0.00013   0.00006  -0.00007   2.19071
   A105       1.71555  -0.00001   0.00015  -0.00004   0.00012   1.71567
   A106       1.56064   0.00002   0.00015   0.00014   0.00028   1.56093
   A107       1.68676  -0.00002   0.00004  -0.00016  -0.00011   1.68664
   A108       3.00371   0.00001   0.00011   0.00012   0.00023   3.00395
   A109       1.66389   0.00000  -0.00003   0.00009   0.00006   1.66395
   A110       1.72182   0.00001  -0.00018   0.00015  -0.00004   1.72178
   A111       1.61350  -0.00001   0.00016   0.00003   0.00020   1.61370
   A112       1.48494   0.00001  -0.00024   0.00006  -0.00018   1.48475
   A113       2.89454   0.00002  -0.00002  -0.00006  -0.00008   2.89446
   A114       2.90548   0.00000  -0.00011  -0.00015  -0.00026   2.90522
   A115       1.44855  -0.00001  -0.00004   0.00000  -0.00005   1.44850
   A116       1.48796  -0.00002  -0.00022  -0.00015  -0.00038   1.48758
   A117       1.57640   0.00001  -0.00013   0.00001  -0.00012   1.57627
   A118       1.43391   0.00002   0.00018  -0.00003   0.00015   1.43406
   A119       1.42921   0.00001   0.00007  -0.00013  -0.00006   1.42914
   A120       2.10530   0.00000   0.00045   0.00018   0.00063   2.10592
   A121       2.17903  -0.00001  -0.00024  -0.00003  -0.00027   2.17876
   A122       1.76706   0.00000  -0.00020  -0.00019  -0.00040   1.76666
   A123       2.07727   0.00002   0.00049   0.00067   0.00115   2.07842
   A124       2.90892  -0.00001  -0.00032  -0.00039  -0.00071   2.90821
   A125       2.13135  -0.00003  -0.00011  -0.00007  -0.00018   2.13117
   A126       2.11444   0.00003   0.00002   0.00005   0.00008   2.11452
   A127       2.03724   0.00000   0.00008   0.00001   0.00010   2.03734
   A128       2.29603   0.00004  -0.00013   0.00010  -0.00002   2.29601
   A129       2.14578  -0.00003  -0.00010  -0.00009  -0.00018   2.14560
   A130       2.07007   0.00002   0.00005   0.00005   0.00010   2.07018
   A131       2.06704   0.00001   0.00006   0.00003   0.00009   2.06714
   A132       1.98055   0.00001   0.00001   0.00001   0.00003   1.98058
   A133       1.90314   0.00000   0.00000  -0.00003  -0.00003   1.90311
   A134       1.90236   0.00000   0.00001   0.00004   0.00005   1.90241
   A135       1.81991   0.00000   0.00008  -0.00003   0.00005   1.81996
   A136       1.94926  -0.00001  -0.00010   0.00001  -0.00009   1.94917
   A137       1.90579   0.00000   0.00000  -0.00001  -0.00001   1.90578
   A138       2.09869   0.00002   0.00008   0.00004   0.00012   2.09881
   A139       2.03116   0.00001  -0.00015  -0.00001  -0.00015   2.03100
   A140       2.15122  -0.00003   0.00006  -0.00003   0.00004   2.15125
   A141       2.07112  -0.00005  -0.00029  -0.00030  -0.00059   2.07052
   A142       2.06329   0.00001   0.00000   0.00002   0.00002   2.06331
   A143       2.16100  -0.00002   0.00017  -0.00006   0.00012   2.16111
   A144       2.03930   0.00001  -0.00002  -0.00001  -0.00003   2.03927
   A145       1.91486  -0.00001   0.00000  -0.00002  -0.00001   1.91485
   A146       1.89482   0.00000   0.00004  -0.00002   0.00002   1.89484
   A147       1.90497   0.00000  -0.00002  -0.00004  -0.00006   1.90491
   A148       1.91106   0.00000  -0.00003  -0.00001  -0.00004   1.91102
   A149       1.92987   0.00001  -0.00004   0.00007   0.00003   1.92989
   A150       1.90787   0.00000   0.00005   0.00001   0.00006   1.90794
   A151       1.90419   0.00002  -0.00008   0.00012   0.00004   1.90423
   A152       1.90417   0.00000  -0.00001  -0.00006  -0.00006   1.90411
   A153       1.97707  -0.00001   0.00001  -0.00002  -0.00001   1.97705
   A154       1.87649   0.00000   0.00005  -0.00002   0.00003   1.87652
   A155       1.89337   0.00000  -0.00001  -0.00001  -0.00002   1.89335
   A156       1.90596   0.00000   0.00004  -0.00001   0.00003   1.90599
    D1        3.11041   0.00000   0.00002   0.00009   0.00011   3.11053
    D2        1.00658   0.00000   0.00006   0.00005   0.00011   1.00668
    D3       -1.01947   0.00000   0.00004   0.00007   0.00011  -1.01937
    D4        1.01992   0.00000   0.00005   0.00009   0.00014   1.02006
    D5       -1.08392   0.00000   0.00009   0.00005   0.00014  -1.08378
    D6       -3.10996   0.00000   0.00006   0.00007   0.00013  -3.10983
    D7       -1.08909   0.00000  -0.00001   0.00011   0.00009  -1.08900
    D8        3.09026   0.00000   0.00003   0.00006   0.00009   3.09035
    D9        1.06421   0.00000   0.00001   0.00008   0.00009   1.06430
   D10       -2.11752   0.00000  -0.00064   0.00044  -0.00020  -2.11772
   D11        1.02412   0.00000  -0.00042   0.00055   0.00013   1.02424
   D12        0.00270   0.00000  -0.00068   0.00048  -0.00020   0.00250
   D13       -3.13885   0.00001  -0.00047   0.00060   0.00013  -3.13872
   D14        2.01969  -0.00001  -0.00068   0.00043  -0.00025   2.01944
   D15       -1.12186   0.00000  -0.00047   0.00054   0.00007  -1.12178
   D16       -3.13964   0.00000   0.00031   0.00012   0.00044  -3.13921
   D17        0.01565   0.00001   0.00012   0.00027   0.00039   0.01603
   D18        0.00191   0.00000   0.00013   0.00002   0.00015   0.00206
   D19       -3.12599   0.00001  -0.00007   0.00017   0.00010  -3.12588
   D20        3.14036  -0.00001  -0.00030  -0.00027  -0.00057   3.13980
   D21       -0.01465   0.00000  -0.00019   0.00003  -0.00016  -0.01481
   D22       -0.00120  -0.00001  -0.00014  -0.00018  -0.00031  -0.00151
   D23        3.12697   0.00001  -0.00002   0.00012   0.00009   3.12707
   D24       -0.00193   0.00001  -0.00007   0.00014   0.00007  -0.00186
   D25        3.10731   0.00000   0.00039  -0.00025   0.00014   3.10745
   D26        3.12706   0.00000   0.00011   0.00001   0.00011   3.12717
   D27       -0.04689  -0.00001   0.00057  -0.00038   0.00019  -0.04670
   D28        0.00003   0.00002   0.00010   0.00028   0.00037   0.00040
   D29       -3.13621   0.00001  -0.00027   0.00018  -0.00008  -3.13629
   D30       -3.12810   0.00000  -0.00002  -0.00002  -0.00004  -3.12813
   D31        0.01885  -0.00001  -0.00038  -0.00011  -0.00049   0.01836
   D32        0.00114  -0.00002  -0.00001  -0.00025  -0.00027   0.00088
   D33       -3.10835  -0.00001  -0.00049   0.00013  -0.00036  -3.10871
   D34        3.13724  -0.00001   0.00036  -0.00016   0.00020   3.13744
   D35        0.02775   0.00000  -0.00012   0.00023   0.00011   0.02786
   D36        1.94709   0.00000  -0.00027  -0.00024  -0.00050   1.94659
   D37       -2.61416   0.00001  -0.00043  -0.00007  -0.00050  -2.61465
   D38        0.31584   0.00001  -0.00046  -0.00024  -0.00070   0.31514
   D39       -2.33182   0.00001  -0.00061   0.00040  -0.00021  -2.33203
   D40       -1.12752   0.00000  -0.00063  -0.00021  -0.00085  -1.12836
   D41       -1.23308  -0.00001   0.00030  -0.00070  -0.00040  -1.23348
   D42        0.48886   0.00000   0.00014  -0.00054  -0.00040   0.48846
   D43       -2.86433   0.00000   0.00011  -0.00071  -0.00060  -2.86494
   D44        0.77120   0.00000  -0.00005  -0.00007  -0.00011   0.77108
   D45        1.97550  -0.00001  -0.00007  -0.00068  -0.00075   1.97475
   D46        1.06316   0.00000  -0.00001   0.00023   0.00022   1.06338
   D47       -3.09795   0.00000   0.00001   0.00018   0.00020  -3.09775
   D48       -1.04514   0.00000   0.00007   0.00019   0.00026  -1.04488
   D49       -1.03592   0.00000  -0.00016   0.00028   0.00012  -1.03580
   D50        1.08615   0.00000  -0.00013   0.00023   0.00010   1.08626
   D51        3.13897   0.00000  -0.00007   0.00024   0.00016   3.13913
   D52       -3.12571   0.00000  -0.00004   0.00023   0.00019  -3.12552
   D53       -1.00364   0.00000  -0.00001   0.00018   0.00017  -1.00347
   D54        1.04918   0.00000   0.00005   0.00018   0.00023   1.04941
   D55       -1.08525   0.00000   0.00013   0.00017   0.00030  -1.08495
   D56        1.04057   0.00000   0.00016   0.00009   0.00024   1.04081
   D57        3.11686   0.00000   0.00013   0.00011   0.00024   3.11710
   D58        3.06905   0.00001   0.00018   0.00021   0.00040   3.06945
   D59       -1.08832   0.00000   0.00020   0.00013   0.00034  -1.08798
   D60        0.98797   0.00000   0.00018   0.00016   0.00034   0.98831
   D61        1.03511   0.00000   0.00009   0.00020   0.00029   1.03540
   D62       -3.12226   0.00000   0.00011   0.00012   0.00023  -3.12203
   D63       -1.04596   0.00000   0.00009   0.00014   0.00023  -1.04573
   D64       -0.87927  -0.00001   0.00044  -0.00035   0.00009  -0.87918
   D65        2.22549   0.00000   0.00056  -0.00013   0.00043   2.22592
   D66       -3.02669   0.00000   0.00043  -0.00028   0.00014  -3.02654
   D67        0.07807   0.00001   0.00055  -0.00006   0.00049   0.07856
   D68        1.21119   0.00000   0.00051  -0.00032   0.00019   1.21138
   D69       -1.96724   0.00001   0.00063  -0.00010   0.00053  -1.96670
   D70        2.98503   0.00001   0.00088   0.00030   0.00118   2.98621
   D71       -0.11766   0.00000   0.00076   0.00007   0.00082  -0.11683
   D72       -2.99405  -0.00001  -0.00021  -0.00016  -0.00036  -2.99441
   D73        0.11002   0.00000  -0.00009   0.00007  -0.00002   0.11000
   D74        0.00349   0.00000  -0.00184  -0.00016  -0.00201   0.00148
   D75        0.23357   0.00000  -0.00168  -0.00162  -0.00329   0.23028
   D76       -1.04725   0.00000   0.00014  -0.00010   0.00004  -1.04721
   D77        1.07497   0.00000   0.00010  -0.00011  -0.00001   1.07496
   D78        3.09790   0.00000   0.00004  -0.00005  -0.00001   3.09789
   D79       -3.13560   0.00000   0.00012  -0.00006   0.00006  -3.13553
   D80       -1.01338   0.00000   0.00008  -0.00007   0.00001  -1.01337
   D81        1.00955   0.00000   0.00002   0.00000   0.00002   1.00957
   D82        1.06177   0.00000   0.00012  -0.00008   0.00004   1.06181
   D83       -3.09920   0.00000   0.00008  -0.00009  -0.00001  -3.09921
   D84       -1.07626   0.00000   0.00002  -0.00003  -0.00001  -1.07627
   D85       -0.08761   0.00000   0.00168   0.00131   0.00299  -0.08462
   D86        3.03181   0.00000   0.00099   0.00126   0.00225   3.03406
   D87       -2.20819   0.00000   0.00168   0.00132   0.00300  -2.20519
   D88        0.91123   0.00000   0.00098   0.00128   0.00226   0.91349
   D89        2.04728   0.00000   0.00172   0.00130   0.00301   2.05029
   D90       -1.11649   0.00000   0.00102   0.00125   0.00227  -1.11421
   D91        3.11759   0.00001  -0.00060   0.00008  -0.00052   3.11707
   D92        0.01454   0.00001  -0.00061   0.00001  -0.00060   0.01394
   D93       -0.00466   0.00001   0.00001   0.00012   0.00013  -0.00453
   D94       -3.10771   0.00000   0.00000   0.00005   0.00005  -3.10766
   D95       -3.11803  -0.00001   0.00052  -0.00011   0.00041  -3.11762
   D96       -0.00815   0.00000   0.00079   0.00012   0.00091  -0.00723
   D97        0.00680   0.00000   0.00000  -0.00015  -0.00015   0.00665
   D98        3.11668   0.00000   0.00026   0.00009   0.00035   3.11703
   D99        0.00081  -0.00001  -0.00001  -0.00005  -0.00006   0.00075
   D100      -2.91023  -0.00001  -0.00020   0.00014  -0.00007  -2.91030
   D101       3.10718  -0.00001  -0.00001   0.00002   0.00001   3.10719
   D102       0.19614   0.00000  -0.00020   0.00020   0.00000   0.19614
   D103      -0.00665   0.00000  -0.00001   0.00013   0.00012  -0.00653
   D104       3.09511   0.00000  -0.00010   0.00006  -0.00004   3.09507
   D105      -3.11645  -0.00001  -0.00027  -0.00011  -0.00039  -3.11683
   D106      -0.01469  -0.00001  -0.00037  -0.00018  -0.00055  -0.01523
   D107       0.00358   0.00001   0.00001  -0.00005  -0.00004   0.00354
   D108       2.91532   0.00000   0.00014  -0.00023  -0.00009   2.91522
   D109      -3.09841   0.00000   0.00010   0.00002   0.00013  -3.09828
   D110      -0.18667   0.00000   0.00023  -0.00016   0.00007  -0.18660
   D111      -0.47685   0.00001  -0.00011  -0.00025  -0.00036  -0.47721
   D112      -2.05946  -0.00001  -0.00026  -0.00040  -0.00066  -2.06012
   D113       1.21752  -0.00001  -0.00004  -0.00040  -0.00044   1.21708
   D114       2.79026   0.00000  -0.00019  -0.00040  -0.00059   2.78967
   D115       2.38871   0.00000   0.00147  -0.00027   0.00120   2.38991
   D116       2.93807   0.00001  -0.00030  -0.00003  -0.00033   2.93775
   D117       1.35547  -0.00001  -0.00044  -0.00019  -0.00063   1.35484
   D118      -1.65074  -0.00001  -0.00022  -0.00018  -0.00040  -1.65115
   D119      -0.07800   0.00000  -0.00038  -0.00018  -0.00055  -0.07855
   D120      -0.47955   0.00001   0.00128  -0.00005   0.00123  -0.47832
   D121      -1.05687   0.00000   0.00009  -0.00002   0.00006  -1.05680
   D122       3.10083   0.00000   0.00008  -0.00002   0.00006   3.10089
   D123       1.07668   0.00000   0.00007   0.00000   0.00007   1.07675
   D124       1.05166   0.00000   0.00007  -0.00003   0.00004   1.05170
   D125      -1.07383   0.00000   0.00006  -0.00003   0.00004  -1.07379
   D126      -3.09798   0.00000   0.00005  -0.00001   0.00005  -3.09793
   D127      -3.13877   0.00000   0.00005  -0.00001   0.00004  -3.13873
   D128       1.01892   0.00000   0.00005  -0.00001   0.00004   1.01896
   D129      -1.00522   0.00000   0.00004   0.00001   0.00004  -1.00518
   D130       0.36851   0.00000   0.00060   0.00036   0.00096   0.36948
   D131      -2.76527   0.00001   0.00035   0.00042   0.00078  -2.76449
   D132       2.49143   0.00000   0.00062   0.00036   0.00099   2.49242
   D133      -0.64235   0.00001   0.00037   0.00043   0.00080  -0.64155
   D134      -1.75754   0.00000   0.00058   0.00036   0.00094  -1.75660
   D135       1.39186   0.00001   0.00033   0.00043   0.00076   1.39261
   D136      -3.12728   0.00000  -0.00018   0.00000  -0.00019  -3.12746
   D137       0.01179   0.00001  -0.00031   0.00014  -0.00017   0.01162
   D138       0.00758   0.00000   0.00003  -0.00006  -0.00003   0.00755
   D139      -3.13654   0.00000  -0.00009   0.00008  -0.00001  -3.13655
   D140       3.12802   0.00000   0.00015   0.00001   0.00015   3.12817
   D141       0.00267   0.00000   0.00030  -0.00006   0.00024   0.00291
   D142      -0.00756   0.00000  -0.00005   0.00006   0.00001  -0.00756
   D143      -3.13291   0.00000   0.00011  -0.00001   0.00010  -3.13282
   D144      -0.00484   0.00000  -0.00001   0.00004   0.00004  -0.00481
   D145       2.95954   0.00000  -0.00053  -0.00001  -0.00054   2.95900
   D146       3.13905   0.00000   0.00011  -0.00009   0.00002   3.13907
   D147      -0.17975  -0.00001  -0.00041  -0.00014  -0.00056  -0.18031
   D148       0.00491   0.00000   0.00005  -0.00003   0.00001   0.00492
   D149      -3.11241  -0.00001  -0.00008  -0.00011  -0.00019  -3.11260
   D150       3.13023   0.00000  -0.00011   0.00003  -0.00008   3.13015
   D151       0.01291   0.00000  -0.00024  -0.00004  -0.00028   0.01263
   D152      -0.00009   0.00000  -0.00003  -0.00001  -0.00003  -0.00012
   D153      -2.96726   0.00001   0.00047   0.00006   0.00053  -2.96673
   D154       3.11742   0.00001   0.00010   0.00007   0.00017   3.11759
   D155       0.15025   0.00001   0.00059   0.00014   0.00073   0.15099
   D156      -1.44250   0.00001  -0.00016   0.00034   0.00019  -1.44232
   D157       0.27317   0.00000   0.00002   0.00033   0.00035   0.27352
   D158       2.80039   0.00001  -0.00080   0.00076  -0.00004   2.80034
   D159       1.73768   0.00000  -0.00021   0.00037   0.00016   1.73784
   D160      -3.10757   0.00001  -0.00012   0.00026   0.00014  -3.10743
   D161       1.49031   0.00000  -0.00076   0.00027  -0.00049   1.48982
   D162      -3.07720  -0.00001  -0.00058   0.00026  -0.00032  -3.07752
   D163      -0.54998   0.00000  -0.00140   0.00068  -0.00072  -0.55070
   D164      -1.61269   0.00000  -0.00081   0.00030  -0.00051  -1.61321
   D165      -0.17475   0.00001  -0.00072   0.00019  -0.00053  -0.17528
   D166       1.75476  -0.00001   0.00014  -0.00017  -0.00003   1.75474
   D167      -0.57520  -0.00001   0.00020  -0.00003   0.00017  -0.57502
   D168       0.03306   0.00000  -0.00004  -0.00013  -0.00016   0.03289
   D169      -2.29690   0.00000   0.00002   0.00001   0.00004  -2.29687
   D170      -2.50153  -0.00001   0.00079  -0.00056   0.00023  -2.50130
   D171       1.45170  -0.00001   0.00085  -0.00042   0.00043   1.45213
   D172      -1.45204  -0.00001   0.00021  -0.00019   0.00002  -1.45201
   D173       2.50119  -0.00001   0.00027  -0.00005   0.00022   2.50141
   D174      -2.87912  -0.00001   0.00012  -0.00005   0.00007  -2.87905
   D175       1.07410  -0.00001   0.00019   0.00008   0.00027   1.07437
   D176       1.01181   0.00000  -0.00092  -0.00091  -0.00183   1.00998
   D177       3.03055   0.00000  -0.00125  -0.00030  -0.00155   3.02900
   D178       1.29631  -0.00001  -0.00111  -0.00044  -0.00154   1.29477
   D179      -1.63945  -0.00001  -0.00108  -0.00027  -0.00134  -1.64079
   D180      -0.20774   0.00001  -0.00088  -0.00030  -0.00117  -0.20891
   D181       2.08884  -0.00001   0.00011  -0.00027  -0.00016   2.08867
   D182      -0.77847   0.00000  -0.00147  -0.00024  -0.00171  -0.78019
   D183      -2.64154   0.00001   0.00023  -0.00015   0.00008  -2.64145
   D184       0.41341   0.00001   0.00005  -0.00010  -0.00005   0.41336
   D185      -1.18274   0.00000   0.00021  -0.00013   0.00009  -1.18265
   D186      -2.39477   0.00001   0.00144   0.00009   0.00153  -2.39324
   D187       0.09458   0.00001   0.00129   0.00000   0.00130   0.09588
   D188       2.10662   0.00000   0.00085   0.00158   0.00244   2.10906
   D189      -0.34509   0.00000   0.00065   0.00157   0.00222  -0.34286
   D190       0.90289   0.00000   0.00110   0.00045   0.00155   0.90445
   D191      -2.25802   0.00001   0.00126   0.00013   0.00139  -2.25663
   D192       0.07690   0.00000  -0.00038  -0.00013  -0.00050   0.07640
   D193      -3.09087   0.00000   0.00029  -0.00027   0.00002  -3.09084
   D194      -3.04618   0.00000  -0.00053   0.00018  -0.00035  -3.04653
   D195       0.06924  -0.00001   0.00014   0.00004   0.00017   0.06942
   D196      -1.14843   0.00000  -0.00036   0.00029  -0.00007  -1.14850
   D197       0.89696   0.00000  -0.00035   0.00030  -0.00005   0.89691
   D198       3.02389  -0.00001  -0.00030   0.00023  -0.00006   3.02383
   D199       1.97484   0.00000  -0.00021  -0.00002  -0.00023   1.97461
   D200      -2.26296   0.00000  -0.00020  -0.00001  -0.00021  -2.26316
   D201      -0.13602   0.00000  -0.00014  -0.00008  -0.00022  -0.13624
   D202      -1.44553   0.00000   0.00028   0.00022   0.00049  -1.44504
   D203       0.57449   0.00000   0.00038   0.00017   0.00056   0.57505
   D204       2.65354   0.00000   0.00039   0.00017   0.00056   2.65410
   D205       1.72219   0.00000  -0.00039   0.00036  -0.00003   1.72216
   D206      -2.54097   0.00001  -0.00028   0.00031   0.00003  -2.54094
   D207      -0.46192   0.00001  -0.00027   0.00031   0.00004  -0.46188
   D208       0.69583   0.00001  -0.00068  -0.00054  -0.00122   0.69461
   D209      -2.51351   0.00000  -0.00072  -0.00038  -0.00110  -2.51461
   D210      -1.37281   0.00001  -0.00074  -0.00050  -0.00124  -1.37404
   D211       1.70104   0.00000  -0.00078  -0.00034  -0.00112   1.69992
   D212       2.85456   0.00001  -0.00074  -0.00047  -0.00121   2.85335
   D213      -0.35478   0.00000  -0.00078  -0.00032  -0.00109  -0.35588
   D214       1.01108   0.00001   0.00041   0.00053   0.00094   1.01203
   D215      -2.05792   0.00001   0.00046   0.00036   0.00082  -2.05709
   D216       0.00077   0.00000   0.00066  -0.00028   0.00037   0.00114
   D217      -2.92238   0.00000  -0.00020  -0.00001  -0.00021  -2.92258
   D218       3.07237  -0.00001   0.00062  -0.00012   0.00050   3.07287
   D219       0.14922  -0.00001  -0.00024   0.00016  -0.00008   0.14914
   D220      -2.44206   0.00000   0.00013   0.00018   0.00031  -2.44174
   D221      -0.35421  -0.00001   0.00012   0.00015   0.00027  -0.35394
   D222       1.72401  -0.00001   0.00019   0.00014   0.00033   1.72433
   D223       0.91522   0.00000  -0.00072   0.00045  -0.00027   0.91496
   D224       3.00307  -0.00001  -0.00073   0.00043  -0.00031   3.00276
   D225      -1.20190  -0.00001  -0.00066   0.00041  -0.00025  -1.20215
         Item               Value     Threshold  Converged?
 Maximum Force            0.000169     0.000450     YES
 RMS     Force            0.000015     0.000300     YES
 Maximum Displacement     0.008496     0.001800     NO 
 RMS     Displacement     0.001113     0.001200     YES
 Predicted change in Energy=-3.485987D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.068465    2.544632    3.558114
      2          6           0       -3.328876    1.185220    3.656140
      3          6           0       -2.080011    1.112163    2.821857
      4          6           0       -1.696926    0.259989    1.796910
      5          7           0       -1.000935    1.996949    2.980187
      6          6           0       -0.023755    1.663547    2.074685
      7          7           0       -0.413704    0.611684    1.339924
      8          6           0       -5.229485    0.900556    0.147537
      9          6           0       -5.871036   -0.170822   -0.761325
     10          6           0       -5.243525   -1.574478   -0.575514
     11          6           0       -3.763463   -1.573087   -0.949065
     12          8           0       -3.374498   -1.087145   -2.061959
     13          8           0       -2.910305   -2.060607   -0.042592
     14          6           0       -2.267860    4.236274   -2.987145
     15          6           0       -0.995380    3.836393   -3.763045
     16          6           0       -0.193635    2.761517   -3.077035
     17          6           0       -0.322010    2.122080   -1.853410
     18          7           0        0.930311    2.164079   -3.673471
     19          6           0        1.429016    1.205371   -2.826026
     20          7           0        0.690402    1.157745   -1.708961
     21          6           0        4.688203    4.004380    1.480157
     22          6           0        5.165066    2.625758    1.986746
     23          6           0        4.195744    1.526382    1.644045
     24          6           0        3.202402    1.433813    0.679537
     25          7           0        4.141283    0.301537    2.328489
     26          6           0        3.140447   -0.469395    1.781656
     27          7           0        2.555251    0.194623    0.779265
     28         30           0        0.757146   -0.394788   -0.219866
     29          1           0       -4.983342    2.522917    4.161662
     30          1           0       -4.347832    2.763404    2.521562
     31          1           0       -3.451074    3.374714    3.928678
     32          1           0       -3.997391    0.382709    3.326613
     33          1           0       -3.090285    0.977281    4.710125
     34          1           0       -2.251545   -0.557771    1.359164
     35          1           0       -0.958226    2.759786    3.643272
     36          1           0        0.916269    2.182773    1.987159
     37          1           0       -4.160170    1.011795   -0.072691
     38          1           0       -5.336201    0.629134    1.207533
     39          1           0       -5.710557    1.876905   -0.000411
     40          1           0       -6.948818   -0.232442   -0.553921
     41          1           0       -5.754670    0.122244   -1.811995
     42          1           0       -5.351570   -1.923422    0.457840
     43          1           0       -5.761622   -2.289109   -1.230664
     44          1           0       -2.937320    3.377501   -2.859581
     45          1           0       -2.813608    5.014045   -3.532640
     46          1           0       -2.020775    4.633071   -1.994387
     47          1           0       -1.283800    3.485939   -4.765484
     48          1           0       -0.366399    4.727181   -3.913543
     49          1           0       -1.075093    2.262068   -1.096354
     50          1           0        1.293922    2.385603   -4.591768
     51          1           0        2.263929    0.558895   -3.039887
     52          1           0        4.578093    4.011014    0.388961
     53          1           0        3.724027    4.278252    1.925153
     54          1           0        5.416760    4.779242    1.743398
     55          1           0        5.304611    2.667216    3.076992
     56          1           0        6.152765    2.403576    1.556499
     57          1           0        2.911446    2.157641   -0.063481
     58          1           0        4.731793    0.036278    3.106718
     59          1           0        2.851334   -1.450520    2.120935
     60          8           0       -0.791638   -1.394743   -1.067215
     61          1           0       -1.210785   -1.063473   -1.893609
     62          1           0       -1.671517   -1.778338   -0.518486
     63          6           0        2.982670   -2.520041   -1.578450
     64          8           0        2.282278   -1.470782   -1.706441
     65          7           0        2.440661   -3.712035   -1.185543
     66          6           0        1.003952   -3.901576   -0.971353
     67          6           0        0.525437   -3.439207    0.412757
     68          8           0        0.992646   -2.370162    0.930745
     69          7           0       -0.451632   -4.173407    0.985321
     70          1           0        0.450212   -3.266931   -1.675112
     71          1           0        0.751139   -4.950844   -1.157130
     72          1           0        3.056340   -4.506048   -1.057349
     73          1           0       -0.808268   -4.976720    0.477843
     74          6           0       -1.216783   -3.740732    2.170788
     75          1           0       -1.372843   -4.592561    2.840731
     76          1           0       -0.645864   -2.968506    2.690218
     77          1           0       -2.177823   -3.324679    1.846231
     78          6           0        4.470177   -2.513235   -1.881832
     79          1           0        4.617124   -2.330990   -2.953024
     80          1           0        4.942540   -1.688087   -1.339410
     81          1           0        4.969934   -3.450830   -1.617547
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968918      0.0726843      0.0659877
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4910.9694343455 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122063.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000092   -0.000057   -0.000095 Ang=  -0.02 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581683     A.U. after    8 cycles
            NFock=  8  Conv=0.39D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122063.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000009653   -0.000032136   -0.000006600
      3        6           0.000027645   -0.000007920   -0.000023940
      4        6          -0.000059911    0.000027082    0.000035067
      5        7          -0.000009042   -0.000010873    0.000000501
      6        6          -0.000006289    0.000000260   -0.000004401
      7        7           0.000062091    0.000008495   -0.000037592
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000004957    0.000016641   -0.000012571
     10        6          -0.000017262   -0.000015078    0.000015412
     11        6           0.000055194    0.000009205   -0.000043226
     12        8          -0.000042420   -0.000011275    0.000018125
     13        8           0.000113382    0.000087150    0.000071753
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000001699   -0.000014728   -0.000010613
     16        6           0.000034076    0.000033253    0.000017613
     17        6           0.000004848   -0.000030501   -0.000006299
     18        7          -0.000037045    0.000006585   -0.000016672
     19        6           0.000027341   -0.000004438   -0.000002952
     20        7          -0.000004984   -0.000003479    0.000035272
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000001458    0.000002369    0.000005068
     23        6          -0.000019196    0.000009421   -0.000012830
     24        6           0.000013382   -0.000009516    0.000017592
     25        7           0.000013484   -0.000004880    0.000007665
     26        6          -0.000009375   -0.000010280    0.000006992
     27        7          -0.000014883    0.000037161    0.000026336
     28       30          -0.000044706   -0.000014658   -0.000081353
     29        1           0.000006579    0.000007437    0.000006362
     30        1          -0.000000022   -0.000004804   -0.000001991
     31        1          -0.000006034   -0.000011885    0.000002664
     32        1           0.000006450    0.000014183   -0.000002140
     33        1          -0.000011576    0.000007355    0.000013611
     34        1           0.000001440   -0.000015045   -0.000002055
     35        1           0.000002084    0.000010036    0.000007792
     36        1          -0.000004723    0.000003649    0.000003346
     37        1          -0.000005347    0.000005470   -0.000002489
     38        1          -0.000010034    0.000003742    0.000002956
     39        1          -0.000011937    0.000009868   -0.000002165
     40        1          -0.000000902   -0.000001439   -0.000004264
     41        1           0.000003579   -0.000003187    0.000002360
     42        1          -0.000004440   -0.000006820   -0.000000287
     43        1          -0.000001913    0.000005316   -0.000001269
     44        1           0.000001519   -0.000008057    0.000000055
     45        1           0.000005707    0.000000818    0.000001934
     46        1          -0.000005023   -0.000003578    0.000006696
     47        1           0.000000627   -0.000004420    0.000005377
     48        1          -0.000005380    0.000002756    0.000007569
     49        1           0.000000968    0.000009752   -0.000009590
     50        1           0.000000797   -0.000005332    0.000003641
     51        1          -0.000001383    0.000006227   -0.000003880
     52        1          -0.000001808   -0.000000480   -0.000002649
     53        1          -0.000011703    0.000004524   -0.000005578
     54        1          -0.000006846   -0.000001654   -0.000000333
     55        1          -0.000001756    0.000002469   -0.000001099
     56        1           0.000002341   -0.000005068   -0.000001631
     57        1          -0.000008342   -0.000003928   -0.000006626
     58        1          -0.000000058    0.000003582   -0.000000645
     59        1          -0.000000937    0.000001038   -0.000007603
     60        8           0.000095300    0.000103907    0.000071022
     61        1           0.000045109   -0.000019948   -0.000006199
     62        1          -0.000226256   -0.000147245   -0.000103017
     63        6          -0.000000185   -0.000086121   -0.000055510
     64        8          -0.000020731    0.000043293    0.000041625
     65        7          -0.000025516    0.000048250    0.000034997
     66        6           0.000024847   -0.000015735    0.000004013
     67        6          -0.000021830    0.000034613   -0.000034329
     68        8           0.000028968   -0.000056356    0.000030273
     69        7          -0.000031048    0.000012959   -0.000018912
     70        1          -0.000002405   -0.000001307   -0.000006769
     71        1           0.000000179   -0.000003833    0.000002173
     72        1           0.000005086    0.000004003   -0.000011482
     73        1           0.000003339   -0.000000822   -0.000001373
     74        6           0.000041446    0.000009257    0.000022505
     75        1          -0.000008380   -0.000008654   -0.000005917
     76        1          -0.000004990    0.000000404    0.000005961
     77        1          -0.000007024   -0.000017711    0.000008100
     78        6           0.000032511    0.000019007    0.000000617
     79        1          -0.000009178   -0.000001616    0.000004855
     80        1          -0.000004394   -0.000006138    0.000002350
     81        1          -0.000000294    0.000002214    0.000002225
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000226256 RMS     0.000029817

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000158741 RMS     0.000012900
 Search for a local minimum.
 Step number  46 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46
 DE= -3.52D-07 DEPred=-3.49D-07 R= 1.01D+00
 Trust test= 1.01D+00 RLast= 1.22D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  0  1  0
     Eigenvalues ---    0.00069   0.00100   0.00122   0.00203   0.00230
     Eigenvalues ---    0.00231   0.00233   0.00240   0.00297   0.00335
     Eigenvalues ---    0.00408   0.00523   0.00545   0.00570   0.00677
     Eigenvalues ---    0.00687   0.00779   0.00832   0.00886   0.00945
     Eigenvalues ---    0.01143   0.01228   0.01255   0.01349   0.01410
     Eigenvalues ---    0.01523   0.01643   0.01749   0.01783   0.01801
     Eigenvalues ---    0.01812   0.01851   0.01920   0.01937   0.02011
     Eigenvalues ---    0.02063   0.02162   0.02241   0.02288   0.02330
     Eigenvalues ---    0.02344   0.02475   0.02649   0.02872   0.03040
     Eigenvalues ---    0.03447   0.03530   0.03795   0.03927   0.04002
     Eigenvalues ---    0.04090   0.04128   0.04249   0.04346   0.04525
     Eigenvalues ---    0.04768   0.04843   0.04921   0.05097   0.05279
     Eigenvalues ---    0.05324   0.05381   0.05391   0.05412   0.05438
     Eigenvalues ---    0.05465   0.05490   0.05510   0.05516   0.05544
     Eigenvalues ---    0.05559   0.05847   0.06230   0.06375   0.06900
     Eigenvalues ---    0.07262   0.07479   0.07660   0.07808   0.08300
     Eigenvalues ---    0.08415   0.08693   0.09148   0.09323   0.09483
     Eigenvalues ---    0.09676   0.09890   0.10207   0.10499   0.10888
     Eigenvalues ---    0.11949   0.12218   0.12477   0.12870   0.12958
     Eigenvalues ---    0.12992   0.13362   0.13694   0.14305   0.14626
     Eigenvalues ---    0.15071   0.15752   0.15841   0.15874   0.15936
     Eigenvalues ---    0.15974   0.15983   0.15990   0.15993   0.15995
     Eigenvalues ---    0.15997   0.16000   0.16003   0.16004   0.16006
     Eigenvalues ---    0.16008   0.16011   0.16013   0.16026   0.16035
     Eigenvalues ---    0.16045   0.16051   0.16067   0.16085   0.16111
     Eigenvalues ---    0.16155   0.16220   0.16298   0.16378   0.16473
     Eigenvalues ---    0.16597   0.18059   0.19941   0.20696   0.20912
     Eigenvalues ---    0.21212   0.22025   0.22366   0.22406   0.22781
     Eigenvalues ---    0.22929   0.23093   0.23218   0.23429   0.23663
     Eigenvalues ---    0.23900   0.24078   0.24464   0.24756   0.25021
     Eigenvalues ---    0.25139   0.25981   0.27227   0.27683   0.28063
     Eigenvalues ---    0.28226   0.28335   0.28531   0.29272   0.30042
     Eigenvalues ---    0.30694   0.31003   0.31539   0.31657   0.31926
     Eigenvalues ---    0.33244   0.33593   0.33630   0.33660   0.33668
     Eigenvalues ---    0.33691   0.33786   0.33815   0.33862   0.33903
     Eigenvalues ---    0.33919   0.33939   0.33965   0.33986   0.34003
     Eigenvalues ---    0.34011   0.34036   0.34068   0.34086   0.34090
     Eigenvalues ---    0.34134   0.34167   0.34181   0.34195   0.34201
     Eigenvalues ---    0.34290   0.34305   0.34348   0.34628   0.35110
     Eigenvalues ---    0.35392   0.35764   0.36090   0.36236   0.36334
     Eigenvalues ---    0.36474   0.36546   0.36767   0.37362   0.39106
     Eigenvalues ---    0.39328   0.40069   0.42372   0.42696   0.42870
     Eigenvalues ---    0.45303   0.45389   0.45466   0.45583   0.45587
     Eigenvalues ---    0.45636   0.45842   0.46148   0.48739   0.49181
     Eigenvalues ---    0.49402   0.49878   0.50551   0.52599   0.54472
     Eigenvalues ---    0.54891   0.55084   0.56646   0.65697   0.73480
     Eigenvalues ---    0.766181000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    46   45   44   43   42
 RFO step:  Lambda=-1.69849886D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.55525   -0.05821   -0.80921    0.06718    0.24499
 Iteration  1 RMS(Cart)=  0.00105400 RMS(Int)=  0.00000092
 Iteration  2 RMS(Cart)=  0.00000162 RMS(Int)=  0.00000039
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000039
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449  -0.00001   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762  -0.00001   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00003   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00002   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969  -0.00001   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00001   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140  -0.00002   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00001   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00002   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468  -0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93036   0.00000   0.00008  -0.00003   0.00005   2.93040
    R2        2.07159   0.00001   0.00000   0.00001   0.00001   2.07161
    R3        2.07039   0.00000   0.00007  -0.00002   0.00005   2.07044
    R4        2.07657   0.00001   0.00007  -0.00001   0.00006   2.07663
    R5        2.84153   0.00001   0.00004   0.00000   0.00004   2.84156
    R6        2.06968   0.00001   0.00008  -0.00001   0.00007   2.06975
    R7        2.07960   0.00002   0.00009   0.00000   0.00009   2.07969
    R8        2.62085   0.00001   0.00002  -0.00001   0.00001   2.62086
    R9        2.65392   0.00000  -0.00002   0.00002  -0.00001   2.65391
   R10        2.65853  -0.00001  -0.00009   0.00001  -0.00008   2.65845
   R11        2.04226  -0.00001  -0.00002   0.00000  -0.00002   2.04224
   R12        2.59517   0.00000   0.00008  -0.00003   0.00005   2.59523
   R13        1.91173   0.00000   0.00000   0.00000   0.00001   1.91174
   R14        2.53417   0.00000  -0.00001   0.00002   0.00001   2.53418
   R15        2.03609   0.00000  -0.00001   0.00000   0.00000   2.03608
   R16        4.14743   0.00000  -0.00031   0.00005  -0.00026   4.14717
   R17        2.91867   0.00001   0.00003   0.00001   0.00005   2.91872
   R18        2.07380   0.00000  -0.00002   0.00001  -0.00001   2.07379
   R19        2.07754   0.00000   0.00002   0.00000   0.00002   2.07756
   R20        2.07576  -0.00002   0.00002  -0.00002  -0.00001   2.07575
   R21        2.92666   0.00000   0.00000   0.00000   0.00000   2.92666
   R22        2.07735   0.00000   0.00000   0.00000   0.00000   2.07735
   R23        2.07297   0.00000  -0.00002   0.00000  -0.00002   2.07295
   R24        2.88462  -0.00002   0.00004  -0.00003   0.00001   2.88463
   R25        2.07117   0.00000   0.00002  -0.00001   0.00000   2.07118
   R26        2.07728   0.00000   0.00001   0.00000   0.00001   2.07728
   R27        2.40965   0.00000   0.00008   0.00003   0.00011   2.40977
   R28        2.52634   0.00002   0.00004  -0.00005  -0.00001   2.52633
   R29        4.10143  -0.00002  -0.00156  -0.00217  -0.00373   4.09770
   R30        2.56387   0.00016   0.00112   0.00089   0.00201   2.56588
   R31        2.91602  -0.00001  -0.00001  -0.00002  -0.00003   2.91600
   R32        2.07176  -0.00001   0.00001  -0.00001   0.00000   2.07176
   R33        2.07038   0.00000   0.00000   0.00000   0.00000   2.07038
   R34        2.07360   0.00001   0.00001   0.00001   0.00002   2.07361
   R35        2.84638   0.00000  -0.00001   0.00000  -0.00001   2.84637
   R36        2.07946  -0.00001   0.00000  -0.00001   0.00000   2.07946
   R37        2.08022   0.00000   0.00001   0.00000   0.00001   2.08023
   R38        2.62027  -0.00001   0.00001  -0.00002  -0.00001   2.62026
   R39        2.65634   0.00002  -0.00002   0.00004   0.00002   2.65636
   R40        2.65625   0.00001   0.00000   0.00002   0.00002   2.65627
   R41        2.03518   0.00000  -0.00001   0.00000  -0.00001   2.03517
   R42        2.59519  -0.00001   0.00000  -0.00002  -0.00002   2.59517
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53227   0.00000  -0.00001  -0.00001  -0.00001   2.53226
   R45        2.03595   0.00000   0.00000   0.00000   0.00000   2.03595
   R46        4.06718   0.00000   0.00008  -0.00001   0.00007   4.06725
   R47        2.91816   0.00001  -0.00003   0.00003   0.00000   2.91816
   R48        2.07257   0.00000   0.00000   0.00000   0.00001   2.07258
   R49        2.07239  -0.00001   0.00001  -0.00002  -0.00001   2.07238
   R50        2.07052   0.00000   0.00001   0.00000   0.00001   2.07054
   R51        2.84443   0.00000   0.00002   0.00000   0.00003   2.84446
   R52        2.07855   0.00000   0.00000   0.00000   0.00000   2.07855
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62228   0.00000   0.00000   0.00000   0.00000   2.62228
   R55        2.65348   0.00000   0.00004  -0.00002   0.00003   2.65351
   R56        2.64854   0.00001   0.00006   0.00001   0.00007   2.64861
   R57        2.03587   0.00000   0.00000   0.00000   0.00001   2.03588
   R58        2.60140   0.00000   0.00000   0.00000   0.00000   2.60140
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52698   0.00000  -0.00001   0.00000  -0.00001   2.52698
   R61        2.03644   0.00000   0.00000   0.00000   0.00000   2.03644
   R62        4.04368   0.00003   0.00083  -0.00006   0.00077   4.04445
   R63        3.83416   0.00001   0.00011  -0.00004   0.00007   3.83424
   R64        4.50916  -0.00001  -0.00081  -0.00027  -0.00108   4.50808
   R65        4.34286  -0.00003  -0.00011   0.00038   0.00027   4.34313
   R66        1.85958   0.00002   0.00003   0.00008   0.00011   1.85969
   R67        2.08935  -0.00013  -0.00060  -0.00044  -0.00104   2.08831
   R68        2.39621  -0.00003   0.00000   0.00000   0.00000   2.39621
   R69        2.58347   0.00004   0.00006   0.00001   0.00007   2.58354
   R70        2.86888  -0.00002  -0.00008  -0.00003  -0.00011   2.86877
   R71        2.76826   0.00001  -0.00002  -0.00002  -0.00003   2.76823
   R72        1.91409   0.00000   0.00000   0.00000   0.00000   1.91409
   R73        2.90214   0.00000   0.00007  -0.00002   0.00005   2.90219
   R74        2.07412   0.00000  -0.00002   0.00001  -0.00001   2.07411
   R75        2.06957   0.00000   0.00001  -0.00001   0.00000   2.06956
   R76        2.41224   0.00002   0.00004   0.00002   0.00006   2.41230
   R77        2.55046   0.00000  -0.00003   0.00000  -0.00003   2.55043
   R78        1.91790   0.00000   0.00000   0.00000   0.00000   1.91789
   R79        2.78886   0.00004   0.00003   0.00004   0.00008   2.78894
   R80        2.06905  -0.00001   0.00000  -0.00001  -0.00001   2.06904
   R81        2.06326   0.00001   0.00001   0.00000   0.00002   2.06327
   R82        2.07185  -0.00001   0.00000  -0.00001  -0.00001   2.07184
   R83        2.07204   0.00000   0.00002  -0.00002   0.00000   2.07204
   R84        2.06855   0.00001  -0.00001   0.00002   0.00001   2.06856
   R85        2.06896   0.00000   0.00001   0.00000   0.00001   2.06897
    A1        1.92396   0.00000  -0.00006   0.00000  -0.00006   1.92390
    A2        1.93529   0.00000   0.00004   0.00000   0.00003   1.93532
    A3        1.95297   0.00000   0.00002  -0.00001   0.00001   1.95297
    A4        1.88813   0.00000   0.00000   0.00001   0.00001   1.88815
    A5        1.87359   0.00000   0.00001   0.00002   0.00003   1.87362
    A6        1.88754   0.00000   0.00000  -0.00002  -0.00002   1.88751
    A7        1.98629   0.00002   0.00015   0.00003   0.00018   1.98647
    A8        1.90945  -0.00001  -0.00004   0.00001  -0.00003   1.90942
    A9        1.90667   0.00000   0.00001  -0.00001   0.00000   1.90668
   A10        1.88013   0.00000  -0.00002   0.00002   0.00000   1.88012
   A11        1.91999  -0.00001  -0.00011  -0.00003  -0.00014   1.91985
   A12        1.85672   0.00000  -0.00001  -0.00002  -0.00002   1.85670
   A13        2.30406   0.00002  -0.00002   0.00002   0.00000   2.30406
   A14        2.14718  -0.00001   0.00003  -0.00003   0.00000   2.14718
   A15        1.83195  -0.00001  -0.00001   0.00001   0.00000   1.83195
   A16        1.91601   0.00001   0.00001   0.00000   0.00001   1.91602
   A17        2.24277   0.00000   0.00001  -0.00003  -0.00002   2.24275
   A18        2.12432  -0.00001  -0.00002   0.00004   0.00001   2.12434
   A19        1.89594   0.00000   0.00000   0.00000   0.00000   1.89593
   A20        2.19124  -0.00001  -0.00004  -0.00001  -0.00005   2.19120
   A21        2.19593   0.00001   0.00004   0.00001   0.00005   2.19598
   A22        1.92281   0.00000  -0.00005   0.00001  -0.00004   1.92277
   A23        2.16200   0.00000   0.00003  -0.00001   0.00002   2.16202
   A24        2.19836   0.00000   0.00002   0.00000   0.00002   2.19838
   A25        1.85807   0.00000   0.00004  -0.00001   0.00004   1.85811
   A26        2.21783   0.00002   0.00015   0.00004   0.00019   2.21802
   A27        2.20678  -0.00002  -0.00020  -0.00003  -0.00023   2.20655
   A28        1.93582  -0.00001   0.00002  -0.00004  -0.00002   1.93579
   A29        1.93456   0.00000  -0.00001   0.00000  -0.00001   1.93454
   A30        1.93413   0.00000  -0.00004   0.00004   0.00000   1.93413
   A31        1.88925   0.00000   0.00006  -0.00005   0.00002   1.88927
   A32        1.88559   0.00000  -0.00002   0.00002   0.00000   1.88559
   A33        1.88262   0.00000  -0.00002   0.00004   0.00002   1.88264
   A34        1.97121  -0.00002  -0.00006  -0.00001  -0.00007   1.97113
   A35        1.91252   0.00001  -0.00008   0.00003  -0.00005   1.91248
   A36        1.91159   0.00000   0.00002  -0.00002   0.00000   1.91159
   A37        1.90055   0.00000   0.00006  -0.00001   0.00005   1.90060
   A38        1.89027   0.00001   0.00000   0.00003   0.00003   1.89030
   A39        1.87516   0.00000   0.00007  -0.00002   0.00005   1.87521
   A40        1.94193   0.00002  -0.00004   0.00006   0.00003   1.94196
   A41        1.94092  -0.00001   0.00001  -0.00003  -0.00002   1.94090
   A42        1.90365   0.00000   0.00012  -0.00001   0.00011   1.90375
   A43        1.90350  -0.00001   0.00000  -0.00006  -0.00006   1.90343
   A44        1.88781  -0.00001  -0.00002   0.00002  -0.00001   1.88781
   A45        1.88439   0.00000  -0.00007   0.00002  -0.00005   1.88434
   A46        2.10562   0.00003  -0.00007   0.00003  -0.00004   2.10558
   A47        2.04037  -0.00002   0.00000   0.00000  -0.00001   2.04036
   A48        2.13659  -0.00001   0.00007  -0.00003   0.00004   2.13663
   A49        1.81374   0.00002   0.00014   0.00025   0.00039   1.81413
   A50        1.84313   0.00000  -0.00015  -0.00017  -0.00033   1.84281
   A51        1.93806   0.00000   0.00005   0.00000   0.00004   1.93810
   A52        1.92238   0.00001  -0.00002   0.00003   0.00000   1.92238
   A53        1.94222  -0.00001  -0.00004   0.00000  -0.00005   1.94217
   A54        1.88582  -0.00001   0.00000  -0.00004  -0.00004   1.88578
   A55        1.89177   0.00000  -0.00001   0.00001   0.00000   1.89177
   A56        1.88170   0.00000   0.00003   0.00001   0.00004   1.88174
   A57        1.97671  -0.00001   0.00007  -0.00003   0.00003   1.97674
   A58        1.90123   0.00000   0.00002   0.00000   0.00001   1.90124
   A59        1.90733   0.00001  -0.00006   0.00003  -0.00003   1.90731
   A60        1.90407   0.00001  -0.00005   0.00003  -0.00002   1.90405
   A61        1.91304   0.00000   0.00000  -0.00004  -0.00004   1.91300
   A62        1.85765   0.00000   0.00002   0.00002   0.00004   1.85769
   A63        2.32092   0.00001   0.00010   0.00001   0.00012   2.32103
   A64        2.13608   0.00000  -0.00012  -0.00001  -0.00013   2.13595
   A65        1.82602   0.00000   0.00001   0.00000   0.00001   1.82603
   A66        1.91812   0.00000  -0.00001   0.00001   0.00000   1.91812
   A67        2.24610   0.00000  -0.00007   0.00001  -0.00005   2.24604
   A68        2.11833   0.00000   0.00007  -0.00002   0.00005   2.11838
   A69        1.90205  -0.00001  -0.00001  -0.00001  -0.00002   1.90203
   A70        2.18849   0.00000   0.00001  -0.00001   0.00000   2.18849
   A71        2.19218   0.00001   0.00001   0.00002   0.00003   2.19221
   A72        1.91671   0.00001   0.00001   0.00002   0.00003   1.91675
   A73        2.18684   0.00000  -0.00002  -0.00001  -0.00003   2.18681
   A74        2.17888  -0.00001   0.00001  -0.00001   0.00000   2.17888
   A75        1.86184  -0.00001  -0.00001  -0.00001  -0.00002   1.86182
   A76        2.19978   0.00001  -0.00017   0.00003  -0.00015   2.19963
   A77        2.19605  -0.00001   0.00019  -0.00004   0.00015   2.19620
   A78        1.94206   0.00000   0.00002  -0.00001   0.00001   1.94207
   A79        1.94049  -0.00001  -0.00001  -0.00001  -0.00002   1.94047
   A80        1.92539   0.00000   0.00004  -0.00002   0.00001   1.92540
   A81        1.89013   0.00000  -0.00002   0.00001  -0.00001   1.89012
   A82        1.87708   0.00000  -0.00001   0.00000  -0.00001   1.87707
   A83        1.88653   0.00001  -0.00001   0.00003   0.00002   1.88654
   A84        1.95897   0.00000   0.00004   0.00001   0.00005   1.95902
   A85        1.90784   0.00000   0.00002   0.00000   0.00002   1.90785
   A86        1.90634   0.00000   0.00000  -0.00002  -0.00002   1.90633
   A87        1.91230   0.00000  -0.00003   0.00000  -0.00003   1.91227
   A88        1.91947   0.00000  -0.00002   0.00001  -0.00001   1.91946
   A89        1.85604   0.00000  -0.00001   0.00000  -0.00001   1.85603
   A90        2.30226  -0.00001   0.00012  -0.00002   0.00010   2.30236
   A91        2.15448   0.00001  -0.00012   0.00003  -0.00008   2.15440
   A92        1.82642   0.00000  -0.00001  -0.00001  -0.00001   1.82641
   A93        1.91777   0.00000   0.00001   0.00001   0.00001   1.91779
   A94        2.24962   0.00000   0.00000  -0.00001  -0.00001   2.24961
   A95        2.11579   0.00000  -0.00001   0.00000   0.00000   2.11578
   A96        1.89978   0.00000  -0.00001   0.00001   0.00000   1.89978
   A97        2.19037   0.00000  -0.00003   0.00001  -0.00003   2.19035
   A98        2.19291   0.00000   0.00004  -0.00002   0.00002   2.19293
   A99        1.91542   0.00000   0.00003   0.00000   0.00003   1.91545
   A100       2.18935   0.00000  -0.00003   0.00003   0.00001   2.18936
   A101       2.17814  -0.00001   0.00000  -0.00003  -0.00003   2.17812
   A102       1.86535  -0.00001  -0.00002  -0.00001  -0.00003   1.86532
   A103       2.21220  -0.00001  -0.00006  -0.00001  -0.00007   2.21212
   A104       2.19071   0.00001  -0.00001   0.00002   0.00002   2.19073
   A105       1.71567  -0.00001  -0.00002  -0.00002  -0.00004   1.71563
   A106       1.56093   0.00001   0.00028   0.00010   0.00038   1.56130
   A107       1.68664  -0.00001  -0.00005  -0.00010  -0.00016   1.68649
   A108       3.00395   0.00000   0.00019   0.00008   0.00028   3.00422
   A109       1.66395   0.00000   0.00007   0.00005   0.00013   1.66408
   A110       1.72178   0.00001  -0.00003   0.00008   0.00004   1.72183
   A111       1.61370   0.00000   0.00007   0.00008   0.00016   1.61386
   A112       1.48475   0.00001  -0.00014   0.00006  -0.00007   1.48468
   A113       2.89446   0.00002   0.00004  -0.00003   0.00001   2.89446
   A114       2.90522   0.00000  -0.00017  -0.00014  -0.00030   2.90492
   A115       1.44850  -0.00001  -0.00012   0.00000  -0.00011   1.44839
   A116       1.48758  -0.00002  -0.00034  -0.00012  -0.00045   1.48713
   A117       1.57627   0.00001  -0.00008  -0.00001  -0.00010   1.57617
   A118       1.43406   0.00001   0.00024  -0.00004   0.00019   1.43426
   A119       1.42914   0.00000   0.00003  -0.00011  -0.00008   1.42907
   A120       2.10592  -0.00001   0.00042   0.00008   0.00050   2.10642
   A121       2.17876   0.00000  -0.00020  -0.00003  -0.00023   2.17853
   A122       1.76666   0.00001  -0.00021  -0.00019  -0.00041   1.76625
   A123       2.07842   0.00000   0.00057   0.00064   0.00121   2.07963
   A124       2.90821  -0.00002  -0.00034  -0.00042  -0.00076   2.90745
   A125       2.13117  -0.00002  -0.00019   0.00001  -0.00018   2.13100
   A126       2.11452   0.00002   0.00011   0.00002   0.00013   2.11465
   A127       2.03734  -0.00001   0.00008  -0.00003   0.00005   2.03740
   A128       2.29601   0.00002   0.00001   0.00013   0.00014   2.29615
   A129       2.14560  -0.00001  -0.00018  -0.00004  -0.00022   2.14538
   A130       2.07018   0.00001   0.00010   0.00003   0.00014   2.07031
   A131       2.06714   0.00000   0.00008   0.00001   0.00009   2.06723
   A132       1.98058   0.00000   0.00006  -0.00008  -0.00002   1.98056
   A133       1.90311   0.00000  -0.00001   0.00001   0.00000   1.90311
   A134       1.90241   0.00000   0.00004  -0.00003   0.00001   1.90242
   A135       1.81996   0.00001   0.00004   0.00009   0.00013   1.82010
   A136       1.94917   0.00000  -0.00011   0.00000  -0.00011   1.94906
   A137       1.90578   0.00000  -0.00001   0.00001   0.00000   1.90578
   A138       2.09881   0.00001   0.00011  -0.00002   0.00009   2.09890
   A139       2.03100   0.00003  -0.00010   0.00003  -0.00007   2.03093
   A140       2.15125  -0.00004  -0.00001  -0.00002  -0.00003   2.15123
   A141       2.07052  -0.00002  -0.00036  -0.00014  -0.00050   2.07002
   A142       2.06331   0.00002   0.00004   0.00000   0.00004   2.06335
   A143       2.16111  -0.00003   0.00008  -0.00005   0.00003   2.16115
   A144       2.03927   0.00002  -0.00001   0.00001  -0.00001   2.03926
   A145       1.91485  -0.00001  -0.00005  -0.00001  -0.00007   1.91479
   A146       1.89484   0.00000   0.00003  -0.00002   0.00000   1.89484
   A147       1.90491   0.00001  -0.00002   0.00001   0.00000   1.90491
   A148       1.91102   0.00000  -0.00005  -0.00002  -0.00006   1.91096
   A149       1.92989   0.00001   0.00003   0.00004   0.00007   1.92997
   A150       1.90794  -0.00001   0.00005   0.00000   0.00005   1.90799
   A151       1.90423   0.00001   0.00006   0.00001   0.00007   1.90430
   A152       1.90411   0.00000  -0.00005   0.00004  -0.00001   1.90409
   A153       1.97705  -0.00001  -0.00003  -0.00001  -0.00004   1.97702
   A154       1.87652  -0.00001   0.00002  -0.00002   0.00000   1.87652
   A155       1.89335   0.00000  -0.00003   0.00000  -0.00002   1.89332
   A156       1.90599   0.00000   0.00003  -0.00002   0.00000   1.90599
    D1        3.11053   0.00000   0.00012   0.00007   0.00019   3.11072
    D2        1.00668   0.00000   0.00007   0.00002   0.00010   1.00678
    D3       -1.01937   0.00000   0.00009   0.00004   0.00014  -1.01923
    D4        1.02006   0.00000   0.00014   0.00006   0.00019   1.02025
    D5       -1.08378   0.00000   0.00009   0.00001   0.00010  -1.08368
    D6       -3.10983   0.00000   0.00011   0.00003   0.00014  -3.10969
    D7       -1.08900   0.00000   0.00010   0.00009   0.00019  -1.08881
    D8        3.09035   0.00000   0.00005   0.00005   0.00010   3.09044
    D9        1.06430   0.00000   0.00007   0.00007   0.00014   1.06443
   D10       -2.11772  -0.00001  -0.00045   0.00018  -0.00027  -2.11799
   D11        1.02424   0.00000   0.00011   0.00029   0.00040   1.02464
   D12        0.00250   0.00000  -0.00041   0.00022  -0.00019   0.00231
   D13       -3.13872   0.00001   0.00015   0.00033   0.00048  -3.13824
   D14        2.01944  -0.00001  -0.00049   0.00020  -0.00029   2.01915
   D15       -1.12178   0.00000   0.00007   0.00030   0.00037  -1.12141
   D16       -3.13921   0.00000   0.00045  -0.00005   0.00040  -3.13880
   D17        0.01603   0.00001   0.00055   0.00011   0.00066   0.01669
   D18        0.00206  -0.00001  -0.00004  -0.00014  -0.00018   0.00189
   D19       -3.12588   0.00000   0.00007   0.00002   0.00008  -3.12580
   D20        3.13980   0.00000  -0.00043   0.00007  -0.00036   3.13943
   D21       -0.01481   0.00000  -0.00017   0.00005  -0.00012  -0.01493
   D22       -0.00151   0.00001   0.00000   0.00015   0.00015  -0.00136
   D23        3.12707   0.00001   0.00027   0.00013   0.00040   3.12747
   D24       -0.00186   0.00001   0.00006   0.00007   0.00014  -0.00173
   D25        3.10745   0.00000   0.00003  -0.00001   0.00001   3.10747
   D26        3.12717   0.00000  -0.00003  -0.00007  -0.00010   3.12707
   D27       -0.04670  -0.00001  -0.00007  -0.00016  -0.00023  -0.04692
   D28        0.00040   0.00000   0.00004  -0.00011  -0.00007   0.00033
   D29       -3.13629   0.00000  -0.00021   0.00004  -0.00017  -3.13646
   D30       -3.12813   0.00000  -0.00023  -0.00009  -0.00032  -3.12845
   D31        0.01836   0.00000  -0.00048   0.00006  -0.00042   0.01794
   D32        0.00088  -0.00001  -0.00006   0.00002  -0.00004   0.00084
   D33       -3.10871   0.00000  -0.00004   0.00011   0.00007  -3.10863
   D34        3.13744  -0.00001   0.00019  -0.00013   0.00006   3.13751
   D35        0.02786   0.00000   0.00022  -0.00005   0.00017   0.02804
   D36        1.94659   0.00000  -0.00009   0.00005  -0.00005   1.94654
   D37       -2.61465   0.00001  -0.00009   0.00014   0.00005  -2.61460
   D38        0.31514   0.00001  -0.00016  -0.00002  -0.00018   0.31496
   D39       -2.33203   0.00001  -0.00070   0.00070   0.00000  -2.33203
   D40       -1.12836   0.00000  -0.00040   0.00003  -0.00037  -1.12873
   D41       -1.23348  -0.00001  -0.00013  -0.00006  -0.00018  -1.23367
   D42        0.48846   0.00000  -0.00012   0.00004  -0.00009   0.48837
   D43       -2.86494   0.00000  -0.00019  -0.00012  -0.00031  -2.86525
   D44        0.77108   0.00000  -0.00074   0.00060  -0.00014   0.77094
   D45        1.97475  -0.00001  -0.00044  -0.00007  -0.00051   1.97424
   D46        1.06338   0.00000   0.00015   0.00014   0.00029   1.06367
   D47       -3.09775   0.00000   0.00013   0.00014   0.00027  -3.09748
   D48       -1.04488   0.00000   0.00019   0.00012   0.00031  -1.04457
   D49       -1.03580   0.00001   0.00007   0.00023   0.00030  -1.03550
   D50        1.08626   0.00000   0.00005   0.00023   0.00028   1.08654
   D51        3.13913   0.00000   0.00010   0.00021   0.00031   3.13944
   D52       -3.12552   0.00000   0.00012   0.00016   0.00028  -3.12524
   D53       -1.00347   0.00000   0.00010   0.00016   0.00026  -1.00321
   D54        1.04941   0.00000   0.00015   0.00014   0.00030   1.04970
   D55       -1.08495   0.00000   0.00005   0.00000   0.00005  -1.08490
   D56        1.04081   0.00000   0.00003  -0.00005  -0.00003   1.04078
   D57        3.11710   0.00000   0.00002  -0.00005  -0.00003   3.11707
   D58        3.06945   0.00000   0.00014  -0.00003   0.00012   3.06956
   D59       -1.08798   0.00000   0.00012  -0.00008   0.00005  -1.08794
   D60        0.98831   0.00000   0.00012  -0.00008   0.00004   0.98835
   D61        1.03540   0.00000   0.00002  -0.00001   0.00002   1.03542
   D62       -3.12203   0.00000   0.00001  -0.00006  -0.00005  -3.12208
   D63       -1.04573   0.00000   0.00000  -0.00006  -0.00006  -1.04580
   D64       -0.87918   0.00000   0.00082  -0.00022   0.00060  -0.87858
   D65        2.22592   0.00000   0.00064  -0.00023   0.00041   2.22633
   D66       -3.02654   0.00000   0.00083  -0.00018   0.00065  -3.02590
   D67        0.07856   0.00000   0.00065  -0.00019   0.00045   0.07901
   D68        1.21138   0.00001   0.00093  -0.00018   0.00074   1.21212
   D69       -1.96670   0.00000   0.00075  -0.00020   0.00055  -1.96615
   D70        2.98621   0.00000   0.00079   0.00009   0.00089   2.98710
   D71       -0.11683   0.00000   0.00099   0.00011   0.00110  -0.11574
   D72       -2.99441   0.00000  -0.00014  -0.00005  -0.00019  -2.99460
   D73        0.11000   0.00000  -0.00033  -0.00006  -0.00040   0.10960
   D74        0.00148   0.00000  -0.00193  -0.00004  -0.00197  -0.00048
   D75        0.23028   0.00000  -0.00171  -0.00125  -0.00296   0.22732
   D76       -1.04721   0.00000   0.00006  -0.00007  -0.00001  -1.04722
   D77        1.07496   0.00000   0.00005  -0.00006  -0.00001   1.07495
   D78        3.09789   0.00000   0.00006  -0.00002   0.00004   3.09793
   D79       -3.13553   0.00000   0.00005  -0.00003   0.00001  -3.13552
   D80       -1.01337   0.00000   0.00004  -0.00002   0.00001  -1.01335
   D81        1.00957   0.00000   0.00004   0.00001   0.00006   1.00963
   D82        1.06181   0.00000   0.00005  -0.00006  -0.00001   1.06180
   D83       -3.09921   0.00000   0.00004  -0.00005  -0.00001  -3.09921
   D84       -1.07627   0.00000   0.00004  -0.00001   0.00003  -1.07623
   D85       -0.08462  -0.00001   0.00154   0.00083   0.00237  -0.08225
   D86        3.03406   0.00000   0.00111   0.00098   0.00209   3.03615
   D87       -2.20519   0.00000   0.00151   0.00084   0.00235  -2.20284
   D88        0.91349   0.00000   0.00108   0.00099   0.00207   0.91556
   D89        2.05029  -0.00001   0.00151   0.00082   0.00233   2.05262
   D90       -1.11421   0.00000   0.00108   0.00097   0.00205  -1.11216
   D91        3.11707   0.00001  -0.00039   0.00013  -0.00025   3.11682
   D92        0.01394   0.00001  -0.00032   0.00015  -0.00017   0.01377
   D93       -0.00453   0.00000  -0.00001   0.00000  -0.00001  -0.00454
   D94       -3.10766   0.00000   0.00005   0.00002   0.00007  -3.10759
   D95       -3.11762   0.00000   0.00034  -0.00005   0.00029  -3.11733
   D96       -0.00723   0.00000   0.00077  -0.00009   0.00068  -0.00655
   D97        0.00665   0.00000   0.00002   0.00006   0.00008   0.00673
   D98        3.11703   0.00000   0.00045   0.00002   0.00047   3.11751
   D99        0.00075  -0.00001  -0.00001  -0.00006  -0.00006   0.00069
   D100      -2.91030   0.00000  -0.00008   0.00006  -0.00002  -2.91032
   D101       3.10719  -0.00001  -0.00007  -0.00008  -0.00014   3.10704
   D102       0.19614   0.00000  -0.00014   0.00004  -0.00010   0.19604
   D103      -0.00653  -0.00001  -0.00002  -0.00011  -0.00013  -0.00666
   D104       3.09507   0.00000  -0.00011  -0.00007  -0.00018   3.09489
   D105      -3.11683  -0.00001  -0.00046  -0.00006  -0.00052  -3.11735
   D106      -0.01523   0.00000  -0.00054  -0.00003  -0.00057  -0.01580
   D107       0.00354   0.00001   0.00002   0.00010   0.00012   0.00366
   D108       2.91522   0.00001   0.00003  -0.00001   0.00003   2.91525
   D109      -3.09828   0.00000   0.00010   0.00006   0.00017  -3.09811
   D110      -0.18660   0.00000   0.00012  -0.00004   0.00007  -0.18652
   D111      -0.47721   0.00000   0.00007  -0.00028  -0.00021  -0.47742
   D112      -2.06012  -0.00001  -0.00021  -0.00038  -0.00059  -2.06071
   D113       1.21708  -0.00001   0.00003  -0.00037  -0.00035   1.21674
   D114       2.78967   0.00000  -0.00007  -0.00039  -0.00046   2.78921
   D115       2.38991   0.00000   0.00132  -0.00017   0.00116   2.39107
   D116       2.93775   0.00001   0.00002  -0.00014  -0.00013   2.93762
   D117       1.35484   0.00000  -0.00026  -0.00025  -0.00051   1.35433
   D118      -1.65115   0.00000  -0.00003  -0.00024  -0.00026  -1.65141
   D119      -0.07855   0.00000  -0.00012  -0.00026  -0.00038  -0.07893
   D120      -0.47832   0.00000   0.00127  -0.00003   0.00124  -0.47708
   D121      -1.05680   0.00000   0.00006  -0.00001   0.00005  -1.05675
   D122       3.10089   0.00000   0.00006  -0.00001   0.00005   3.10094
   D123       1.07675   0.00000   0.00006   0.00000   0.00006   1.07681
   D124       1.05170   0.00000   0.00004   0.00000   0.00003   1.05174
   D125      -1.07379   0.00000   0.00004  -0.00001   0.00003  -1.07376
   D126      -3.09793   0.00000   0.00004   0.00000   0.00004  -3.09789
   D127      -3.13873   0.00000   0.00004   0.00001   0.00005  -3.13868
   D128       1.01896   0.00000   0.00004   0.00001   0.00004   1.01900
   D129      -1.00518   0.00000   0.00004   0.00001   0.00005  -1.00513
   D130       0.36948   0.00000   0.00096   0.00030   0.00126   0.37073
   D131      -2.76449   0.00000   0.00081   0.00039   0.00119  -2.76330
   D132       2.49242   0.00000   0.00098   0.00031   0.00129   2.49371
   D133      -0.64155   0.00001   0.00084   0.00039   0.00123  -0.64032
   D134      -1.75660   0.00000   0.00094   0.00031   0.00125  -1.75535
   D135       1.39261   0.00001   0.00079   0.00040   0.00119   1.39380
   D136      -3.12746   0.00000  -0.00013   0.00003  -0.00011  -3.12757
   D137       0.01162   0.00001  -0.00005   0.00012   0.00007   0.01169
   D138       0.00755   0.00000  -0.00001  -0.00005  -0.00005   0.00750
   D139      -3.13655   0.00000   0.00008   0.00005   0.00013  -3.13642
   D140       3.12817   0.00000   0.00008  -0.00002   0.00006   3.12823
   D141       0.00291   0.00000   0.00022  -0.00009   0.00013   0.00304
   D142      -0.00756   0.00000  -0.00004   0.00005   0.00001  -0.00755
   D143      -3.13282   0.00000   0.00011  -0.00002   0.00008  -3.13273
   D144      -0.00481   0.00000   0.00005   0.00003   0.00008  -0.00473
   D145       2.95900   0.00000  -0.00047   0.00005  -0.00042   2.95858
   D146       3.13907   0.00000  -0.00003  -0.00006  -0.00009   3.13898
   D147      -0.18031   0.00000  -0.00055  -0.00004  -0.00059  -0.18089
   D148       0.00492   0.00000   0.00007  -0.00004   0.00004   0.00496
   D149      -3.11260   0.00000  -0.00016  -0.00004  -0.00020  -3.11280
   D150       3.13015   0.00000  -0.00008   0.00004  -0.00004   3.13012
   D151       0.01263   0.00000  -0.00030   0.00004  -0.00027   0.01236
   D152      -0.00012   0.00000  -0.00007   0.00001  -0.00007  -0.00019
   D153      -2.96673   0.00000   0.00045  -0.00001   0.00043  -2.96629
   D154       3.11759   0.00000   0.00015   0.00001   0.00016   3.11775
   D155       0.15099   0.00000   0.00067  -0.00001   0.00067   0.15165
   D156      -1.44232   0.00000   0.00021   0.00005   0.00026  -1.44206
   D157       0.27352  -0.00001   0.00023   0.00005   0.00027   0.27380
   D158       2.80034   0.00001  -0.00049   0.00039  -0.00010   2.80024
   D159       1.73784   0.00000   0.00007   0.00010   0.00018   1.73801
   D160      -3.10743   0.00001   0.00015   0.00000   0.00016  -3.10727
   D161       1.48982   0.00000  -0.00041   0.00007  -0.00033   1.48949
   D162      -3.07752  -0.00001  -0.00039   0.00007  -0.00032  -3.07784
   D163      -0.55070   0.00000  -0.00111   0.00041  -0.00070  -0.55140
   D164      -1.61321   0.00000  -0.00054   0.00013  -0.00042  -1.61362
   D165      -0.17528   0.00001  -0.00046   0.00003  -0.00044  -0.17572
   D166       1.75474  -0.00001  -0.00020  -0.00028  -0.00048   1.75426
   D167      -0.57502  -0.00001  -0.00014   0.00002  -0.00012  -0.57515
   D168       0.03289   0.00000  -0.00018  -0.00027  -0.00045   0.03245
   D169      -2.29687   0.00001  -0.00012   0.00003  -0.00009  -2.29696
   D170      -2.50130  -0.00001   0.00053  -0.00061  -0.00008  -2.50138
   D171       1.45213  -0.00001   0.00059  -0.00031   0.00028   1.45241
   D172      -1.45201  -0.00001  -0.00004  -0.00033  -0.00037  -1.45239
   D173       2.50141  -0.00001   0.00002  -0.00003  -0.00001   2.50140
   D174      -2.87905  -0.00001  -0.00009  -0.00022  -0.00031  -2.87936
   D175       1.07437  -0.00001  -0.00003   0.00008   0.00005   1.07442
   D176       1.00998   0.00000  -0.00046  -0.00056  -0.00103   1.00895
   D177       3.02900   0.00000  -0.00108   0.00007  -0.00101   3.02799
   D178       1.29477  -0.00001  -0.00108   0.00000  -0.00108   1.29369
   D179      -1.64079   0.00000  -0.00100   0.00016  -0.00085  -1.64164
   D180      -0.20891   0.00001  -0.00075   0.00011  -0.00064  -0.20955
   D181       2.08867  -0.00001  -0.00004  -0.00028  -0.00032   2.08835
   D182      -0.78019   0.00000  -0.00128  -0.00039  -0.00167  -0.78186
   D183      -2.64145   0.00000   0.00020  -0.00020   0.00000  -2.64146
   D184       0.41336   0.00000   0.00000  -0.00017  -0.00016   0.41319
   D185      -1.18265   0.00000   0.00013  -0.00018  -0.00005  -1.18269
   D186      -2.39324   0.00000   0.00137   0.00010   0.00147  -2.39177
   D187       0.09588   0.00000   0.00125  -0.00010   0.00115   0.09704
   D188       2.10906  -0.00001   0.00104   0.00120   0.00224   2.11130
   D189      -0.34286   0.00000   0.00084   0.00137   0.00221  -0.34065
   D190       0.90445  -0.00001   0.00097  -0.00008   0.00089   0.90534
   D191      -2.25663   0.00000   0.00080   0.00052   0.00132  -2.25531
   D192       0.07640   0.00001  -0.00033   0.00012  -0.00020   0.07619
   D193      -3.09084   0.00000  -0.00012   0.00011   0.00000  -3.09085
   D194      -3.04653   0.00000  -0.00017  -0.00045  -0.00062  -3.04715
   D195       0.06942  -0.00001   0.00004  -0.00046  -0.00042   0.06900
   D196      -1.14850  -0.00001  -0.00016  -0.00028  -0.00044  -1.14894
   D197       0.89691   0.00000  -0.00013  -0.00028  -0.00041   0.89650
   D198       3.02383  -0.00001  -0.00015  -0.00029  -0.00044   3.02339
   D199       1.97461   0.00000  -0.00032   0.00029  -0.00003   1.97458
   D200      -2.26316   0.00001  -0.00029   0.00029   0.00000  -2.26316
   D201      -0.13624   0.00000  -0.00031   0.00028  -0.00003  -0.13627
   D202      -1.44504   0.00000   0.00031  -0.00004   0.00026  -1.44477
   D203       0.57505   0.00000   0.00038   0.00003   0.00041   0.57546
   D204       2.65410   0.00000   0.00038   0.00003   0.00042   2.65452
   D205       1.72216   0.00000   0.00009  -0.00003   0.00006   1.72222
   D206      -2.54094   0.00001   0.00017   0.00005   0.00021  -2.54073
   D207      -0.46188   0.00000   0.00017   0.00005   0.00022  -0.46167
   D208       0.69461   0.00001  -0.00060  -0.00012  -0.00073   0.69388
   D209      -2.51461   0.00000  -0.00053  -0.00029  -0.00082  -2.51543
   D210      -1.37404   0.00001  -0.00064  -0.00015  -0.00079  -1.37484
   D211       1.69992   0.00000  -0.00057  -0.00031  -0.00088   1.69904
   D212       2.85335   0.00001  -0.00060  -0.00022  -0.00082   2.85253
   D213      -0.35588   0.00000  -0.00052  -0.00038  -0.00091  -0.35678
   D214       1.01203   0.00000   0.00049   0.00019   0.00068   1.01270
   D215      -2.05709   0.00001   0.00042   0.00036   0.00078  -2.05632
   D216       0.00114   0.00000   0.00035  -0.00020   0.00015   0.00129
   D217      -2.92258   0.00000  -0.00024   0.00002  -0.00021  -2.92280
   D218       3.07287  -0.00001   0.00043  -0.00037   0.00006   3.07293
   D219       0.14914  -0.00001  -0.00015  -0.00015  -0.00030   0.14884
   D220      -2.44174   0.00000  -0.00060   0.00013  -0.00047  -2.44221
   D221      -0.35394  -0.00001  -0.00067   0.00009  -0.00058  -0.35452
   D222       1.72433  -0.00001  -0.00060   0.00008  -0.00052   1.72382
   D223       0.91496   0.00000  -0.00118   0.00035  -0.00083   0.91413
   D224       3.00276  -0.00001  -0.00125   0.00031  -0.00094   3.00182
   D225      -1.20215  -0.00001  -0.00118   0.00030  -0.00088  -1.20303
         Item               Value     Threshold  Converged?
 Maximum Force            0.000159     0.000450     YES
 RMS     Force            0.000013     0.000300     YES
 Maximum Displacement     0.007249     0.001800     NO 
 RMS     Displacement     0.001054     0.001200     YES
 Predicted change in Energy=-3.372745D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.068867    2.543103    3.559314
      2          6           0       -3.328609    1.183985    3.656753
      3          6           0       -2.080040    1.111388    2.821953
      4          6           0       -1.696983    0.259248    1.796961
      5          7           0       -1.000986    1.996205    2.980241
      6          6           0       -0.023912    1.662968    2.074523
      7          7           0       -0.413935    0.611125    1.339762
      8          6           0       -5.229734    0.899707    0.148356
      9          6           0       -5.870884   -0.171145   -0.761450
     10          6           0       -5.243454   -1.574891   -0.576045
     11          6           0       -3.763175   -1.573321   -0.948763
     12          8           0       -3.373533   -1.086168   -2.060959
     13          8           0       -2.910594   -2.061773   -0.042257
     14          6           0       -2.268971    4.236883   -2.985587
     15          6           0       -0.997796    3.835637   -3.762894
     16          6           0       -0.195369    2.761310   -3.076834
     17          6           0       -0.323349    2.121590   -1.853321
     18          7           0        0.928923    2.164634   -3.673401
     19          6           0        1.428122    1.206009   -2.826169
     20          7           0        0.689628    1.157804   -1.709057
     21          6           0        4.687385    4.005222    1.481272
     22          6           0        5.165241    2.626326    1.986175
     23          6           0        4.196041    1.526834    1.643439
     24          6           0        3.202646    1.434068    0.679004
     25          7           0        4.141903    0.301935    2.327841
     26          6           0        3.141211   -0.469205    1.781041
     27          7           0        2.555809    0.194672    0.778683
     28         30           0        0.757041   -0.394846   -0.220062
     29          1           0       -4.983347    2.520870    4.163458
     30          1           0       -4.349005    2.761881    2.522945
     31          1           0       -3.451593    3.373451    3.929572
     32          1           0       -3.996993    0.381216    3.327466
     33          1           0       -3.089376    0.975977    4.710627
     34          1           0       -2.251638   -0.558462    1.359199
     35          1           0       -0.958174    2.758817    3.643582
     36          1           0        0.916015    2.182333    1.986806
     37          1           0       -4.160376    1.011220   -0.071493
     38          1           0       -5.336734    0.627525    1.208140
     39          1           0       -5.710881    1.876094    0.000928
     40          1           0       -6.948764   -0.232815   -0.554574
     41          1           0       -5.753968    0.122503   -1.811887
     42          1           0       -5.352015   -1.924345    0.457083
     43          1           0       -5.761162   -2.289281   -1.231774
     44          1           0       -2.938570    3.378524   -2.855984
     45          1           0       -2.815271    5.014181   -3.531203
     46          1           0       -2.020221    4.634770   -1.993670
     47          1           0       -1.287816    3.484085   -4.764486
     48          1           0       -0.368728    4.726040   -3.915340
     49          1           0       -1.076559    2.261004   -1.096291
     50          1           0        1.292616    2.386807   -4.591509
     51          1           0        2.263300    0.559947   -3.040247
     52          1           0        4.576182    4.012789    0.390190
     53          1           0        3.723551    4.278326    1.927463
     54          1           0        5.415922    4.780129    1.744467
     55          1           0        5.305814    2.666847    3.076322
     56          1           0        6.152616    2.404916    1.554790
     57          1           0        2.911543    2.157824   -0.064032
     58          1           0        4.732494    0.036823    3.106058
     59          1           0        2.852456   -1.450479    2.120185
     60          8           0       -0.791677   -1.395356   -1.066971
     61          1           0       -1.211742   -1.064404   -1.893093
     62          1           0       -1.670706   -1.779015   -0.518034
     63          6           0        2.982970   -2.518696   -1.579052
     64          8           0        2.281551   -1.470104   -1.706890
     65          7           0        2.441921   -3.711171   -1.186146
     66          6           0        1.005369   -3.901484   -0.971713
     67          6           0        0.526825   -3.439144    0.412424
     68          8           0        0.994062   -2.370168    0.930609
     69          7           0       -0.450410   -4.173268    0.984764
     70          1           0        0.451173   -3.267379   -1.675591
     71          1           0        0.753134   -4.950953   -1.157129
     72          1           0        3.058132   -4.504778   -1.057994
     73          1           0       -0.807041   -4.976541    0.477219
     74          6           0       -1.215508   -3.740786    2.170387
     75          1           0       -1.372142   -4.592933    2.839781
     76          1           0       -0.644153   -2.969267    2.690408
     77          1           0       -2.176224   -3.323934    1.845912
     78          6           0        4.470500   -2.510484   -1.881999
     79          1           0        4.617649   -2.328252   -2.953168
     80          1           0        4.941899   -1.684814   -1.339528
     81          1           0        4.971062   -3.447575   -1.617429
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0969020      0.0726823      0.0659890
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.0392961863 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122065.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000071   -0.000064   -0.000112 Ang=  -0.02 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581713     A.U. after    8 cycles
            NFock=  8  Conv=0.36D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122065.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000009709   -0.000010187    0.000000147
      3        6           0.000014955    0.000012321   -0.000003632
      4        6          -0.000023226    0.000015955    0.000030048
      5        7          -0.000015872   -0.000015781   -0.000016301
      6        6           0.000016441    0.000005809    0.000016650
      7        7           0.000019981   -0.000012525   -0.000037866
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000004251    0.000015976    0.000003234
     10        6          -0.000012921   -0.000013220    0.000008573
     11        6           0.000014459    0.000009388    0.000019942
     12        8          -0.000044202    0.000004716    0.000003484
     13        8           0.000131530    0.000057431    0.000037761
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000003124   -0.000019500    0.000001320
     16        6           0.000023518    0.000025516    0.000007157
     17        6           0.000011376   -0.000037462   -0.000010097
     18        7          -0.000033224    0.000012662   -0.000007681
     19        6           0.000005760   -0.000009169   -0.000001322
     20        7           0.000016708    0.000012728    0.000035104
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000001333    0.000005397    0.000001298
     23        6          -0.000025313    0.000020200   -0.000003398
     24        6           0.000008997   -0.000003605    0.000005596
     25        7           0.000018755   -0.000015048    0.000004609
     26        6          -0.000022336    0.000000326   -0.000001083
     27        7           0.000033160    0.000015162    0.000033097
     28       30          -0.000078852   -0.000043678   -0.000082699
     29        1           0.000004248    0.000002381    0.000003387
     30        1          -0.000008127    0.000002860    0.000011400
     31        1           0.000001428    0.000005472   -0.000006634
     32        1          -0.000003234   -0.000004779    0.000006969
     33        1           0.000004463   -0.000000731   -0.000007243
     34        1           0.000002136   -0.000003455   -0.000003290
     35        1           0.000002796    0.000002347    0.000000081
     36        1          -0.000008026    0.000004853    0.000004914
     37        1          -0.000008346    0.000004754   -0.000001761
     38        1          -0.000008009    0.000000531   -0.000001407
     39        1          -0.000009747    0.000007832   -0.000000806
     40        1          -0.000001233    0.000002784   -0.000008763
     41        1           0.000006090   -0.000005302   -0.000001409
     42        1          -0.000005793   -0.000007003   -0.000001980
     43        1           0.000004639    0.000000474   -0.000002376
     44        1           0.000000030   -0.000006107   -0.000002530
     45        1           0.000005181    0.000001103    0.000002652
     46        1          -0.000000929   -0.000002094    0.000001118
     47        1           0.000000599   -0.000005974    0.000004380
     48        1          -0.000003579    0.000004964    0.000003742
     49        1          -0.000002087    0.000011663   -0.000004343
     50        1           0.000004935    0.000005377   -0.000003289
     51        1          -0.000002857    0.000001649    0.000001503
     52        1          -0.000002436    0.000000520   -0.000001259
     53        1          -0.000008175    0.000003452   -0.000004189
     54        1          -0.000005267    0.000002435   -0.000001476
     55        1          -0.000000649    0.000000519   -0.000001266
     56        1           0.000001833   -0.000003655   -0.000001451
     57        1          -0.000003610   -0.000002881   -0.000002429
     58        1          -0.000001262    0.000005463   -0.000002355
     59        1           0.000005751    0.000001281   -0.000000331
     60        8           0.000093099    0.000111450    0.000064711
     61        1           0.000043205   -0.000043027    0.000003154
     62        1          -0.000207253   -0.000116186   -0.000100209
     63        6           0.000018722   -0.000032941    0.000004072
     64        8          -0.000042211    0.000026291    0.000014830
     65        7          -0.000022082    0.000007368    0.000023095
     66        6           0.000015454    0.000004269    0.000009976
     67        6          -0.000005705    0.000022167   -0.000024977
     68        8           0.000040163   -0.000035906   -0.000000308
     69        7          -0.000035933    0.000025314    0.000003811
     70        1          -0.000000643   -0.000002447   -0.000001687
     71        1           0.000001001   -0.000003384   -0.000003362
     72        1           0.000005561    0.000000360   -0.000010301
     73        1           0.000008404   -0.000002255   -0.000003438
     74        6           0.000022113   -0.000006417    0.000012400
     75        1          -0.000000865   -0.000004514   -0.000007813
     76        1          -0.000003748   -0.000000143    0.000001006
     77        1          -0.000004229   -0.000006660    0.000005115
     78        6           0.000017604    0.000012553   -0.000022676
     79        1          -0.000009774   -0.000003614    0.000004458
     80        1          -0.000001589   -0.000002837    0.000001590
     81        1           0.000001128   -0.000000403    0.000001233
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000207253 RMS     0.000026322

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000137609 RMS     0.000010828
 Search for a local minimum.
 Step number  47 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47
 DE= -3.04D-07 DEPred=-3.37D-07 R= 9.00D-01
 Trust test= 9.00D-01 RLast= 1.13D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  0  1  0
     Eigenvalues ---    0.00068   0.00105   0.00130   0.00201   0.00230
     Eigenvalues ---    0.00231   0.00234   0.00240   0.00287   0.00313
     Eigenvalues ---    0.00407   0.00521   0.00547   0.00557   0.00670
     Eigenvalues ---    0.00689   0.00777   0.00830   0.00883   0.00943
     Eigenvalues ---    0.01145   0.01234   0.01263   0.01351   0.01419
     Eigenvalues ---    0.01588   0.01635   0.01696   0.01768   0.01801
     Eigenvalues ---    0.01815   0.01886   0.01920   0.01933   0.02020
     Eigenvalues ---    0.02061   0.02177   0.02244   0.02301   0.02309
     Eigenvalues ---    0.02339   0.02478   0.02643   0.02774   0.03048
     Eigenvalues ---    0.03456   0.03525   0.03806   0.03909   0.04003
     Eigenvalues ---    0.04088   0.04115   0.04251   0.04340   0.04521
     Eigenvalues ---    0.04616   0.04847   0.04910   0.05031   0.05276
     Eigenvalues ---    0.05317   0.05381   0.05389   0.05399   0.05414
     Eigenvalues ---    0.05435   0.05480   0.05509   0.05514   0.05550
     Eigenvalues ---    0.05555   0.05772   0.06108   0.06382   0.06900
     Eigenvalues ---    0.07229   0.07479   0.07630   0.07748   0.08303
     Eigenvalues ---    0.08406   0.08704   0.09151   0.09325   0.09483
     Eigenvalues ---    0.09675   0.09836   0.10170   0.10594   0.10906
     Eigenvalues ---    0.11991   0.12241   0.12477   0.12886   0.12970
     Eigenvalues ---    0.13054   0.13353   0.13618   0.14282   0.14470
     Eigenvalues ---    0.15302   0.15615   0.15840   0.15878   0.15950
     Eigenvalues ---    0.15965   0.15982   0.15990   0.15992   0.15995
     Eigenvalues ---    0.15997   0.16000   0.16002   0.16003   0.16004
     Eigenvalues ---    0.16007   0.16010   0.16012   0.16023   0.16030
     Eigenvalues ---    0.16041   0.16048   0.16070   0.16107   0.16116
     Eigenvalues ---    0.16136   0.16225   0.16272   0.16400   0.16490
     Eigenvalues ---    0.16730   0.18065   0.19301   0.20630   0.20820
     Eigenvalues ---    0.21222   0.22007   0.22275   0.22399   0.22715
     Eigenvalues ---    0.22861   0.22983   0.23204   0.23270   0.23645
     Eigenvalues ---    0.23903   0.24067   0.24482   0.24781   0.24984
     Eigenvalues ---    0.25128   0.25839   0.26783   0.27645   0.27687
     Eigenvalues ---    0.28214   0.28290   0.28379   0.29380   0.29726
     Eigenvalues ---    0.30595   0.30907   0.31545   0.31678   0.31848
     Eigenvalues ---    0.32207   0.33606   0.33633   0.33660   0.33668
     Eigenvalues ---    0.33690   0.33784   0.33816   0.33859   0.33872
     Eigenvalues ---    0.33918   0.33938   0.33977   0.33995   0.34001
     Eigenvalues ---    0.34017   0.34043   0.34059   0.34085   0.34087
     Eigenvalues ---    0.34130   0.34153   0.34176   0.34182   0.34197
     Eigenvalues ---    0.34241   0.34303   0.34307   0.34455   0.34657
     Eigenvalues ---    0.35255   0.35755   0.35812   0.36168   0.36241
     Eigenvalues ---    0.36342   0.36515   0.36562   0.38248   0.39106
     Eigenvalues ---    0.39403   0.40757   0.42346   0.42784   0.42968
     Eigenvalues ---    0.45299   0.45443   0.45473   0.45581   0.45584
     Eigenvalues ---    0.45632   0.45812   0.46207   0.49073   0.49154
     Eigenvalues ---    0.49370   0.49898   0.50120   0.52598   0.54494
     Eigenvalues ---    0.54921   0.55085   0.56719   0.66364   0.73296
     Eigenvalues ---    0.766211000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    47   46   45   44   43
 RFO step:  Lambda=-1.17261171D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.42108   -0.05551   -0.54098   -0.05795    0.23336
 Iteration  1 RMS(Cart)=  0.00073551 RMS(Int)=  0.00000037
 Iteration  2 RMS(Cart)=  0.00000040 RMS(Int)=  0.00000027
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00003   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00001   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140  -0.00001   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00001   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00002   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468  -0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93040  -0.00001   0.00005  -0.00003   0.00003   2.93043
    R2        2.07161   0.00001   0.00001   0.00000   0.00002   2.07162
    R3        2.07044  -0.00001   0.00005  -0.00002   0.00002   2.07046
    R4        2.07663  -0.00001   0.00006  -0.00002   0.00004   2.07667
    R5        2.84156   0.00001   0.00004   0.00000   0.00004   2.84160
    R6        2.06975  -0.00001   0.00007  -0.00002   0.00005   2.06980
    R7        2.07969  -0.00001   0.00008  -0.00002   0.00006   2.07975
    R8        2.62086   0.00000   0.00002   0.00000   0.00002   2.62087
    R9        2.65391   0.00001  -0.00001   0.00001   0.00001   2.65392
   R10        2.65845   0.00001  -0.00007   0.00003  -0.00005   2.65840
   R11        2.04224   0.00000  -0.00002   0.00000  -0.00002   2.04222
   R12        2.59523  -0.00001   0.00004  -0.00002   0.00002   2.59524
   R13        1.91174   0.00000   0.00000   0.00000   0.00000   1.91174
   R14        2.53418   0.00000   0.00000   0.00001   0.00001   2.53419
   R15        2.03608   0.00000   0.00000   0.00000   0.00000   2.03608
   R16        4.14717   0.00000  -0.00012   0.00007  -0.00005   4.14712
   R17        2.91872   0.00000   0.00003   0.00000   0.00003   2.91875
   R18        2.07379   0.00001  -0.00001   0.00001   0.00000   2.07380
   R19        2.07756   0.00000   0.00002   0.00000   0.00002   2.07757
   R20        2.07575  -0.00001  -0.00001  -0.00001  -0.00002   2.07573
   R21        2.92666  -0.00001  -0.00002  -0.00001  -0.00003   2.92663
   R22        2.07735   0.00000   0.00000   0.00000   0.00000   2.07734
   R23        2.07295   0.00000  -0.00001   0.00001  -0.00001   2.07294
   R24        2.88463  -0.00002   0.00000  -0.00002  -0.00002   2.88461
   R25        2.07118   0.00000   0.00000  -0.00001   0.00000   2.07117
   R26        2.07728   0.00000   0.00001   0.00000   0.00001   2.07730
   R27        2.40977   0.00000   0.00004   0.00005   0.00009   2.40986
   R28        2.52633  -0.00002   0.00005  -0.00007  -0.00002   2.52631
   R29        4.09770  -0.00002  -0.00108  -0.00151  -0.00259   4.09511
   R30        2.56588   0.00014   0.00089   0.00083   0.00172   2.56760
   R31        2.91600   0.00000  -0.00001  -0.00001  -0.00002   2.91598
   R32        2.07176  -0.00001   0.00000   0.00000   0.00000   2.07176
   R33        2.07038   0.00000   0.00000   0.00000   0.00000   2.07038
   R34        2.07361   0.00000   0.00002   0.00000   0.00002   2.07363
   R35        2.84637   0.00001  -0.00001   0.00001   0.00001   2.84638
   R36        2.07946  -0.00001  -0.00001   0.00000  -0.00001   2.07945
   R37        2.08023   0.00000   0.00001  -0.00001   0.00000   2.08023
   R38        2.62026  -0.00001  -0.00002  -0.00001  -0.00002   2.62023
   R39        2.65636   0.00003   0.00002   0.00003   0.00005   2.65641
   R40        2.65627   0.00001   0.00001   0.00001   0.00003   2.65630
   R41        2.03517   0.00000  -0.00001   0.00000  -0.00001   2.03516
   R42        2.59517  -0.00001  -0.00001  -0.00001  -0.00002   2.59515
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53226   0.00000   0.00000  -0.00001  -0.00001   2.53225
   R45        2.03595   0.00000   0.00001   0.00000   0.00000   2.03596
   R46        4.06725  -0.00001   0.00002  -0.00002   0.00000   4.06724
   R47        2.91816   0.00001   0.00000   0.00002   0.00002   2.91818
   R48        2.07258   0.00000   0.00001   0.00000   0.00000   2.07258
   R49        2.07238  -0.00001  -0.00001  -0.00001  -0.00002   2.07235
   R50        2.07054   0.00000   0.00001   0.00000   0.00001   2.07055
   R51        2.84446   0.00000   0.00002  -0.00001   0.00002   2.84448
   R52        2.07855   0.00000   0.00000   0.00000  -0.00001   2.07854
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62228   0.00000   0.00000   0.00000   0.00000   2.62228
   R55        2.65351  -0.00001   0.00002  -0.00002   0.00000   2.65351
   R56        2.64861   0.00000   0.00005   0.00000   0.00005   2.64866
   R57        2.03588   0.00000   0.00001   0.00000   0.00001   2.03589
   R58        2.60140   0.00000   0.00000   0.00000  -0.00001   2.60139
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52698   0.00001  -0.00001   0.00001   0.00000   2.52697
   R61        2.03644   0.00000   0.00000   0.00000   0.00000   2.03643
   R62        4.04445  -0.00001   0.00060  -0.00009   0.00050   4.04495
   R63        3.83424   0.00001   0.00013  -0.00004   0.00010   3.83433
   R64        4.50808   0.00001  -0.00040  -0.00066  -0.00105   4.50703
   R65        4.34313  -0.00002  -0.00051   0.00040  -0.00010   4.34303
   R66        1.85969   0.00002   0.00004   0.00005   0.00009   1.85978
   R67        2.08831  -0.00011  -0.00053  -0.00044  -0.00097   2.08734
   R68        2.39621  -0.00003  -0.00002   0.00000  -0.00002   2.39619
   R69        2.58354   0.00001   0.00009  -0.00002   0.00006   2.58361
   R70        2.86877  -0.00001  -0.00009   0.00000  -0.00009   2.86868
   R71        2.76823   0.00002   0.00000   0.00001   0.00002   2.76824
   R72        1.91409   0.00000   0.00000   0.00000   0.00000   1.91409
   R73        2.90219  -0.00001   0.00001  -0.00001   0.00000   2.90219
   R74        2.07411   0.00000  -0.00001   0.00000  -0.00001   2.07410
   R75        2.06956   0.00000   0.00000   0.00000   0.00000   2.06956
   R76        2.41230   0.00001   0.00006   0.00001   0.00007   2.41236
   R77        2.55043   0.00000  -0.00002   0.00001  -0.00001   2.55042
   R78        1.91789   0.00000   0.00000   0.00000   0.00000   1.91790
   R79        2.78894   0.00001   0.00007   0.00002   0.00009   2.78903
   R80        2.06904  -0.00001  -0.00002  -0.00001  -0.00002   2.06901
   R81        2.06327   0.00000   0.00002   0.00000   0.00002   2.06329
   R82        2.07184   0.00000  -0.00001   0.00000  -0.00001   2.07183
   R83        2.07204   0.00000   0.00001   0.00000   0.00000   2.07205
   R84        2.06856   0.00000   0.00000   0.00000   0.00001   2.06856
   R85        2.06897   0.00000   0.00001   0.00000   0.00000   2.06897
    A1        1.92390   0.00000  -0.00005   0.00001  -0.00004   1.92386
    A2        1.93532   0.00000   0.00004  -0.00001   0.00002   1.93535
    A3        1.95297   0.00000   0.00001  -0.00001   0.00000   1.95297
    A4        1.88815   0.00000   0.00001   0.00001   0.00002   1.88817
    A5        1.87362   0.00000   0.00002   0.00001   0.00003   1.87366
    A6        1.88751   0.00000  -0.00002  -0.00001  -0.00003   1.88748
    A7        1.98647   0.00001   0.00014   0.00001   0.00015   1.98662
    A8        1.90942   0.00000  -0.00002   0.00001  -0.00001   1.90941
    A9        1.90668  -0.00001   0.00001  -0.00002  -0.00002   1.90666
   A10        1.88012   0.00000   0.00000   0.00001   0.00001   1.88014
   A11        1.91985   0.00000  -0.00011   0.00000  -0.00012   1.91974
   A12        1.85670   0.00000  -0.00003  -0.00001  -0.00004   1.85666
   A13        2.30406   0.00001   0.00004   0.00002   0.00006   2.30412
   A14        2.14718   0.00000  -0.00003  -0.00001  -0.00004   2.14714
   A15        1.83195  -0.00001  -0.00001  -0.00001  -0.00002   1.83192
   A16        1.91602   0.00001   0.00002   0.00001   0.00002   1.91604
   A17        2.24275   0.00000   0.00001  -0.00002  -0.00001   2.24274
   A18        2.12434   0.00000  -0.00003   0.00001  -0.00002   2.12431
   A19        1.89593   0.00001  -0.00001   0.00001   0.00001   1.89594
   A20        2.19120  -0.00001  -0.00005  -0.00001  -0.00006   2.19114
   A21        2.19598   0.00000   0.00006   0.00000   0.00006   2.19603
   A22        1.92277   0.00001  -0.00002   0.00001  -0.00001   1.92276
   A23        2.16202   0.00000   0.00001   0.00000   0.00001   2.16203
   A24        2.19838   0.00000   0.00001  -0.00001   0.00000   2.19838
   A25        1.85811  -0.00001   0.00002  -0.00002   0.00000   1.85811
   A26        2.21802   0.00001   0.00011   0.00005   0.00016   2.21818
   A27        2.20655   0.00000  -0.00014  -0.00004  -0.00018   2.20637
   A28        1.93579  -0.00001  -0.00004  -0.00003  -0.00007   1.93573
   A29        1.93454   0.00000  -0.00001   0.00001   0.00000   1.93454
   A30        1.93413   0.00000   0.00000   0.00003   0.00003   1.93416
   A31        1.88927   0.00000   0.00001  -0.00003  -0.00002   1.88924
   A32        1.88559   0.00000   0.00001   0.00001   0.00002   1.88561
   A33        1.88264   0.00000   0.00003   0.00002   0.00005   1.88268
   A34        1.97113  -0.00001  -0.00008  -0.00001  -0.00010   1.97104
   A35        1.91248   0.00001  -0.00002   0.00004   0.00002   1.91249
   A36        1.91159   0.00000   0.00000  -0.00001  -0.00001   1.91158
   A37        1.90060   0.00000   0.00004  -0.00001   0.00003   1.90063
   A38        1.89030   0.00001   0.00003   0.00002   0.00006   1.89035
   A39        1.87521   0.00000   0.00004  -0.00002   0.00001   1.87522
   A40        1.94196   0.00002   0.00001   0.00004   0.00006   1.94202
   A41        1.94090   0.00000  -0.00001  -0.00001  -0.00002   1.94087
   A42        1.90375  -0.00001   0.00008  -0.00002   0.00007   1.90382
   A43        1.90343  -0.00001  -0.00006  -0.00004  -0.00009   1.90334
   A44        1.88781   0.00000   0.00001   0.00001   0.00002   1.88783
   A45        1.88434   0.00000  -0.00004   0.00001  -0.00003   1.88431
   A46        2.10558   0.00002   0.00004  -0.00001   0.00003   2.10561
   A47        2.04036  -0.00001  -0.00005   0.00002  -0.00003   2.04033
   A48        2.13663  -0.00001   0.00001  -0.00001   0.00000   2.13663
   A49        1.81413   0.00002   0.00017   0.00020   0.00037   1.81450
   A50        1.84281   0.00000  -0.00016  -0.00016  -0.00032   1.84249
   A51        1.93810   0.00000   0.00004  -0.00001   0.00003   1.93814
   A52        1.92238   0.00001   0.00001   0.00002   0.00003   1.92241
   A53        1.94217   0.00000  -0.00004   0.00000  -0.00005   1.94213
   A54        1.88578   0.00000  -0.00002  -0.00003  -0.00004   1.88574
   A55        1.89177   0.00000   0.00000   0.00001   0.00001   1.89177
   A56        1.88174   0.00000   0.00001   0.00000   0.00002   1.88175
   A57        1.97674  -0.00001   0.00000  -0.00001  -0.00001   1.97673
   A58        1.90124   0.00000   0.00003  -0.00002   0.00001   1.90125
   A59        1.90731   0.00001  -0.00003   0.00002   0.00000   1.90730
   A60        1.90405   0.00001   0.00001   0.00002   0.00003   1.90408
   A61        1.91300   0.00000  -0.00004  -0.00002  -0.00006   1.91294
   A62        1.85769   0.00000   0.00004   0.00000   0.00004   1.85773
   A63        2.32103  -0.00001   0.00006   0.00000   0.00006   2.32110
   A64        2.13595   0.00001  -0.00007   0.00001  -0.00006   2.13589
   A65        1.82603   0.00000   0.00001  -0.00001   0.00000   1.82603
   A66        1.91812   0.00000   0.00000   0.00000   0.00001   1.91813
   A67        2.24604   0.00001  -0.00003   0.00003   0.00000   2.24604
   A68        2.11838  -0.00001   0.00002  -0.00003  -0.00001   2.11837
   A69        1.90203   0.00000  -0.00002   0.00000  -0.00002   1.90201
   A70        2.18849   0.00000   0.00000  -0.00001  -0.00001   2.18848
   A71        2.19221   0.00000   0.00003   0.00001   0.00004   2.19225
   A72        1.91675   0.00000   0.00002   0.00001   0.00003   1.91678
   A73        2.18681   0.00000  -0.00002  -0.00001  -0.00003   2.18679
   A74        2.17888   0.00000  -0.00001  -0.00001  -0.00001   2.17887
   A75        1.86182   0.00000  -0.00002  -0.00001  -0.00002   1.86180
   A76        2.19963   0.00002  -0.00011   0.00003  -0.00008   2.19956
   A77        2.19620  -0.00002   0.00011  -0.00003   0.00008   2.19629
   A78        1.94207   0.00000   0.00001  -0.00001   0.00000   1.94208
   A79        1.94047   0.00000  -0.00003   0.00000  -0.00003   1.94044
   A80        1.92540  -0.00001   0.00001  -0.00002  -0.00001   1.92539
   A81        1.89012   0.00000   0.00000   0.00001   0.00001   1.89013
   A82        1.87707   0.00000  -0.00001   0.00000  -0.00001   1.87706
   A83        1.88654   0.00001   0.00002   0.00002   0.00004   1.88659
   A84        1.95902   0.00000   0.00003   0.00000   0.00003   1.95905
   A85        1.90785   0.00000   0.00001   0.00001   0.00002   1.90787
   A86        1.90633   0.00000  -0.00002  -0.00001  -0.00003   1.90629
   A87        1.91227   0.00000  -0.00003   0.00001  -0.00002   1.91225
   A88        1.91946   0.00000   0.00001   0.00000   0.00000   1.91946
   A89        1.85603   0.00000   0.00000   0.00000   0.00000   1.85603
   A90        2.30236  -0.00001   0.00005  -0.00003   0.00002   2.30239
   A91        2.15440   0.00001  -0.00005   0.00002  -0.00003   2.15437
   A92        1.82641   0.00000   0.00000   0.00000   0.00000   1.82641
   A93        1.91779   0.00000   0.00001  -0.00001   0.00000   1.91779
   A94        2.24961   0.00000  -0.00002   0.00000  -0.00002   2.24960
   A95        2.11578   0.00000   0.00001   0.00001   0.00001   2.11580
   A96        1.89978   0.00000  -0.00001   0.00001   0.00000   1.89978
   A97        2.19035   0.00000  -0.00001   0.00001   0.00001   2.19035
   A98        2.19293  -0.00001   0.00001  -0.00002   0.00000   2.19292
   A99        1.91545   0.00000   0.00003  -0.00001   0.00002   1.91547
   A100       2.18936   0.00000   0.00000   0.00002   0.00002   2.18937
   A101       2.17812  -0.00001  -0.00002  -0.00001  -0.00003   2.17808
   A102       1.86532   0.00000  -0.00003   0.00000  -0.00002   1.86530
   A103       2.21212   0.00001  -0.00008   0.00000  -0.00008   2.21205
   A104       2.19073   0.00000   0.00006   0.00001   0.00006   2.19079
   A105       1.71563  -0.00001  -0.00018  -0.00003  -0.00021   1.71542
   A106       1.56130   0.00000   0.00027  -0.00003   0.00024   1.56154
   A107       1.68649   0.00000  -0.00009  -0.00016  -0.00024   1.68624
   A108       3.00422   0.00000   0.00017   0.00006   0.00023   3.00445
   A109       1.66408   0.00000   0.00010  -0.00002   0.00008   1.66416
   A110       1.72183   0.00000   0.00005   0.00004   0.00010   1.72192
   A111       1.61386   0.00000   0.00000   0.00007   0.00007   1.61393
   A112       1.48468   0.00001   0.00001   0.00009   0.00011   1.48479
   A113       2.89446   0.00001   0.00011   0.00006   0.00017   2.89463
   A114       2.90492   0.00000  -0.00014   0.00002  -0.00012   2.90479
   A115       1.44839  -0.00001  -0.00014   0.00011  -0.00003   1.44837
   A116       1.48713  -0.00001  -0.00025  -0.00006  -0.00031   1.48681
   A117       1.57617   0.00001  -0.00002   0.00006   0.00004   1.57621
   A118       1.43426   0.00000   0.00016   0.00000   0.00017   1.43442
   A119       1.42907   0.00000   0.00003  -0.00005  -0.00002   1.42905
   A120       2.10642  -0.00001   0.00016   0.00016   0.00032   2.10674
   A121       2.17853  -0.00001  -0.00014  -0.00013  -0.00027   2.17826
   A122       1.76625   0.00002  -0.00009  -0.00006  -0.00015   1.76610
   A123       2.07963  -0.00002   0.00029   0.00038   0.00067   2.08030
   A124       2.90745  -0.00002  -0.00019  -0.00032  -0.00050   2.90695
   A125       2.13100   0.00000  -0.00015   0.00001  -0.00014   2.13086
   A126       2.11465   0.00001   0.00012  -0.00001   0.00011   2.11476
   A127       2.03740  -0.00001   0.00003   0.00000   0.00002   2.03742
   A128       2.29615   0.00001   0.00012   0.00011   0.00023   2.29638
   A129       2.14538   0.00000  -0.00017   0.00001  -0.00016   2.14522
   A130       2.07031   0.00000   0.00010  -0.00001   0.00010   2.07041
   A131       2.06723   0.00000   0.00006  -0.00001   0.00006   2.06728
   A132       1.98056   0.00000   0.00003  -0.00004  -0.00001   1.98055
   A133       1.90311   0.00000   0.00000  -0.00002  -0.00002   1.90309
   A134       1.90242   0.00000   0.00001   0.00001   0.00002   1.90244
   A135       1.82010   0.00000   0.00004   0.00003   0.00006   1.82016
   A136       1.94906   0.00001  -0.00007   0.00002  -0.00005   1.94901
   A137       1.90578   0.00000  -0.00001   0.00000  -0.00001   1.90577
   A138       2.09890  -0.00001   0.00007  -0.00003   0.00004   2.09895
   A139       2.03093   0.00003  -0.00001   0.00002   0.00001   2.03094
   A140       2.15123  -0.00002  -0.00006   0.00001  -0.00005   2.15118
   A141       2.07002   0.00002  -0.00012  -0.00013  -0.00025   2.06978
   A142       2.06335   0.00001   0.00004   0.00000   0.00004   2.06339
   A143       2.16115  -0.00003  -0.00002  -0.00003  -0.00006   2.16109
   A144       2.03926   0.00001   0.00001  -0.00001   0.00000   2.03926
   A145       1.91479  -0.00001  -0.00008  -0.00002  -0.00010   1.91469
   A146       1.89484   0.00000   0.00001  -0.00001   0.00000   1.89485
   A147       1.90491   0.00001  -0.00002   0.00003   0.00002   1.90493
   A148       1.91096   0.00000  -0.00004   0.00000  -0.00004   1.91092
   A149       1.92997   0.00000   0.00007  -0.00001   0.00006   1.93002
   A150       1.90799   0.00000   0.00005   0.00001   0.00006   1.90805
   A151       1.90430   0.00002   0.00010   0.00006   0.00015   1.90445
   A152       1.90409   0.00000  -0.00002  -0.00003  -0.00005   1.90405
   A153       1.97702   0.00000  -0.00004  -0.00001  -0.00005   1.97697
   A154       1.87652  -0.00001  -0.00001  -0.00001  -0.00002   1.87650
   A155       1.89332   0.00000  -0.00002   0.00000  -0.00002   1.89330
   A156       1.90599   0.00000   0.00000  -0.00001  -0.00001   1.90598
    D1        3.11072   0.00000   0.00014   0.00003   0.00017   3.11089
    D2        1.00678   0.00000   0.00006   0.00000   0.00005   1.00684
    D3       -1.01923   0.00000   0.00010   0.00001   0.00011  -1.01911
    D4        1.02025   0.00000   0.00014   0.00002   0.00015   1.02041
    D5       -1.08368   0.00000   0.00005  -0.00001   0.00004  -1.08364
    D6       -3.10969   0.00000   0.00009   0.00000   0.00010  -3.10959
    D7       -1.08881   0.00000   0.00014   0.00004   0.00018  -1.08863
    D8        3.09044   0.00000   0.00005   0.00001   0.00006   3.09051
    D9        1.06443   0.00000   0.00009   0.00003   0.00012   1.06456
   D10       -2.11799  -0.00001  -0.00032   0.00007  -0.00024  -2.11823
   D11        1.02464   0.00000   0.00017   0.00004   0.00021   1.02486
   D12        0.00231   0.00000  -0.00025   0.00010  -0.00014   0.00217
   D13       -3.13824   0.00000   0.00024   0.00007   0.00031  -3.13793
   D14        2.01915   0.00000  -0.00034   0.00010  -0.00024   2.01890
   D15       -1.12141   0.00000   0.00015   0.00006   0.00021  -1.12120
   D16       -3.13880   0.00000   0.00033  -0.00008   0.00025  -3.13856
   D17        0.01669   0.00000   0.00062  -0.00001   0.00060   0.01730
   D18        0.00189   0.00000  -0.00009  -0.00005  -0.00015   0.00174
   D19       -3.12580   0.00000   0.00019   0.00002   0.00021  -3.12559
   D20        3.13943   0.00000  -0.00040   0.00003  -0.00037   3.13906
   D21       -0.01493   0.00000  -0.00007   0.00002  -0.00005  -0.01497
   D22       -0.00136   0.00000  -0.00003   0.00000  -0.00002  -0.00138
   D23        3.12747   0.00000   0.00031  -0.00001   0.00030   3.12777
   D24       -0.00173   0.00001   0.00018   0.00009   0.00027  -0.00146
   D25        3.10747   0.00000  -0.00018   0.00001  -0.00017   3.10730
   D26        3.12707   0.00000  -0.00009   0.00002  -0.00006   3.12701
   D27       -0.04692   0.00000  -0.00044  -0.00005  -0.00050  -0.04742
   D28        0.00033   0.00000   0.00014   0.00006   0.00019   0.00052
   D29       -3.13646   0.00001   0.00000   0.00009   0.00009  -3.13637
   D30       -3.12845   0.00000  -0.00019   0.00006  -0.00013  -3.12858
   D31        0.01794   0.00000  -0.00033   0.00010  -0.00024   0.01770
   D32        0.00084  -0.00001  -0.00019  -0.00009  -0.00028   0.00056
   D33       -3.10863   0.00000   0.00016  -0.00001   0.00014  -3.10849
   D34        3.13751  -0.00001  -0.00005  -0.00012  -0.00017   3.13733
   D35        0.02804   0.00000   0.00030  -0.00005   0.00025   0.02829
   D36        1.94654   0.00000   0.00026   0.00012   0.00038   1.94692
   D37       -2.61460   0.00001   0.00036   0.00015   0.00051  -2.61409
   D38        0.31496   0.00001   0.00030   0.00008   0.00037   0.31534
   D39       -2.33203   0.00001  -0.00043   0.00080   0.00037  -2.33167
   D40       -1.12873   0.00000   0.00013   0.00009   0.00022  -1.12852
   D41       -1.23367   0.00000  -0.00016   0.00003  -0.00013  -1.23380
   D42        0.48837   0.00000  -0.00006   0.00006   0.00000   0.48837
   D43       -2.86525   0.00000  -0.00013  -0.00001  -0.00014  -2.86539
   D44        0.77094   0.00000  -0.00085   0.00071  -0.00015   0.77080
   D45        1.97424  -0.00001  -0.00030   0.00000  -0.00029   1.97394
   D46        1.06367   0.00000   0.00020   0.00002   0.00022   1.06389
   D47       -3.09748   0.00000   0.00018   0.00002   0.00020  -3.09728
   D48       -1.04457   0.00000   0.00021   0.00001   0.00022  -1.04435
   D49       -1.03550   0.00001   0.00021   0.00008   0.00029  -1.03521
   D50        1.08654   0.00000   0.00020   0.00008   0.00028   1.08681
   D51        3.13944   0.00000   0.00023   0.00007   0.00030   3.13974
   D52       -3.12524   0.00000   0.00018   0.00003   0.00022  -3.12503
   D53       -1.00321   0.00000   0.00016   0.00003   0.00020  -1.00301
   D54        1.04970   0.00000   0.00020   0.00002   0.00022   1.04992
   D55       -1.08490   0.00000   0.00014   0.00002   0.00016  -1.08474
   D56        1.04078   0.00000   0.00007   0.00000   0.00007   1.04085
   D57        3.11707   0.00000   0.00006   0.00000   0.00006   3.11713
   D58        3.06956   0.00000   0.00019  -0.00001   0.00018   3.06975
   D59       -1.08794   0.00000   0.00012  -0.00003   0.00009  -1.08785
   D60        0.98835   0.00000   0.00011  -0.00003   0.00008   0.98843
   D61        1.03542   0.00000   0.00011   0.00002   0.00012   1.03554
   D62       -3.12208   0.00000   0.00004  -0.00001   0.00003  -3.12205
   D63       -1.04580   0.00000   0.00003  -0.00001   0.00002  -1.04578
   D64       -0.87858   0.00000   0.00054   0.00000   0.00054  -0.87804
   D65        2.22633   0.00000   0.00060  -0.00005   0.00055   2.22687
   D66       -3.02590   0.00000   0.00058   0.00001   0.00059  -3.02530
   D67        0.07901   0.00000   0.00064  -0.00004   0.00060   0.07961
   D68        1.21212   0.00000   0.00066   0.00001   0.00067   1.21279
   D69       -1.96615   0.00000   0.00072  -0.00004   0.00067  -1.96548
   D70        2.98710   0.00000   0.00054  -0.00008   0.00046   2.98756
   D71       -0.11574  -0.00001   0.00048  -0.00003   0.00045  -0.11528
   D72       -2.99460   0.00000  -0.00022   0.00000  -0.00022  -2.99482
   D73        0.10960   0.00000  -0.00015  -0.00005  -0.00021   0.10939
   D74       -0.00048   0.00002  -0.00097   0.00022  -0.00076  -0.00124
   D75        0.22732   0.00000  -0.00086  -0.00054  -0.00140   0.22591
   D76       -1.04722   0.00000   0.00000  -0.00004  -0.00004  -1.04726
   D77        1.07495   0.00000   0.00002  -0.00002   0.00000   1.07495
   D78        3.09793   0.00000   0.00007  -0.00002   0.00005   3.09798
   D79       -3.13552   0.00000  -0.00001  -0.00002  -0.00003  -3.13555
   D80       -1.01335   0.00000   0.00001   0.00000   0.00001  -1.01334
   D81        1.00963   0.00000   0.00006   0.00000   0.00006   1.00969
   D82        1.06180   0.00000  -0.00001  -0.00004  -0.00004   1.06176
   D83       -3.09921   0.00000   0.00002  -0.00002   0.00000  -3.09921
   D84       -1.07623   0.00000   0.00007  -0.00002   0.00005  -1.07619
   D85       -0.08225  -0.00001   0.00068   0.00037   0.00105  -0.08120
   D86        3.03615   0.00000   0.00068   0.00044   0.00112   3.03727
   D87       -2.20284  -0.00001   0.00065   0.00038   0.00102  -2.20182
   D88        0.91556   0.00000   0.00064   0.00045   0.00109   0.91665
   D89        2.05262  -0.00001   0.00062   0.00038   0.00099   2.05362
   D90       -1.11216   0.00000   0.00061   0.00045   0.00106  -1.11110
   D91        3.11682   0.00001   0.00006   0.00006   0.00013   3.11694
   D92        0.01377   0.00001   0.00012   0.00008   0.00019   0.01396
   D93       -0.00454   0.00000   0.00007   0.00000   0.00007  -0.00447
   D94       -3.10759   0.00001   0.00012   0.00001   0.00014  -3.10745
   D95       -3.11733  -0.00001  -0.00003  -0.00007  -0.00010  -3.11743
   D96       -0.00655  -0.00001   0.00033  -0.00013   0.00020  -0.00635
   D97        0.00673   0.00000  -0.00003  -0.00002  -0.00005   0.00668
   D98        3.11751   0.00000   0.00033  -0.00008   0.00025   3.11776
   D99        0.00069   0.00000  -0.00009   0.00002  -0.00007   0.00062
   D100      -2.91032   0.00000  -0.00006   0.00004  -0.00002  -2.91034
   D101       3.10704   0.00000  -0.00014   0.00001  -0.00013   3.10691
   D102       0.19604   0.00000  -0.00011   0.00003  -0.00008   0.19596
   D103      -0.00666   0.00000  -0.00002   0.00003   0.00001  -0.00665
   D104       3.09489   0.00000  -0.00006  -0.00003  -0.00010   3.09480
   D105      -3.11735   0.00000  -0.00038   0.00009  -0.00029  -3.11764
   D106      -0.01580   0.00000  -0.00042   0.00002  -0.00039  -0.01620
   D107       0.00366   0.00000   0.00007  -0.00003   0.00004   0.00370
   D108       2.91525   0.00000   0.00000  -0.00004  -0.00004   2.91521
   D109      -3.09811   0.00000   0.00010   0.00004   0.00014  -3.09797
   D110      -0.18652   0.00000   0.00004   0.00002   0.00006  -0.18646
   D111      -0.47742   0.00000   0.00009  -0.00019  -0.00010  -0.47752
   D112      -2.06071   0.00000  -0.00017  -0.00016  -0.00033  -2.06104
   D113       1.21674   0.00000  -0.00001  -0.00034  -0.00035   1.21639
   D114       2.78921   0.00000  -0.00002  -0.00028  -0.00031   2.78891
   D115       2.39107  -0.00001   0.00056  -0.00014   0.00041   2.39148
   D116       2.93762   0.00000   0.00015  -0.00017  -0.00002   2.93760
   D117       1.35433   0.00000  -0.00011  -0.00014  -0.00025   1.35408
   D118      -1.65141   0.00000   0.00005  -0.00032  -0.00027  -1.65168
   D119      -0.07893   0.00000   0.00003  -0.00026  -0.00023  -0.07916
   D120      -0.47708   0.00000   0.00061  -0.00013   0.00049  -0.47659
   D121      -1.05675   0.00000   0.00001   0.00000   0.00001  -1.05673
   D122       3.10094   0.00000   0.00002  -0.00001   0.00001   3.10094
   D123       1.07681   0.00000   0.00003  -0.00001   0.00002   1.07682
   D124       1.05174   0.00000   0.00000   0.00001   0.00001   1.05174
   D125      -1.07376   0.00000   0.00000   0.00000   0.00000  -1.07376
   D126      -3.09789   0.00000   0.00002  -0.00001   0.00001  -3.09788
   D127      -3.13868   0.00000   0.00001   0.00002   0.00004  -3.13865
   D128       1.01900   0.00000   0.00002   0.00001   0.00003   1.01903
   D129      -1.00513   0.00000   0.00003   0.00001   0.00004  -1.00509
   D130       0.37073   0.00000   0.00081   0.00028   0.00109   0.37182
   D131      -2.76330   0.00000   0.00084   0.00032   0.00116  -2.76213
   D132       2.49371   0.00000   0.00082   0.00029   0.00112   2.49483
   D133      -0.64032   0.00000   0.00086   0.00034   0.00119  -0.63913
   D134      -1.75535   0.00000   0.00081   0.00030   0.00110  -1.75424
   D135       1.39380   0.00000   0.00084   0.00034   0.00118   1.39499
   D136      -3.12757   0.00000  -0.00004  -0.00001  -0.00005  -3.12762
   D137       0.01169   0.00000   0.00018   0.00000   0.00017   0.01187
   D138       0.00750   0.00000  -0.00007  -0.00005  -0.00012   0.00738
   D139      -3.13642   0.00000   0.00015  -0.00004   0.00011  -3.13632
   D140       3.12823   0.00000   0.00002   0.00004   0.00006   3.12829
   D141       0.00304   0.00000   0.00005  -0.00007  -0.00003   0.00302
   D142      -0.00755   0.00001   0.00005   0.00007   0.00012  -0.00743
   D143      -3.13273   0.00000   0.00007  -0.00004   0.00003  -3.13270
   D144      -0.00473   0.00000   0.00007   0.00001   0.00008  -0.00465
   D145       2.95858   0.00000  -0.00020   0.00007  -0.00013   2.95845
   D146       3.13898   0.00000  -0.00013   0.00000  -0.00013   3.13885
   D147      -0.18089   0.00000  -0.00040   0.00007  -0.00033  -0.18123
   D148       0.00496   0.00000   0.00000  -0.00007  -0.00007   0.00489
   D149      -3.11280   0.00000  -0.00018  -0.00003  -0.00020  -3.11300
   D150       3.13012   0.00000  -0.00003   0.00004   0.00001   3.13013
   D151       0.01236   0.00000  -0.00020   0.00008  -0.00012   0.01224
   D152      -0.00019   0.00000  -0.00004   0.00004   0.00000  -0.00019
   D153      -2.96629   0.00000   0.00024  -0.00003   0.00022  -2.96608
   D154       3.11775   0.00000   0.00013   0.00000   0.00013   3.11788
   D155       0.15165   0.00000   0.00042  -0.00007   0.00035   0.15200
   D156      -1.44206   0.00000   0.00033  -0.00020   0.00014  -1.44192
   D157       0.27380  -0.00001   0.00020  -0.00024  -0.00004   0.27376
   D158       2.80024   0.00000  -0.00023   0.00066   0.00043   2.80068
   D159       1.73801   0.00000   0.00018  -0.00013   0.00005   1.73807
   D160      -3.10727   0.00000   0.00025  -0.00018   0.00007  -3.10720
   D161       1.48949   0.00000   0.00000  -0.00012  -0.00011   1.48938
   D162      -3.07784  -0.00001  -0.00013  -0.00016  -0.00029  -3.07813
   D163      -0.55140   0.00001  -0.00056   0.00074   0.00018  -0.55121
   D164      -1.61362   0.00000  -0.00015  -0.00005  -0.00020  -1.61382
   D165      -0.17572   0.00000  -0.00008  -0.00010  -0.00018  -0.17590
   D166       1.75426  -0.00001  -0.00043  -0.00028  -0.00071   1.75354
   D167      -0.57515  -0.00001  -0.00029  -0.00023  -0.00052  -0.57566
   D168       0.03245   0.00000  -0.00025  -0.00025  -0.00050   0.03195
   D169      -2.29696   0.00001  -0.00011  -0.00019  -0.00030  -2.29726
   D170      -2.50138  -0.00001   0.00016  -0.00113  -0.00097  -2.50234
   D171       1.45241  -0.00001   0.00031  -0.00108  -0.00077   1.45163
   D172      -1.45239  -0.00001  -0.00026  -0.00034  -0.00061  -1.45299
   D173       2.50140  -0.00001  -0.00012  -0.00029  -0.00041   2.50099
   D174      -2.87936  -0.00001  -0.00030  -0.00029  -0.00058  -2.87995
   D175       1.07442  -0.00001  -0.00016  -0.00023  -0.00039   1.07403
   D176       1.00895   0.00000   0.00026  -0.00066  -0.00039   1.00856
   D177       3.02799   0.00000  -0.00046   0.00000  -0.00045   3.02754
   D178       1.29369   0.00000  -0.00052  -0.00001  -0.00054   1.29315
   D179      -1.64164   0.00000  -0.00045   0.00006  -0.00039  -1.64202
   D180      -0.20955   0.00000  -0.00028   0.00006  -0.00022  -0.20977
   D181       2.08835   0.00000  -0.00003  -0.00022  -0.00026   2.08809
   D182      -0.78186   0.00000  -0.00048  -0.00027  -0.00075  -0.78261
   D183      -2.64146   0.00000   0.00021  -0.00026  -0.00005  -2.64151
   D184       0.41319   0.00000   0.00006  -0.00007  -0.00001   0.41318
   D185      -1.18269  -0.00001   0.00010  -0.00014  -0.00004  -1.18273
   D186      -2.39177   0.00000   0.00081  -0.00011   0.00070  -2.39107
   D187       0.09704  -0.00001   0.00065  -0.00021   0.00044   0.09747
   D188       2.11130  -0.00001   0.00039   0.00080   0.00119   2.11249
   D189      -0.34065   0.00000   0.00040   0.00076   0.00116  -0.33949
   D190       0.90534  -0.00001   0.00026   0.00013   0.00040   0.90573
   D191      -2.25531  -0.00001   0.00042  -0.00022   0.00021  -2.25510
   D192       0.07619   0.00000   0.00003  -0.00017  -0.00014   0.07606
   D193      -3.09085   0.00000  -0.00016  -0.00024  -0.00040  -3.09125
   D194      -3.04715   0.00001  -0.00012   0.00016   0.00005  -3.04710
   D195       0.06900   0.00000  -0.00031   0.00009  -0.00022   0.06877
   D196      -1.14894   0.00000  -0.00026   0.00026  -0.00001  -1.14894
   D197       0.89650   0.00000  -0.00024   0.00026   0.00003   0.89653
   D198       3.02339   0.00000  -0.00028   0.00023  -0.00005   3.02334
   D199       1.97458   0.00000  -0.00012  -0.00007  -0.00019   1.97439
   D200      -2.26316   0.00000  -0.00009  -0.00007  -0.00015  -2.26332
   D201      -0.13627   0.00000  -0.00013  -0.00011  -0.00024  -0.13651
   D202      -1.44477   0.00000   0.00005   0.00016   0.00021  -1.44456
   D203       0.57546   0.00000   0.00011   0.00016   0.00027   0.57573
   D204       2.65452   0.00000   0.00011   0.00015   0.00026   2.65478
   D205       1.72222   0.00001   0.00024   0.00024   0.00048   1.72270
   D206      -2.54073   0.00001   0.00030   0.00023   0.00054  -2.54019
   D207      -0.46167   0.00000   0.00030   0.00022   0.00053  -0.46114
   D208       0.69388   0.00001  -0.00009  -0.00012  -0.00021   0.69367
   D209      -2.51543   0.00000  -0.00010  -0.00008  -0.00018  -2.51561
   D210      -1.37484   0.00001  -0.00013  -0.00009  -0.00022  -1.37506
   D211       1.69904   0.00000  -0.00014  -0.00005  -0.00019   1.69884
   D212       2.85253   0.00001  -0.00011  -0.00012  -0.00022   2.85231
   D213      -0.35678   0.00000  -0.00012  -0.00007  -0.00019  -0.35697
   D214       1.01270  -0.00001   0.00013   0.00006   0.00019   1.01290
   D215      -2.05632   0.00000   0.00014   0.00001   0.00015  -2.05617
   D216       0.00129  -0.00001   0.00005  -0.00029  -0.00024   0.00105
   D217      -2.92280   0.00000  -0.00008  -0.00005  -0.00013  -2.92292
   D218       3.07293  -0.00001   0.00005  -0.00025  -0.00020   3.07273
   D219       0.14884   0.00000  -0.00008   0.00000  -0.00009   0.14876
   D220      -2.44221  -0.00001  -0.00101  -0.00019  -0.00120  -2.44341
   D221      -0.35452  -0.00001  -0.00109  -0.00021  -0.00130  -0.35582
   D222       1.72382  -0.00001  -0.00104  -0.00018  -0.00122   1.72260
   D223       0.91413   0.00000  -0.00114   0.00005  -0.00109   0.91304
   D224       3.00182   0.00000  -0.00123   0.00003  -0.00120   3.00062
   D225      -1.20303   0.00000  -0.00117   0.00006  -0.00111  -1.20414
         Item               Value     Threshold  Converged?
 Maximum Force            0.000138     0.000450     YES
 RMS     Force            0.000011     0.000300     YES
 Maximum Displacement     0.003640     0.001800     NO 
 RMS     Displacement     0.000736     0.001200     YES
 Predicted change in Energy=-2.427887D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.069484    2.541841    3.559912
      2          6           0       -3.328577    1.183033    3.656970
      3          6           0       -2.080257    1.110831    2.821728
      4          6           0       -1.697100    0.258680    1.796770
      5          7           0       -1.001358    1.995875    2.979832
      6          6           0       -0.024279    1.662728    2.074070
      7          7           0       -0.414265    0.610878    1.339295
      8          6           0       -5.229936    0.899155    0.148471
      9          6           0       -5.870893   -0.171652   -0.761548
     10          6           0       -5.243256   -1.575290   -0.576159
     11          6           0       -3.762882   -1.573482   -0.948455
     12          8           0       -3.372874   -1.085610   -2.060266
     13          8           0       -2.910592   -2.062523   -0.042007
     14          6           0       -2.269412    4.237499   -2.984455
     15          6           0       -0.998877    3.835698   -3.762500
     16          6           0       -0.196214    2.761442   -3.076596
     17          6           0       -0.324033    2.121412   -1.853243
     18          7           0        0.928324    2.165262   -3.673259
     19          6           0        1.427818    1.206673   -2.826180
     20          7           0        0.689320    1.157981   -1.709097
     21          6           0        4.686706    4.005604    1.482763
     22          6           0        5.165323    2.626447    1.986260
     23          6           0        4.196193    1.526912    1.643427
     24          6           0        3.202837    1.434105    0.678956
     25          7           0        4.142061    0.302021    2.327847
     26          6           0        3.141513   -0.469211    1.780925
     27          7           0        2.556116    0.194611    0.778528
     28         30           0        0.757094   -0.394883   -0.220344
     29          1           0       -4.983623    2.519179    4.164573
     30          1           0       -4.350285    2.760513    2.523686
     31          1           0       -3.452349    3.372479    3.929817
     32          1           0       -3.996794    0.379960    3.328001
     33          1           0       -3.088781    0.975100    4.710766
     34          1           0       -2.251689   -0.559062    1.359012
     35          1           0       -0.958584    2.758393    3.643286
     36          1           0        0.915574    2.182210    1.986269
     37          1           0       -4.160618    1.010910   -0.071458
     38          1           0       -5.336757    0.626676    1.208205
     39          1           0       -5.711284    1.875470    0.001304
     40          1           0       -6.948784   -0.233480   -0.554792
     41          1           0       -5.753890    0.122151   -1.811929
     42          1           0       -5.351957   -1.924834    0.456923
     43          1           0       -5.760685   -2.289770   -1.232020
     44          1           0       -2.939146    3.379363   -2.854092
     45          1           0       -2.815934    5.014742   -3.529932
     46          1           0       -2.019834    4.635647   -1.992842
     47          1           0       -1.289656    3.483886   -4.763774
     48          1           0       -0.369680    4.725895   -3.915623
     49          1           0       -1.077386    2.260328   -1.096270
     50          1           0        1.292097    2.387910   -4.591219
     51          1           0        2.263179    0.560889   -3.040397
     52          1           0        4.574671    4.013970    0.391769
     53          1           0        3.723143    4.278077    1.929899
     54          1           0        5.415255    4.780499    1.745982
     55          1           0        5.306712    2.666160    3.076328
     56          1           0        6.152436    2.405670    1.553953
     57          1           0        2.911814    2.157819   -0.064157
     58          1           0        4.732610    0.036942    3.106108
     59          1           0        2.852899   -1.450576    2.119924
     60          8           0       -0.791666   -1.395549   -1.067114
     61          1           0       -1.212409   -1.064571   -1.892939
     62          1           0       -1.669897   -1.779339   -0.518027
     63          6           0        2.983191   -2.517922   -1.579369
     64          8           0        2.281254   -1.469662   -1.706982
     65          7           0        2.442570   -3.710681   -1.186619
     66          6           0        1.006064   -3.901281   -0.972069
     67          6           0        0.527545   -3.439008    0.412101
     68          8           0        0.994763   -2.370029    0.930385
     69          7           0       -0.449640   -4.173179    0.984452
     70          1           0        0.451707   -3.267345   -1.675963
     71          1           0        0.754011   -4.950808   -1.157392
     72          1           0        3.058946   -4.504231   -1.058922
     73          1           0       -0.806435   -4.976334    0.476833
     74          6           0       -1.214584   -3.740737    2.170246
     75          1           0       -1.372175   -4.593250    2.838930
     76          1           0       -0.642511   -2.970235    2.691001
     77          1           0       -2.174796   -3.322665    1.845870
     78          6           0        4.470616   -2.509150   -1.882591
     79          1           0        4.617660   -2.326827   -2.953761
     80          1           0        4.941775   -1.683335   -1.340126
     81          1           0        4.971539   -3.446071   -1.618094
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0969079      0.0726822      0.0659897
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.0983811062 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122067.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000066   -0.000018   -0.000066 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581730     A.U. after    7 cycles
            NFock=  7  Conv=0.70D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122067.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000006014    0.000010248    0.000005121
      3        6           0.000004811    0.000015073    0.000003188
      4        6           0.000017795    0.000000149    0.000016180
      5        7          -0.000029333   -0.000003541   -0.000009647
      6        6           0.000041105   -0.000012845    0.000013943
      7        7          -0.000024174   -0.000005180   -0.000011242
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000008037    0.000009911    0.000012929
     10        6          -0.000002652   -0.000012722    0.000001178
     11        6          -0.000030843    0.000020534    0.000046065
     12        8          -0.000032358    0.000011798    0.000000326
     13        8           0.000144296    0.000037868    0.000014658
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000002024   -0.000015277    0.000009626
     16        6           0.000009853    0.000018317   -0.000012059
     17        6           0.000007277   -0.000034560   -0.000005296
     18        7          -0.000020421    0.000004625    0.000009903
     19        6          -0.000009217   -0.000000840   -0.000006726
     20        7           0.000032510    0.000018937    0.000027734
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000000507    0.000005633   -0.000001470
     23        6          -0.000016600    0.000019875    0.000009836
     24        6          -0.000002900    0.000005529   -0.000006525
     25        7           0.000011265   -0.000017863   -0.000005696
     26        6          -0.000019349    0.000009432   -0.000005722
     27        7           0.000061990   -0.000006049    0.000035449
     28       30          -0.000099534   -0.000063704   -0.000071278
     29        1           0.000000235   -0.000002911   -0.000000204
     30        1          -0.000011734    0.000007849    0.000018244
     31        1           0.000006913    0.000016776   -0.000010731
     32        1          -0.000009341   -0.000019198    0.000011128
     33        1           0.000015068   -0.000006573   -0.000022122
     34        1           0.000002708    0.000008171   -0.000002404
     35        1          -0.000000081   -0.000003191   -0.000004533
     36        1          -0.000005798    0.000001627    0.000003740
     37        1          -0.000006599    0.000002711   -0.000000412
     38        1          -0.000002474   -0.000002113   -0.000005046
     39        1          -0.000004503    0.000003378    0.000001247
     40        1          -0.000000223    0.000004415   -0.000008642
     41        1           0.000005315   -0.000005236   -0.000002741
     42        1          -0.000004246   -0.000003522   -0.000002254
     43        1           0.000005186   -0.000002731   -0.000001915
     44        1          -0.000001730   -0.000002791   -0.000003355
     45        1           0.000002315    0.000000167    0.000002127
     46        1           0.000003218   -0.000000109   -0.000003157
     47        1          -0.000000892   -0.000005836    0.000001244
     48        1          -0.000000560    0.000004748    0.000000403
     49        1          -0.000002548    0.000009183    0.000001587
     50        1           0.000005652    0.000010745   -0.000006757
     51        1          -0.000003119   -0.000002454    0.000004883
     52        1          -0.000001952    0.000001223    0.000000636
     53        1          -0.000002288    0.000001331   -0.000001359
     54        1          -0.000001456    0.000004348   -0.000001795
     55        1           0.000000128   -0.000001484   -0.000001035
     56        1           0.000001049   -0.000001105   -0.000000714
     57        1           0.000001418   -0.000000911    0.000001798
     58        1          -0.000001785    0.000004291   -0.000003257
     59        1           0.000009583    0.000000558    0.000006531
     60        8           0.000080582    0.000094255    0.000040408
     61        1           0.000039348   -0.000042610    0.000018752
     62        1          -0.000183004   -0.000087588   -0.000090630
     63        6           0.000041333    0.000025089   -0.000025825
     64        8          -0.000050093   -0.000000229    0.000019235
     65        7          -0.000015272   -0.000020997    0.000022296
     66        6           0.000008054    0.000011189    0.000013090
     67        6          -0.000006303    0.000015455   -0.000003307
     68        8           0.000049862   -0.000009135   -0.000029563
     69        7          -0.000025314    0.000020343    0.000018554
     70        1           0.000003327   -0.000003799   -0.000002204
     71        1          -0.000001825   -0.000003862   -0.000004606
     72        1           0.000003316   -0.000001358   -0.000003411
     73        1           0.000006849   -0.000002387   -0.000002774
     74        6          -0.000000169   -0.000016827    0.000001274
     75        1           0.000005549    0.000001382   -0.000006424
     76        1          -0.000001843    0.000000318   -0.000002811
     77        1          -0.000000919    0.000003215    0.000000727
     78        6          -0.000004139    0.000002522   -0.000010475
     79        1           0.000001243    0.000000091    0.000005718
     80        1          -0.000005617   -0.000003028    0.000000470
     81        1           0.000000984   -0.000002692    0.000001854
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000183004 RMS     0.000024877

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000124406 RMS     0.000010289
 Search for a local minimum.
 Step number  48 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48
 DE= -1.68D-07 DEPred=-2.43D-07 R= 6.91D-01
 Trust test= 6.91D-01 RLast= 7.65D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00072   0.00108   0.00138   0.00198   0.00230
     Eigenvalues ---    0.00231   0.00234   0.00240   0.00258   0.00307
     Eigenvalues ---    0.00409   0.00516   0.00540   0.00551   0.00640
     Eigenvalues ---    0.00687   0.00771   0.00828   0.00877   0.00933
     Eigenvalues ---    0.01139   0.01222   0.01263   0.01348   0.01409
     Eigenvalues ---    0.01446   0.01582   0.01727   0.01781   0.01797
     Eigenvalues ---    0.01826   0.01910   0.01932   0.01943   0.02040
     Eigenvalues ---    0.02058   0.02184   0.02241   0.02277   0.02323
     Eigenvalues ---    0.02352   0.02483   0.02601   0.02725   0.03073
     Eigenvalues ---    0.03451   0.03561   0.03830   0.03882   0.03985
     Eigenvalues ---    0.04052   0.04111   0.04251   0.04318   0.04415
     Eigenvalues ---    0.04543   0.04847   0.04930   0.05021   0.05272
     Eigenvalues ---    0.05297   0.05344   0.05382   0.05394   0.05410
     Eigenvalues ---    0.05440   0.05471   0.05509   0.05513   0.05547
     Eigenvalues ---    0.05568   0.05700   0.06063   0.06390   0.06904
     Eigenvalues ---    0.07214   0.07479   0.07650   0.07747   0.08305
     Eigenvalues ---    0.08364   0.08683   0.09162   0.09325   0.09484
     Eigenvalues ---    0.09685   0.09785   0.10149   0.10656   0.10973
     Eigenvalues ---    0.11982   0.12235   0.12447   0.12860   0.12951
     Eigenvalues ---    0.13058   0.13367   0.13557   0.14141   0.14339
     Eigenvalues ---    0.15273   0.15641   0.15852   0.15883   0.15943
     Eigenvalues ---    0.15966   0.15980   0.15990   0.15992   0.15995
     Eigenvalues ---    0.15998   0.15998   0.16001   0.16004   0.16005
     Eigenvalues ---    0.16007   0.16011   0.16015   0.16018   0.16033
     Eigenvalues ---    0.16043   0.16050   0.16074   0.16114   0.16116
     Eigenvalues ---    0.16147   0.16259   0.16262   0.16402   0.16507
     Eigenvalues ---    0.16774   0.18039   0.18195   0.20539   0.20871
     Eigenvalues ---    0.21214   0.21763   0.22157   0.22404   0.22533
     Eigenvalues ---    0.22809   0.22953   0.23187   0.23255   0.23659
     Eigenvalues ---    0.23906   0.24090   0.24458   0.24676   0.25062
     Eigenvalues ---    0.25186   0.25435   0.26042   0.27447   0.27686
     Eigenvalues ---    0.28187   0.28244   0.28382   0.29133   0.30271
     Eigenvalues ---    0.30502   0.31011   0.31537   0.31620   0.31742
     Eigenvalues ---    0.31997   0.33611   0.33635   0.33647   0.33664
     Eigenvalues ---    0.33675   0.33786   0.33815   0.33862   0.33877
     Eigenvalues ---    0.33918   0.33937   0.33959   0.33986   0.34005
     Eigenvalues ---    0.34016   0.34035   0.34059   0.34086   0.34092
     Eigenvalues ---    0.34137   0.34154   0.34180   0.34186   0.34207
     Eigenvalues ---    0.34224   0.34303   0.34335   0.34397   0.34701
     Eigenvalues ---    0.35318   0.35713   0.35779   0.36159   0.36243
     Eigenvalues ---    0.36342   0.36517   0.36577   0.38665   0.39105
     Eigenvalues ---    0.39538   0.41683   0.42330   0.42827   0.43082
     Eigenvalues ---    0.45283   0.45400   0.45534   0.45583   0.45594
     Eigenvalues ---    0.45616   0.45665   0.46402   0.49074   0.49312
     Eigenvalues ---    0.49680   0.49739   0.50745   0.52596   0.54563
     Eigenvalues ---    0.54929   0.55084   0.56679   0.67946   0.73038
     Eigenvalues ---    0.766471000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    48   47   46   45   44
 RFO step:  Lambda=-1.26082885D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.84850   -0.46616   -0.66596    0.13923    0.14440
 Iteration  1 RMS(Cart)=  0.00081010 RMS(Int)=  0.00000038
 Iteration  2 RMS(Cart)=  0.00000048 RMS(Int)=  0.00000018
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00001   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00001   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00001   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00001   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140  -0.00001   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00001   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93043  -0.00002   0.00002   0.00000   0.00002   2.93045
    R2        2.07162   0.00000   0.00002   0.00000   0.00002   2.07165
    R3        2.07046  -0.00002   0.00002  -0.00001   0.00001   2.07047
    R4        2.07667  -0.00002   0.00004  -0.00001   0.00003   2.07670
    R5        2.84160   0.00000   0.00004   0.00000   0.00004   2.84164
    R6        2.06980  -0.00002   0.00005  -0.00001   0.00004   2.06984
    R7        2.07975  -0.00003   0.00006  -0.00001   0.00005   2.07980
    R8        2.62087   0.00000   0.00002   0.00000   0.00001   2.62089
    R9        2.65392   0.00001   0.00001   0.00001   0.00002   2.65394
   R10        2.65840   0.00002  -0.00005   0.00001  -0.00004   2.65837
   R11        2.04222   0.00001  -0.00002   0.00001  -0.00001   2.04220
   R12        2.59524  -0.00002   0.00001  -0.00001   0.00000   2.59524
   R13        1.91174   0.00000   0.00000   0.00000   0.00000   1.91174
   R14        2.53419   0.00001   0.00001   0.00001   0.00002   2.53420
   R15        2.03608   0.00000   0.00000   0.00000   0.00000   2.03609
   R16        4.14712   0.00001   0.00002   0.00019   0.00021   4.14733
   R17        2.91875   0.00000   0.00004   0.00000   0.00003   2.91878
   R18        2.07380   0.00000   0.00001   0.00000   0.00001   2.07380
   R19        2.07757  -0.00001   0.00002   0.00000   0.00002   2.07759
   R20        2.07573  -0.00001  -0.00003   0.00000  -0.00004   2.07569
   R21        2.92663  -0.00001  -0.00003  -0.00001  -0.00004   2.92659
   R22        2.07734   0.00000  -0.00001   0.00000   0.00000   2.07734
   R23        2.07294   0.00001   0.00000   0.00000   0.00000   2.07294
   R24        2.88461  -0.00001  -0.00003   0.00001  -0.00002   2.88459
   R25        2.07117   0.00000  -0.00001   0.00000  -0.00001   2.07117
   R26        2.07730   0.00000   0.00001   0.00000   0.00002   2.07732
   R27        2.40986   0.00000   0.00006   0.00006   0.00012   2.40998
   R28        2.52631  -0.00006   0.00001  -0.00008  -0.00007   2.52624
   R29        4.09511  -0.00002  -0.00205  -0.00172  -0.00378   4.09133
   R30        2.56760   0.00012   0.00153   0.00102   0.00255   2.57015
   R31        2.91598   0.00000  -0.00002  -0.00001  -0.00002   2.91595
   R32        2.07176   0.00000  -0.00001   0.00000  -0.00001   2.07175
   R33        2.07038   0.00000   0.00001   0.00000   0.00001   2.07039
   R34        2.07363   0.00000   0.00002   0.00000   0.00002   2.07365
   R35        2.84638   0.00001   0.00001  -0.00001   0.00000   2.84638
   R36        2.07945   0.00000  -0.00002   0.00000  -0.00002   2.07943
   R37        2.08023   0.00000   0.00000   0.00000   0.00000   2.08023
   R38        2.62023  -0.00001  -0.00003  -0.00001  -0.00004   2.62019
   R39        2.65641   0.00001   0.00007   0.00001   0.00007   2.65648
   R40        2.65630   0.00001   0.00003   0.00000   0.00003   2.65633
   R41        2.03516   0.00000  -0.00001   0.00000  -0.00001   2.03515
   R42        2.59515  -0.00001  -0.00003  -0.00001  -0.00004   2.59511
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91278
   R44        2.53225   0.00000  -0.00001   0.00000   0.00000   2.53225
   R45        2.03596   0.00000   0.00001   0.00000   0.00001   2.03597
   R46        4.06724  -0.00002  -0.00003  -0.00009  -0.00012   4.06712
   R47        2.91818   0.00001   0.00003   0.00001   0.00004   2.91822
   R48        2.07258   0.00000   0.00001   0.00000   0.00000   2.07259
   R49        2.07235   0.00000  -0.00003   0.00000  -0.00003   2.07232
   R50        2.07055   0.00000   0.00001   0.00000   0.00001   2.07056
   R51        2.84448   0.00000   0.00002   0.00000   0.00002   2.84450
   R52        2.07854   0.00000  -0.00001   0.00000  -0.00001   2.07853
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07872
   R54        2.62228   0.00000   0.00000   0.00000   0.00000   2.62228
   R55        2.65351  -0.00001   0.00000  -0.00001  -0.00001   2.65350
   R56        2.64866  -0.00001   0.00005  -0.00001   0.00004   2.64870
   R57        2.03589   0.00000   0.00001   0.00000   0.00001   2.03589
   R58        2.60139   0.00000  -0.00001   0.00000  -0.00001   2.60138
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52697   0.00001  -0.00001   0.00001   0.00000   2.52698
   R61        2.03643   0.00000   0.00000   0.00000   0.00000   2.03643
   R62        4.04495  -0.00003   0.00048  -0.00008   0.00040   4.04535
   R63        3.83433   0.00001   0.00014   0.00002   0.00016   3.83449
   R64        4.50703   0.00001  -0.00075  -0.00061  -0.00136   4.50567
   R65        4.34303  -0.00001  -0.00049   0.00032  -0.00017   4.34286
   R66        1.85978   0.00001   0.00009   0.00005   0.00014   1.85992
   R67        2.08734  -0.00009  -0.00087  -0.00050  -0.00137   2.08597
   R68        2.39619  -0.00001  -0.00003   0.00001  -0.00002   2.39617
   R69        2.58361  -0.00001   0.00009  -0.00003   0.00006   2.58367
   R70        2.86868   0.00001  -0.00010   0.00001  -0.00009   2.86860
   R71        2.76824   0.00001   0.00002   0.00001   0.00004   2.76828
   R72        1.91409   0.00000   0.00000   0.00000  -0.00001   1.91408
   R73        2.90219  -0.00001  -0.00002   0.00000  -0.00002   2.90217
   R74        2.07410   0.00001  -0.00001   0.00000   0.00000   2.07410
   R75        2.06956   0.00000  -0.00001   0.00000  -0.00001   2.06955
   R76        2.41236   0.00000   0.00008  -0.00001   0.00008   2.41244
   R77        2.55042   0.00000  -0.00001  -0.00001  -0.00002   2.55040
   R78        1.91790   0.00000   0.00000   0.00000   0.00001   1.91790
   R79        2.78903  -0.00001   0.00011  -0.00001   0.00010   2.78913
   R80        2.06901   0.00000  -0.00003   0.00000  -0.00003   2.06898
   R81        2.06329   0.00000   0.00002   0.00000   0.00002   2.06331
   R82        2.07183   0.00000  -0.00002   0.00000  -0.00001   2.07181
   R83        2.07205  -0.00001   0.00000   0.00000  -0.00001   2.07204
   R84        2.06856   0.00000   0.00001   0.00000   0.00002   2.06858
   R85        2.06897   0.00000   0.00000   0.00000   0.00000   2.06898
    A1        1.92386   0.00001  -0.00004   0.00000  -0.00004   1.92382
    A2        1.93535  -0.00001   0.00003   0.00001   0.00003   1.93538
    A3        1.95297   0.00000  -0.00001   0.00000  -0.00001   1.95296
    A4        1.88817   0.00000   0.00003  -0.00001   0.00002   1.88819
    A5        1.87366   0.00000   0.00004  -0.00001   0.00003   1.87369
    A6        1.88748   0.00000  -0.00004   0.00000  -0.00004   1.88745
    A7        1.98662   0.00000   0.00016   0.00000   0.00016   1.98678
    A8        1.90941   0.00000   0.00000   0.00000   0.00000   1.90942
    A9        1.90666   0.00000  -0.00002   0.00000  -0.00002   1.90664
   A10        1.88014   0.00000   0.00003  -0.00001   0.00002   1.88016
   A11        1.91974   0.00001  -0.00013   0.00001  -0.00012   1.91962
   A12        1.85666   0.00000  -0.00005   0.00000  -0.00005   1.85661
   A13        2.30412   0.00000   0.00008   0.00001   0.00009   2.30421
   A14        2.14714   0.00000  -0.00006   0.00000  -0.00006   2.14708
   A15        1.83192   0.00000  -0.00002  -0.00001  -0.00003   1.83189
   A16        1.91604   0.00000   0.00002   0.00001   0.00004   1.91608
   A17        2.24274   0.00000   0.00000   0.00000   0.00000   2.24274
   A18        2.12431   0.00000  -0.00003  -0.00002  -0.00004   2.12427
   A19        1.89594   0.00001   0.00000   0.00000   0.00000   1.89594
   A20        2.19114   0.00000  -0.00007   0.00000  -0.00006   2.19108
   A21        2.19603  -0.00001   0.00007   0.00000   0.00007   2.19610
   A22        1.92276   0.00001  -0.00001   0.00002   0.00001   1.92277
   A23        2.16203   0.00000   0.00001  -0.00001   0.00000   2.16204
   A24        2.19838   0.00000   0.00000  -0.00001  -0.00001   2.19837
   A25        1.85811  -0.00001   0.00000  -0.00002  -0.00002   1.85810
   A26        2.21818   0.00000   0.00015   0.00015   0.00029   2.21848
   A27        2.20637   0.00000  -0.00017  -0.00012  -0.00029   2.20609
   A28        1.93573   0.00000  -0.00009  -0.00002  -0.00011   1.93562
   A29        1.93454   0.00000   0.00000   0.00001   0.00000   1.93455
   A30        1.93416   0.00000   0.00005   0.00001   0.00006   1.93422
   A31        1.88924   0.00000  -0.00004   0.00000  -0.00004   1.88920
   A32        1.88561   0.00000   0.00002   0.00001   0.00003   1.88564
   A33        1.88268   0.00000   0.00006   0.00000   0.00006   1.88275
   A34        1.97104   0.00000  -0.00011   0.00001  -0.00010   1.97093
   A35        1.91249   0.00001   0.00003   0.00001   0.00004   1.91253
   A36        1.91158   0.00000  -0.00002  -0.00001  -0.00003   1.91155
   A37        1.90063   0.00000   0.00003  -0.00001   0.00002   1.90065
   A38        1.89035   0.00000   0.00007   0.00000   0.00008   1.89043
   A39        1.87522   0.00000   0.00000  -0.00001   0.00000   1.87522
   A40        1.94202   0.00001   0.00008   0.00003   0.00011   1.94214
   A41        1.94087   0.00000  -0.00003   0.00001  -0.00002   1.94086
   A42        1.90382  -0.00001   0.00006  -0.00001   0.00005   1.90387
   A43        1.90334  -0.00001  -0.00011  -0.00002  -0.00013   1.90321
   A44        1.88783   0.00000   0.00002   0.00001   0.00002   1.88785
   A45        1.88431   0.00000  -0.00003  -0.00001  -0.00004   1.88427
   A46        2.10561  -0.00001   0.00008  -0.00006   0.00002   2.10564
   A47        2.04033   0.00001  -0.00006   0.00005  -0.00001   2.04032
   A48        2.13663   0.00000  -0.00003   0.00001  -0.00001   2.13662
   A49        1.81450   0.00002   0.00036   0.00021   0.00058   1.81508
   A50        1.84249   0.00000  -0.00030  -0.00021  -0.00051   1.84197
   A51        1.93814  -0.00001   0.00003   0.00000   0.00003   1.93816
   A52        1.92241   0.00000   0.00004   0.00000   0.00004   1.92246
   A53        1.94213   0.00000  -0.00005   0.00001  -0.00004   1.94209
   A54        1.88574   0.00000  -0.00004  -0.00001  -0.00005   1.88569
   A55        1.89177   0.00000   0.00001   0.00000   0.00001   1.89179
   A56        1.88175   0.00000   0.00001   0.00000   0.00001   1.88176
   A57        1.97673  -0.00001  -0.00004  -0.00003  -0.00007   1.97666
   A58        1.90125   0.00000   0.00002   0.00000   0.00002   1.90127
   A59        1.90730   0.00001   0.00000   0.00003   0.00003   1.90733
   A60        1.90408   0.00001   0.00006   0.00001   0.00007   1.90415
   A61        1.91294   0.00000  -0.00008   0.00000  -0.00008   1.91286
   A62        1.85773   0.00000   0.00005   0.00000   0.00005   1.85777
   A63        2.32110  -0.00001   0.00005  -0.00003   0.00002   2.32112
   A64        2.13589   0.00002  -0.00004   0.00002  -0.00002   2.13587
   A65        1.82603   0.00000   0.00000   0.00001   0.00001   1.82604
   A66        1.91813   0.00000   0.00001  -0.00001   0.00000   1.91813
   A67        2.24604   0.00001   0.00001   0.00002   0.00003   2.24607
   A68        2.11837  -0.00001  -0.00002  -0.00001  -0.00003   2.11834
   A69        1.90201   0.00000  -0.00003   0.00000  -0.00003   1.90198
   A70        2.18848   0.00000  -0.00001   0.00000  -0.00001   2.18847
   A71        2.19225   0.00000   0.00004   0.00000   0.00005   2.19230
   A72        1.91678   0.00000   0.00004   0.00000   0.00003   1.91681
   A73        2.18679   0.00000  -0.00002   0.00000  -0.00002   2.18676
   A74        2.17887   0.00000  -0.00002   0.00001  -0.00001   2.17885
   A75        1.86180   0.00000  -0.00002   0.00001  -0.00001   1.86179
   A76        2.19956   0.00002  -0.00005   0.00004  -0.00002   2.19954
   A77        2.19629  -0.00002   0.00006  -0.00002   0.00004   2.19632
   A78        1.94208   0.00000   0.00000  -0.00001  -0.00001   1.94207
   A79        1.94044   0.00000  -0.00003   0.00000  -0.00004   1.94041
   A80        1.92539   0.00000  -0.00003   0.00000  -0.00003   1.92536
   A81        1.89013   0.00000   0.00002   0.00000   0.00002   1.89015
   A82        1.87706   0.00000  -0.00001   0.00000  -0.00001   1.87705
   A83        1.88659   0.00000   0.00006   0.00001   0.00006   1.88665
   A84        1.95905   0.00000   0.00003   0.00000   0.00002   1.95908
   A85        1.90787   0.00000   0.00002   0.00000   0.00002   1.90789
   A86        1.90629   0.00000  -0.00004  -0.00001  -0.00005   1.90625
   A87        1.91225   0.00000  -0.00002   0.00001  -0.00001   1.91224
   A88        1.91946   0.00000   0.00001   0.00000   0.00001   1.91947
   A89        1.85603   0.00000   0.00000   0.00000   0.00000   1.85603
   A90        2.30239  -0.00001   0.00001  -0.00003  -0.00002   2.30236
   A91        2.15437   0.00001   0.00000   0.00003   0.00002   2.15440
   A92        1.82641   0.00000   0.00000   0.00000   0.00000   1.82641
   A93        1.91779   0.00000   0.00001   0.00000   0.00000   1.91779
   A94        2.24960   0.00000  -0.00002   0.00000  -0.00002   2.24957
   A95        2.11580   0.00000   0.00002   0.00000   0.00002   2.11582
   A96        1.89978   0.00000   0.00000   0.00000   0.00001   1.89979
   A97        2.19035   0.00000   0.00001   0.00001   0.00002   2.19037
   A98        2.19292   0.00000  -0.00001  -0.00001  -0.00002   2.19290
   A99        1.91547   0.00000   0.00002  -0.00001   0.00002   1.91548
   A100       2.18937   0.00000   0.00002   0.00001   0.00003   2.18940
   A101       2.17808   0.00000  -0.00004   0.00000  -0.00004   2.17804
   A102       1.86530   0.00000  -0.00003   0.00001  -0.00002   1.86527
   A103       2.21205   0.00002  -0.00010   0.00001  -0.00009   2.21196
   A104       2.19079  -0.00002   0.00010   0.00001   0.00011   2.19090
   A105       1.71542  -0.00001  -0.00029  -0.00005  -0.00034   1.71508
   A106       1.56154   0.00000   0.00026  -0.00005   0.00021   1.56176
   A107       1.68624   0.00000  -0.00023  -0.00016  -0.00038   1.68586
   A108       3.00445  -0.00001   0.00021   0.00005   0.00026   3.00471
   A109       1.66416   0.00000   0.00010  -0.00003   0.00007   1.66423
   A110       1.72192   0.00000   0.00012   0.00002   0.00014   1.72207
   A111       1.61393   0.00001   0.00002   0.00011   0.00013   1.61406
   A112       1.48479   0.00001   0.00016   0.00009   0.00025   1.48504
   A113       2.89463   0.00001   0.00022   0.00008   0.00029   2.89492
   A114       2.90479   0.00000  -0.00011   0.00000  -0.00011   2.90468
   A115       1.44837   0.00000  -0.00007   0.00011   0.00004   1.44841
   A116       1.48681   0.00000  -0.00029  -0.00001  -0.00030   1.48651
   A117       1.57621   0.00000   0.00006   0.00007   0.00013   1.57635
   A118       1.43442   0.00000   0.00017  -0.00007   0.00010   1.43453
   A119       1.42905  -0.00001   0.00000  -0.00002  -0.00002   1.42902
   A120       2.10674  -0.00001   0.00017   0.00012   0.00029   2.10703
   A121       2.17826  -0.00001  -0.00022  -0.00010  -0.00032   2.17794
   A122       1.76610   0.00002  -0.00008  -0.00008  -0.00017   1.76594
   A123       2.08030  -0.00002   0.00046   0.00046   0.00092   2.08123
   A124       2.90695  -0.00002  -0.00036  -0.00039  -0.00075   2.90620
   A125       2.13086   0.00002  -0.00013   0.00005  -0.00008   2.13078
   A126       2.11476  -0.00001   0.00013  -0.00004   0.00009   2.11485
   A127       2.03742  -0.00001   0.00000  -0.00001  -0.00001   2.03741
   A128       2.29638  -0.00001   0.00028   0.00017   0.00045   2.29684
   A129       2.14522   0.00002  -0.00016   0.00004  -0.00012   2.14510
   A130       2.07041  -0.00001   0.00010  -0.00002   0.00008   2.07049
   A131       2.06728  -0.00001   0.00005  -0.00002   0.00003   2.06731
   A132       1.98055   0.00000  -0.00002  -0.00001  -0.00003   1.98052
   A133       1.90309   0.00000   0.00000   0.00001   0.00000   1.90309
   A134       1.90244  -0.00001   0.00000  -0.00001  -0.00001   1.90243
   A135       1.82016   0.00000   0.00008   0.00003   0.00010   1.82026
   A136       1.94901   0.00001  -0.00005   0.00000  -0.00004   1.94897
   A137       1.90577   0.00000  -0.00001  -0.00001  -0.00002   1.90576
   A138       2.09895  -0.00002   0.00003  -0.00001   0.00002   2.09897
   A139       2.03094   0.00002   0.00005   0.00001   0.00006   2.03100
   A140       2.15118   0.00000  -0.00009   0.00001  -0.00008   2.15110
   A141       2.06978   0.00005  -0.00011  -0.00002  -0.00012   2.06966
   A142       2.06339   0.00001   0.00004   0.00000   0.00004   2.06344
   A143       2.16109  -0.00002  -0.00010  -0.00003  -0.00012   2.16096
   A144       2.03926   0.00001   0.00001  -0.00002  -0.00001   2.03925
   A145       1.91469   0.00000  -0.00012  -0.00001  -0.00013   1.91455
   A146       1.89485   0.00000   0.00000   0.00001   0.00001   1.89486
   A147       1.90493   0.00000   0.00003  -0.00003   0.00000   1.90493
   A148       1.91092   0.00001  -0.00004   0.00002  -0.00002   1.91089
   A149       1.93002   0.00000   0.00008  -0.00003   0.00005   1.93007
   A150       1.90805   0.00000   0.00006   0.00004   0.00010   1.90815
   A151       1.90445   0.00000   0.00016  -0.00003   0.00013   1.90458
   A152       1.90405   0.00001  -0.00002   0.00002   0.00000   1.90405
   A153       1.97697   0.00000  -0.00005   0.00001  -0.00005   1.97692
   A154       1.87650   0.00000  -0.00003   0.00000  -0.00003   1.87646
   A155       1.89330   0.00000  -0.00002   0.00001  -0.00001   1.89329
   A156       1.90598   0.00000  -0.00002  -0.00001  -0.00004   1.90595
    D1        3.11089   0.00000   0.00018  -0.00003   0.00015   3.11104
    D2        1.00684   0.00000   0.00004  -0.00002   0.00002   1.00685
    D3       -1.01911   0.00000   0.00011  -0.00002   0.00009  -1.01902
    D4        1.02041   0.00000   0.00016  -0.00003   0.00013   1.02054
    D5       -1.08364   0.00000   0.00002  -0.00002   0.00000  -1.08365
    D6       -3.10959   0.00000   0.00009  -0.00002   0.00007  -3.10952
    D7       -1.08863   0.00000   0.00020  -0.00004   0.00016  -1.08846
    D8        3.09051   0.00000   0.00006  -0.00003   0.00003   3.09054
    D9        1.06456   0.00000   0.00013  -0.00003   0.00010   1.06466
   D10       -2.11823   0.00000  -0.00030   0.00008  -0.00021  -2.11844
   D11        1.02486   0.00000   0.00024   0.00001   0.00024   1.02510
   D12        0.00217   0.00000  -0.00017   0.00008  -0.00009   0.00208
   D13       -3.13793   0.00000   0.00036   0.00001   0.00036  -3.13756
   D14        2.01890   0.00000  -0.00029   0.00008  -0.00021   2.01869
   D15       -1.12120   0.00000   0.00025   0.00000   0.00025  -1.12095
   D16       -3.13856   0.00000   0.00022   0.00000   0.00022  -3.13834
   D17        0.01730   0.00000   0.00069  -0.00006   0.00063   0.01793
   D18        0.00174   0.00000  -0.00024   0.00007  -0.00018   0.00156
   D19       -3.12559   0.00000   0.00023   0.00000   0.00023  -3.12536
   D20        3.13906   0.00000  -0.00031   0.00003  -0.00028   3.13878
   D21       -0.01497   0.00000  -0.00002  -0.00003  -0.00005  -0.01502
   D22       -0.00138   0.00000   0.00010  -0.00003   0.00007  -0.00131
   D23        3.12777   0.00000   0.00039  -0.00009   0.00031   3.12808
   D24       -0.00146   0.00000   0.00030  -0.00008   0.00022  -0.00124
   D25        3.10730   0.00000  -0.00025   0.00002  -0.00023   3.10707
   D26        3.12701   0.00000  -0.00013  -0.00002  -0.00016   3.12685
   D27       -0.04742   0.00000  -0.00069   0.00008  -0.00061  -0.04803
   D28        0.00052   0.00000   0.00009  -0.00002   0.00007   0.00059
   D29       -3.13637   0.00000   0.00010   0.00004   0.00014  -3.13624
   D30       -3.12858   0.00000  -0.00021   0.00004  -0.00017  -3.12875
   D31        0.01770   0.00001  -0.00020   0.00010  -0.00010   0.01760
   D32        0.00056   0.00000  -0.00024   0.00006  -0.00017   0.00039
   D33       -3.10849   0.00001   0.00031  -0.00005   0.00026  -3.10823
   D34        3.13733   0.00000  -0.00024   0.00000  -0.00024   3.13709
   D35        0.02829   0.00000   0.00030  -0.00011   0.00019   0.02847
   D36        1.94692   0.00000   0.00062   0.00009   0.00071   1.94763
   D37       -2.61409   0.00000   0.00078   0.00010   0.00088  -2.61321
   D38        0.31534   0.00000   0.00067   0.00001   0.00068   0.31601
   D39       -2.33167   0.00000   0.00031   0.00065   0.00096  -2.33071
   D40       -1.12852   0.00000   0.00051   0.00009   0.00060  -1.12792
   D41       -1.23380   0.00000  -0.00004   0.00022   0.00018  -1.23362
   D42        0.48837   0.00000   0.00012   0.00023   0.00035   0.48873
   D43       -2.86539   0.00000   0.00002   0.00013   0.00015  -2.86524
   D44        0.77080   0.00000  -0.00035   0.00078   0.00043   0.77123
   D45        1.97394   0.00000  -0.00015   0.00021   0.00007   1.97401
   D46        1.06389   0.00000   0.00023  -0.00001   0.00022   1.06411
   D47       -3.09728   0.00000   0.00021  -0.00001   0.00020  -3.09707
   D48       -1.04435   0.00000   0.00022  -0.00001   0.00021  -1.04414
   D49       -1.03521   0.00000   0.00034   0.00000   0.00034  -1.03486
   D50        1.08681   0.00000   0.00032   0.00001   0.00033   1.08714
   D51        3.13974   0.00000   0.00033   0.00000   0.00033   3.14007
   D52       -3.12503   0.00000   0.00023  -0.00001   0.00022  -3.12480
   D53       -1.00301   0.00000   0.00022  -0.00001   0.00021  -1.00280
   D54        1.04992   0.00000   0.00023  -0.00001   0.00021   1.05013
   D55       -1.08474   0.00000   0.00010   0.00004   0.00014  -1.08460
   D56        1.04085   0.00000   0.00000   0.00004   0.00004   1.04089
   D57        3.11713   0.00000  -0.00002   0.00003   0.00001   3.11714
   D58        3.06975   0.00000   0.00011   0.00003   0.00014   3.06989
   D59       -1.08785   0.00000   0.00001   0.00003   0.00004  -1.08781
   D60        0.98843   0.00000   0.00000   0.00001   0.00001   0.98844
   D61        1.03554   0.00000   0.00005   0.00004   0.00009   1.03564
   D62       -3.12205   0.00000  -0.00005   0.00004  -0.00001  -3.12206
   D63       -1.04578   0.00000  -0.00006   0.00002  -0.00004  -1.04581
   D64       -0.87804   0.00000   0.00065   0.00017   0.00082  -0.87722
   D65        2.22687   0.00000   0.00056   0.00033   0.00090   2.22777
   D66       -3.02530   0.00000   0.00071   0.00015   0.00086  -3.02444
   D67        0.07961   0.00000   0.00062   0.00032   0.00094   0.08055
   D68        1.21279   0.00000   0.00079   0.00018   0.00097   1.21376
   D69       -1.96548   0.00000   0.00070   0.00034   0.00105  -1.96443
   D70        2.98756  -0.00001   0.00030   0.00000   0.00030   2.98786
   D71       -0.11528  -0.00001   0.00040  -0.00018   0.00022  -0.11507
   D72       -2.99482   0.00000  -0.00018  -0.00006  -0.00023  -2.99505
   D73        0.10939   0.00000  -0.00026   0.00011  -0.00015   0.10924
   D74       -0.00124   0.00002  -0.00052   0.00018  -0.00034  -0.00158
   D75        0.22591   0.00000  -0.00080  -0.00043  -0.00123   0.22468
   D76       -1.04726   0.00000  -0.00005  -0.00005  -0.00010  -1.04736
   D77        1.07495   0.00000   0.00001  -0.00007  -0.00005   1.07490
   D78        3.09798   0.00000   0.00008  -0.00005   0.00003   3.09801
   D79       -3.13555   0.00000  -0.00005  -0.00004  -0.00009  -3.13564
   D80       -1.01334   0.00000   0.00001  -0.00005  -0.00003  -1.01337
   D81        1.00969   0.00000   0.00008  -0.00004   0.00005   1.00973
   D82        1.06176   0.00000  -0.00005  -0.00004  -0.00010   1.06166
   D83       -3.09921   0.00000   0.00001  -0.00006  -0.00005  -3.09926
   D84       -1.07619   0.00000   0.00008  -0.00004   0.00003  -1.07615
   D85       -0.08120  -0.00001   0.00045   0.00014   0.00059  -0.08061
   D86        3.03727  -0.00001   0.00074   0.00017   0.00091   3.03818
   D87       -2.20182  -0.00001   0.00040   0.00016   0.00057  -2.20125
   D88        0.91665   0.00000   0.00070   0.00019   0.00088   0.91753
   D89        2.05362  -0.00001   0.00036   0.00016   0.00052   2.05414
   D90       -1.11110   0.00000   0.00065   0.00018   0.00084  -1.11027
   D91        3.11694   0.00000   0.00030   0.00004   0.00033   3.11728
   D92        0.01396   0.00001   0.00042   0.00002   0.00044   0.01440
   D93       -0.00447   0.00000   0.00004   0.00002   0.00006  -0.00441
   D94       -3.10745   0.00000   0.00016   0.00000   0.00016  -3.10729
   D95       -3.11743   0.00000  -0.00022  -0.00004  -0.00026  -3.11769
   D96       -0.00635  -0.00001   0.00004  -0.00011  -0.00008  -0.00643
   D97        0.00668   0.00000   0.00001  -0.00002  -0.00002   0.00666
   D98        3.11776   0.00000   0.00026  -0.00010   0.00016   3.11792
   D99        0.00062   0.00000  -0.00007   0.00000  -0.00007   0.00054
   D100      -2.91034   0.00000  -0.00001  -0.00010  -0.00011  -2.91045
   D101       3.10691   0.00000  -0.00018   0.00001  -0.00017   3.10674
   D102       0.19596   0.00000  -0.00012  -0.00008  -0.00021   0.19575
   D103      -0.00665   0.00000  -0.00005   0.00002  -0.00003  -0.00668
   D104       3.09480   0.00000  -0.00011  -0.00001  -0.00012   3.09468
   D105      -3.11764   0.00001  -0.00031   0.00010  -0.00021  -3.11785
   D106      -0.01620   0.00001  -0.00037   0.00007  -0.00030  -0.01649
   D107       0.00370   0.00000   0.00008  -0.00001   0.00006   0.00376
   D108       2.91521   0.00000   0.00000   0.00009   0.00009   2.91530
   D109      -3.09797   0.00000   0.00013   0.00002   0.00015  -3.09782
   D110      -0.18646   0.00000   0.00006   0.00012   0.00018  -0.18628
   D111      -0.47752   0.00000   0.00003  -0.00020  -0.00016  -0.47768
   D112      -2.06104   0.00000  -0.00021  -0.00014  -0.00035  -2.06139
   D113       1.21639   0.00000  -0.00021  -0.00034  -0.00055   1.21584
   D114       2.78891   0.00000  -0.00015  -0.00027  -0.00042   2.78849
   D115       2.39148  -0.00001   0.00025  -0.00027  -0.00002   2.39146
   D116       2.93760   0.00000   0.00011  -0.00031  -0.00020   2.93740
   D117       1.35408   0.00000  -0.00012  -0.00026  -0.00038   1.35369
   D118      -1.65168   0.00000  -0.00013  -0.00046  -0.00059  -1.65227
   D119      -0.07916   0.00000  -0.00006  -0.00039  -0.00045  -0.07962
   D120      -0.47659  -0.00001   0.00034  -0.00038  -0.00005  -0.47664
   D121      -1.05673   0.00000   0.00000   0.00000   0.00000  -1.05674
   D122       3.10094   0.00000   0.00000  -0.00001  -0.00002   3.10092
   D123       1.07682   0.00000   0.00001  -0.00001   0.00000   1.07682
   D124       1.05174   0.00000   0.00000   0.00000  -0.00001   1.05174
   D125      -1.07376   0.00000  -0.00001  -0.00002  -0.00002  -1.07379
   D126      -3.09788   0.00000   0.00000  -0.00001  -0.00001  -3.09789
   D127      -3.13865   0.00000   0.00003   0.00000   0.00003  -3.13862
   D128       1.01903   0.00000   0.00002  -0.00001   0.00001   1.01904
   D129      -1.00509   0.00000   0.00003   0.00000   0.00003  -1.00506
   D130       0.37182   0.00000   0.00106   0.00026   0.00132   0.37314
   D131      -2.76213   0.00000   0.00120   0.00022   0.00143  -2.76071
   D132       2.49483   0.00000   0.00108   0.00027   0.00135   2.49618
   D133      -0.63913   0.00000   0.00123   0.00023   0.00146  -0.63767
   D134      -1.75424   0.00000   0.00108   0.00027   0.00135  -1.75289
   D135       1.39499   0.00000   0.00123   0.00024   0.00146   1.39645
   D136      -3.12762   0.00000   0.00000  -0.00001  -0.00001  -3.12763
   D137       0.01187   0.00000   0.00029  -0.00009   0.00021   0.01207
   D138       0.00738   0.00000  -0.00013   0.00003  -0.00010   0.00728
   D139      -3.13632   0.00000   0.00017  -0.00005   0.00011  -3.13620
   D140       3.12829   0.00000   0.00002   0.00001   0.00002   3.12831
   D141       0.00302   0.00000  -0.00008  -0.00003  -0.00011   0.00290
   D142      -0.00743   0.00000   0.00013  -0.00002   0.00011  -0.00732
   D143      -3.13270   0.00000   0.00003  -0.00006  -0.00003  -3.13273
   D144      -0.00465   0.00000   0.00008  -0.00002   0.00006  -0.00459
   D145       2.95845   0.00001  -0.00004   0.00008   0.00004   2.95850
   D146       3.13885   0.00000  -0.00019   0.00005  -0.00013   3.13872
   D147      -0.18123   0.00000  -0.00031   0.00016  -0.00015  -0.18138
   D148       0.00489   0.00000  -0.00008   0.00001  -0.00007   0.00481
   D149      -3.11300   0.00000  -0.00020   0.00003  -0.00018  -3.11318
   D150       3.13013   0.00000   0.00002   0.00004   0.00006   3.13019
   D151       0.01224   0.00000  -0.00011   0.00006  -0.00004   0.01220
   D152      -0.00019   0.00000   0.00000   0.00001   0.00001  -0.00018
   D153      -2.96608  -0.00001   0.00015  -0.00010   0.00005  -2.96603
   D154       3.11788   0.00000   0.00012  -0.00001   0.00011   3.11799
   D155       0.15200  -0.00001   0.00027  -0.00011   0.00015   0.15215
   D156      -1.44192   0.00000   0.00020  -0.00028  -0.00008  -1.44201
   D157       0.27376  -0.00001  -0.00006  -0.00034  -0.00039   0.27336
   D158       2.80068   0.00000   0.00031   0.00067   0.00097   2.80165
   D159       1.73807   0.00000   0.00008  -0.00022  -0.00015   1.73792
   D160      -3.10720  -0.00001   0.00012  -0.00026  -0.00014  -3.10734
   D161       1.48938   0.00000   0.00004  -0.00016  -0.00012   1.48925
   D162      -3.07813  -0.00001  -0.00022  -0.00021  -0.00043  -3.07856
   D163      -0.55121   0.00001   0.00015   0.00079   0.00094  -0.55028
   D164      -1.61382   0.00000  -0.00008  -0.00010  -0.00018  -1.61400
   D165      -0.17590   0.00000  -0.00004  -0.00013  -0.00018  -0.17608
   D166       1.75354  -0.00001  -0.00083  -0.00055  -0.00138   1.75216
   D167      -0.57566  -0.00001  -0.00061  -0.00043  -0.00104  -0.57670
   D168       0.03195   0.00000  -0.00052  -0.00050  -0.00103   0.03092
   D169      -2.29726   0.00000  -0.00030  -0.00039  -0.00069  -2.29794
   D170      -2.50234  -0.00002  -0.00089  -0.00149  -0.00238  -2.50473
   D171       1.45163  -0.00001  -0.00067  -0.00137  -0.00204   1.44959
   D172      -1.45299  -0.00002  -0.00069  -0.00060  -0.00129  -1.45428
   D173       2.50099  -0.00001  -0.00046  -0.00048  -0.00095   2.50004
   D174      -2.87995  -0.00001  -0.00068  -0.00057  -0.00125  -2.88120
   D175       1.07403  -0.00001  -0.00046  -0.00045  -0.00091   1.07312
   D176       1.00856   0.00000   0.00024  -0.00049  -0.00024   1.00831
   D177       3.02754   0.00000  -0.00012   0.00006  -0.00006   3.02748
   D178       1.29315   0.00000  -0.00023   0.00006  -0.00017   1.29299
   D179      -1.64202   0.00000  -0.00011   0.00016   0.00006  -1.64197
   D180      -0.20977   0.00000   0.00006   0.00009   0.00014  -0.20963
   D181       2.08809   0.00000  -0.00023  -0.00012  -0.00035   2.08774
   D182      -0.78261   0.00000  -0.00043  -0.00005  -0.00049  -0.78310
   D183      -2.64151   0.00000   0.00000  -0.00017  -0.00017  -2.64168
   D184       0.41318   0.00000   0.00000   0.00004   0.00003   0.41321
   D185      -1.18273   0.00000  -0.00004  -0.00005  -0.00009  -1.18282
   D186      -2.39107   0.00000   0.00055   0.00006   0.00061  -2.39046
   D187       0.09747  -0.00001   0.00028  -0.00007   0.00021   0.09769
   D188       2.11249  -0.00001   0.00064   0.00046   0.00110   2.11358
   D189      -0.33949   0.00000   0.00072   0.00048   0.00120  -0.33829
   D190       0.90573  -0.00002  -0.00003  -0.00014  -0.00017   0.90557
   D191      -2.25510  -0.00001   0.00007   0.00010   0.00017  -2.25493
   D192       0.07606   0.00001   0.00008   0.00014   0.00022   0.07627
   D193      -3.09125   0.00001  -0.00038   0.00012  -0.00026  -3.09152
   D194      -3.04710   0.00000  -0.00002  -0.00009  -0.00011  -3.04721
   D195       0.06877   0.00000  -0.00048  -0.00011  -0.00058   0.06819
   D196      -1.14894   0.00000  -0.00018  -0.00011  -0.00029  -1.14924
   D197       0.89653   0.00000  -0.00015  -0.00011  -0.00026   0.89627
   D198       3.02334   0.00000  -0.00023  -0.00011  -0.00033   3.02301
   D199       1.97439   0.00000  -0.00009   0.00011   0.00002   1.97442
   D200      -2.26332   0.00000  -0.00005   0.00011   0.00006  -2.26326
   D201      -0.13651   0.00000  -0.00014   0.00012  -0.00002  -0.13652
   D202      -1.44456   0.00000   0.00004   0.00010   0.00014  -1.44443
   D203       0.57573   0.00000   0.00012   0.00013   0.00025   0.57598
   D204       2.65478   0.00000   0.00011   0.00012   0.00022   2.65500
   D205       1.72270   0.00001   0.00050   0.00012   0.00062   1.72332
   D206      -2.54019   0.00000   0.00058   0.00015   0.00073  -2.53946
   D207      -0.46114   0.00000   0.00057   0.00014   0.00070  -0.46044
   D208       0.69367   0.00000   0.00014  -0.00019  -0.00005   0.69362
   D209      -2.51561   0.00000   0.00008  -0.00010  -0.00002  -2.51562
   D210      -1.37506   0.00000   0.00010  -0.00020  -0.00010  -1.37516
   D211       1.69884   0.00000   0.00005  -0.00012  -0.00007   1.69878
   D212       2.85231   0.00000   0.00009  -0.00021  -0.00012   2.85219
   D213      -0.35697   0.00000   0.00004  -0.00013  -0.00009  -0.35706
   D214       1.01290  -0.00001  -0.00004   0.00004   0.00000   1.01289
   D215      -2.05617  -0.00001   0.00001  -0.00005  -0.00004  -2.05621
   D216       0.00105   0.00000  -0.00031  -0.00014  -0.00044   0.00061
   D217      -2.92292   0.00001  -0.00008   0.00011   0.00003  -2.92289
   D218       3.07273  -0.00001  -0.00035  -0.00005  -0.00040   3.07233
   D219       0.14876   0.00000  -0.00013   0.00020   0.00007   0.14883
   D220      -2.44341  -0.00001  -0.00155  -0.00028  -0.00183  -2.44524
   D221      -0.35582  -0.00001  -0.00167  -0.00025  -0.00193  -0.35775
   D222       1.72260   0.00000  -0.00159  -0.00022  -0.00181   1.72080
   D223       0.91304   0.00000  -0.00133  -0.00003  -0.00137   0.91167
   D224       3.00062   0.00000  -0.00146  -0.00001  -0.00147   2.99916
   D225      -1.20414   0.00000  -0.00137   0.00003  -0.00134  -1.20548
         Item               Value     Threshold  Converged?
 Maximum Force            0.000125     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.004959     0.001800     NO 
 RMS     Displacement     0.000810     0.001200     YES
 Predicted change in Energy=-3.089769D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.070349    2.540625    3.560273
      2          6           0       -3.328654    1.182222    3.657135
      3          6           0       -2.080644    1.110376    2.821364
      4          6           0       -1.697368    0.258096    1.796547
      5          7           0       -1.001963    1.995773    2.979082
      6          6           0       -0.024968    1.662739    2.073188
      7          7           0       -0.414818    0.610678    1.338625
      8          6           0       -5.230189    0.898670    0.148273
      9          6           0       -5.870803   -0.172171   -0.761978
     10          6           0       -5.242940   -1.575661   -0.576429
     11          6           0       -3.762425   -1.573678   -0.948115
     12          8           0       -3.371873   -1.084905   -2.059411
     13          8           0       -2.910591   -2.063617   -0.041776
     14          6           0       -2.269568    4.238071   -2.983434
     15          6           0       -0.999295    3.836246   -3.761871
     16          6           0       -0.196609    2.761840   -3.076229
     17          6           0       -0.324547    2.121313   -1.853174
     18          7           0        0.928379    2.166322   -3.672795
     19          6           0        1.427980    1.207650   -2.825904
     20          7           0        0.689200    1.158271   -1.709041
     21          6           0        4.685977    4.005740    1.484653
     22          6           0        5.165386    2.626278    1.986626
     23          6           0        4.196279    1.526734    1.643709
     24          6           0        3.203051    1.433935    0.679102
     25          7           0        4.141934    0.301914    2.328226
     26          6           0        3.141486   -0.469330    1.781147
     27          7           0        2.556275    0.194439    0.778604
     28         30           0        0.757229   -0.394933   -0.220747
     29          1           0       -4.984104    2.517550    4.165519
     30          1           0       -4.351900    2.758990    2.524182
     31          1           0       -3.453411    3.371670    3.929638
     32          1           0       -3.996651    0.378714    3.328706
     33          1           0       -3.088188    0.974586    4.710866
     34          1           0       -2.251844   -0.559787    1.358928
     35          1           0       -0.959260    2.758297    3.642536
     36          1           0        0.914767    2.182404    1.985178
     37          1           0       -4.160885    1.010649   -0.071635
     38          1           0       -5.336915    0.625937    1.207959
     39          1           0       -5.711730    1.874893    0.001270
     40          1           0       -6.948735   -0.234193   -0.555501
     41          1           0       -5.753586    0.121747   -1.812303
     42          1           0       -5.351878   -1.925225    0.456617
     43          1           0       -5.760021   -2.290295   -1.232415
     44          1           0       -2.939407    3.380026   -2.853058
     45          1           0       -2.816159    5.015488   -3.528600
     46          1           0       -2.019640    4.635992   -1.991809
     47          1           0       -1.290357    3.484618   -4.763119
     48          1           0       -0.369976    4.726360   -3.914968
     49          1           0       -1.078248    2.259527   -1.096425
     50          1           0        1.292410    2.389567   -4.590507
     51          1           0        2.263607    0.562209   -3.040145
     52          1           0        4.573037    4.014964    0.393757
     53          1           0        3.722725    4.277547    1.932822
     54          1           0        5.414575    4.780591    1.747888
     55          1           0        5.307693    2.665120    3.076601
     56          1           0        6.152195    2.406165    1.553292
     57          1           0        2.912280    2.157589   -0.064171
     58          1           0        4.732354    0.036823    3.106581
     59          1           0        2.852838   -1.450715    2.120052
     60          8           0       -0.791644   -1.395671   -1.067428
     61          1           0       -1.213362   -1.064325   -1.892695
     62          1           0       -1.668717   -1.779822   -0.518204
     63          6           0        2.983273   -2.517388   -1.579798
     64          8           0        2.281079   -1.469249   -1.706885
     65          7           0        2.442922   -3.710354   -1.187188
     66          6           0        1.006433   -3.901115   -0.972537
     67          6           0        0.528013   -3.438928    0.411684
     68          8           0        0.995222   -2.369919    0.930012
     69          7           0       -0.449050   -4.173141    0.984165
     70          1           0        0.451957   -3.267301   -1.676445
     71          1           0        0.754505   -4.950679   -1.157791
     72          1           0        3.059350   -4.503957   -1.060098
     73          1           0       -0.806169   -4.976102    0.476461
     74          6           0       -1.213820   -3.740540    2.170078
     75          1           0       -1.372841   -4.593446    2.837893
     76          1           0       -0.640760   -2.971381    2.691753
     77          1           0       -2.173297   -3.320806    1.845697
     78          6           0        4.470642   -2.508247   -1.883051
     79          1           0        4.617757   -2.325727   -2.954174
     80          1           0        4.941648   -1.682433   -1.340433
     81          1           0        4.971736   -3.445109   -1.618662
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0969127      0.0726847      0.0659902
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.1740495004 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122066.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000076    0.000013   -0.000048 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581754     A.U. after    8 cycles
            NFock=  8  Conv=0.36D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122066.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000000080    0.000033740    0.000008352
      3        6          -0.000011424    0.000015229    0.000015983
      4        6           0.000058272   -0.000011898   -0.000006663
      5        7          -0.000027240    0.000006635   -0.000007884
      6        6           0.000044778   -0.000021822    0.000013420
      7        7          -0.000062503   -0.000008643    0.000017238
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000009941    0.000000212    0.000021365
     10        6           0.000012033   -0.000012253   -0.000007504
     11        6          -0.000083678    0.000041389    0.000075444
     12        8          -0.000011888    0.000006846   -0.000011518
     13        8           0.000148535    0.000011363   -0.000008972
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000000370   -0.000005520    0.000016800
     16        6          -0.000013173    0.000000296   -0.000033920
     17        6          -0.000001884   -0.000020111    0.000003790
     18        7           0.000005611   -0.000001966    0.000027077
     19        6          -0.000027112    0.000008105   -0.000008686
     20        7           0.000044725    0.000027691    0.000012834
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000001101    0.000004039   -0.000004695
     23        6          -0.000003997    0.000012101    0.000019197
     24        6          -0.000013567    0.000015333   -0.000016986
     25        7           0.000000751   -0.000015601   -0.000013391
     26        6          -0.000010713    0.000016356   -0.000013228
     27        7           0.000083755   -0.000029027    0.000037128
     28       30          -0.000113398   -0.000072644   -0.000047287
     29        1          -0.000004560   -0.000008211   -0.000004329
     30        1          -0.000013424    0.000012024    0.000020658
     31        1           0.000011112    0.000025480   -0.000012731
     32        1          -0.000013464   -0.000032146    0.000012741
     33        1           0.000024158   -0.000011419   -0.000033655
     34        1           0.000002082    0.000019323   -0.000000269
     35        1          -0.000002517   -0.000009672   -0.000009901
     36        1          -0.000001541   -0.000001618    0.000001444
     37        1          -0.000002359   -0.000001001    0.000001705
     38        1           0.000005225   -0.000004484   -0.000007932
     39        1           0.000003684   -0.000003280    0.000003160
     40        1           0.000001343    0.000005240   -0.000005968
     41        1           0.000002573   -0.000003241   -0.000003439
     42        1          -0.000000664    0.000001408   -0.000001689
     43        1           0.000003781   -0.000005859   -0.000000918
     44        1          -0.000003996    0.000002013   -0.000003100
     45        1          -0.000001499   -0.000001223    0.000001567
     46        1           0.000007207    0.000002129   -0.000007941
     47        1          -0.000002644   -0.000005568   -0.000003017
     48        1           0.000004742    0.000002989   -0.000002531
     49        1          -0.000003209    0.000003387    0.000006703
     50        1           0.000005180    0.000014558   -0.000009378
     51        1          -0.000002138   -0.000006849    0.000007898
     52        1          -0.000000685    0.000001401    0.000002588
     53        1           0.000006040   -0.000001901    0.000002753
     54        1           0.000003467    0.000005893   -0.000001687
     55        1           0.000001232   -0.000002971   -0.000000265
     56        1          -0.000000396    0.000002682    0.000000285
     57        1           0.000006859    0.000001348    0.000006831
     58        1          -0.000001390    0.000001527   -0.000002556
     59        1           0.000010774   -0.000000049    0.000012737
     60        8           0.000067519    0.000063492    0.000006166
     61        1           0.000035263   -0.000029729    0.000037783
     62        1          -0.000149443   -0.000056195   -0.000073503
     63        6           0.000043373    0.000078732    0.000014574
     64        8          -0.000046899   -0.000022013   -0.000001157
     65        7           0.000003073   -0.000052641    0.000000735
     66        6          -0.000004032    0.000018516    0.000010484
     67        6          -0.000009078   -0.000000461    0.000024526
     68        8           0.000057450    0.000019114   -0.000057515
     69        7          -0.000004474    0.000011222    0.000028037
     70        1           0.000004690   -0.000004114    0.000000836
     71        1          -0.000001978   -0.000001721   -0.000006563
     72        1           0.000000389   -0.000003656    0.000003124
     73        1           0.000002026   -0.000000967   -0.000000645
     74        6          -0.000026129   -0.000021642   -0.000009178
     75        1           0.000011341    0.000007679   -0.000002853
     76        1           0.000000942    0.000002248   -0.000006683
     77        1           0.000003945    0.000014133   -0.000003282
     78        6          -0.000025924   -0.000009952   -0.000015827
     79        1           0.000006871    0.000000993    0.000002279
     80        1          -0.000001993    0.000001538   -0.000001348
     81        1           0.000001580   -0.000004323    0.000000048
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000149443 RMS     0.000026104

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000102829 RMS     0.000011950
 Search for a local minimum.
 Step number  49 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
 DE= -2.43D-07 DEPred=-3.09D-07 R= 7.88D-01
 Trust test= 7.88D-01 RLast= 1.01D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00072   0.00107   0.00147   0.00189   0.00226
     Eigenvalues ---    0.00231   0.00231   0.00234   0.00242   0.00305
     Eigenvalues ---    0.00405   0.00481   0.00533   0.00550   0.00609
     Eigenvalues ---    0.00687   0.00765   0.00821   0.00870   0.00926
     Eigenvalues ---    0.01087   0.01167   0.01263   0.01285   0.01385
     Eigenvalues ---    0.01428   0.01597   0.01709   0.01786   0.01792
     Eigenvalues ---    0.01820   0.01911   0.01932   0.02005   0.02045
     Eigenvalues ---    0.02064   0.02179   0.02244   0.02277   0.02337
     Eigenvalues ---    0.02395   0.02495   0.02510   0.02737   0.03069
     Eigenvalues ---    0.03459   0.03540   0.03801   0.03883   0.03964
     Eigenvalues ---    0.04051   0.04116   0.04248   0.04262   0.04404
     Eigenvalues ---    0.04545   0.04843   0.04941   0.05059   0.05257
     Eigenvalues ---    0.05290   0.05337   0.05382   0.05394   0.05412
     Eigenvalues ---    0.05454   0.05473   0.05509   0.05513   0.05545
     Eigenvalues ---    0.05589   0.05666   0.06070   0.06393   0.06907
     Eigenvalues ---    0.07206   0.07478   0.07670   0.07777   0.08304
     Eigenvalues ---    0.08339   0.08707   0.09168   0.09324   0.09483
     Eigenvalues ---    0.09696   0.09750   0.10135   0.10619   0.11012
     Eigenvalues ---    0.11956   0.12215   0.12412   0.12795   0.12933
     Eigenvalues ---    0.13040   0.13343   0.13417   0.13990   0.14339
     Eigenvalues ---    0.14949   0.15769   0.15865   0.15885   0.15921
     Eigenvalues ---    0.15967   0.15982   0.15990   0.15994   0.15995
     Eigenvalues ---    0.15997   0.16000   0.16001   0.16004   0.16006
     Eigenvalues ---    0.16007   0.16010   0.16016   0.16021   0.16032
     Eigenvalues ---    0.16050   0.16054   0.16081   0.16109   0.16134
     Eigenvalues ---    0.16167   0.16242   0.16280   0.16402   0.16518
     Eigenvalues ---    0.16594   0.17550   0.18083   0.20529   0.21069
     Eigenvalues ---    0.21170   0.21560   0.22206   0.22400   0.22510
     Eigenvalues ---    0.22800   0.22956   0.23195   0.23258   0.23654
     Eigenvalues ---    0.23904   0.24101   0.24370   0.24533   0.25065
     Eigenvalues ---    0.25142   0.25457   0.26134   0.27422   0.27688
     Eigenvalues ---    0.28178   0.28239   0.28385   0.29062   0.30433
     Eigenvalues ---    0.30477   0.31047   0.31535   0.31699   0.31977
     Eigenvalues ---    0.32375   0.33586   0.33626   0.33637   0.33663
     Eigenvalues ---    0.33673   0.33786   0.33815   0.33863   0.33906
     Eigenvalues ---    0.33918   0.33935   0.33945   0.33985   0.34006
     Eigenvalues ---    0.34013   0.34035   0.34064   0.34087   0.34093
     Eigenvalues ---    0.34139   0.34166   0.34181   0.34199   0.34207
     Eigenvalues ---    0.34256   0.34303   0.34369   0.34493   0.34862
     Eigenvalues ---    0.35435   0.35719   0.35804   0.36161   0.36247
     Eigenvalues ---    0.36342   0.36522   0.36591   0.38744   0.39103
     Eigenvalues ---    0.39618   0.41919   0.42437   0.42792   0.43047
     Eigenvalues ---    0.45262   0.45355   0.45501   0.45583   0.45600
     Eigenvalues ---    0.45646   0.45738   0.46494   0.48985   0.49269
     Eigenvalues ---    0.49565   0.49839   0.52184   0.52716   0.54763
     Eigenvalues ---    0.54884   0.55088   0.56514   0.68769   0.73252
     Eigenvalues ---    0.767501000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    49   48   47   46   45
 RFO step:  Lambda=-1.47116399D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    2.12676   -0.90151   -0.61870    0.24552    0.14793
 Iteration  1 RMS(Cart)=  0.00096208 RMS(Int)=  0.00000051
 Iteration  2 RMS(Cart)=  0.00000092 RMS(Int)=  0.00000022
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00001   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00002   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00001   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00001   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00001   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00001   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00001   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00001   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93045  -0.00002  -0.00001  -0.00003  -0.00004   2.93041
    R2        2.07165  -0.00001   0.00002  -0.00001   0.00002   2.07166
    R3        2.07047  -0.00003  -0.00001  -0.00003  -0.00004   2.07043
    R4        2.07670  -0.00003   0.00001  -0.00002  -0.00002   2.07669
    R5        2.84164  -0.00001   0.00003  -0.00001   0.00002   2.84166
    R6        2.06984  -0.00004   0.00002  -0.00003  -0.00001   2.06983
    R7        2.07980  -0.00004   0.00003  -0.00004  -0.00001   2.07979
    R8        2.62089  -0.00001   0.00001  -0.00001   0.00001   2.62089
    R9        2.65394   0.00001   0.00003   0.00000   0.00004   2.65398
   R10        2.65837   0.00003  -0.00001   0.00002   0.00001   2.65838
   R11        2.04220   0.00002  -0.00001   0.00001   0.00000   2.04220
   R12        2.59524  -0.00003  -0.00003  -0.00001  -0.00004   2.59520
   R13        1.91174   0.00000   0.00000   0.00000   0.00000   1.91174
   R14        2.53420   0.00001   0.00002   0.00002   0.00003   2.53424
   R15        2.03609   0.00000   0.00001   0.00000   0.00000   2.03609
   R16        4.14733   0.00000   0.00038  -0.00006   0.00032   4.14765
   R17        2.91878  -0.00001   0.00002  -0.00001   0.00002   2.91880
   R18        2.07380   0.00000   0.00002   0.00000   0.00002   2.07382
   R19        2.07759  -0.00001   0.00001   0.00000   0.00001   2.07760
   R20        2.07569   0.00001  -0.00005   0.00000  -0.00004   2.07565
   R21        2.92659  -0.00001  -0.00006  -0.00001  -0.00007   2.92652
   R22        2.07734   0.00000   0.00000   0.00000   0.00000   2.07734
   R23        2.07294   0.00000   0.00001   0.00000   0.00001   2.07295
   R24        2.88459   0.00000  -0.00004   0.00002  -0.00002   2.88457
   R25        2.07117   0.00000  -0.00001   0.00000  -0.00001   2.07116
   R26        2.07732   0.00000   0.00002   0.00000   0.00002   2.07734
   R27        2.40998   0.00001   0.00009   0.00010   0.00019   2.41017
   R28        2.52624  -0.00009  -0.00007  -0.00013  -0.00021   2.52603
   R29        4.09133  -0.00002  -0.00289  -0.00303  -0.00593   4.08540
   R30        2.57015   0.00010   0.00222   0.00140   0.00362   2.57377
   R31        2.91595   0.00001  -0.00002   0.00000  -0.00001   2.91594
   R32        2.07175   0.00000  -0.00001   0.00000  -0.00002   2.07174
   R33        2.07039   0.00000   0.00001   0.00000   0.00001   2.07039
   R34        2.07365  -0.00001   0.00001  -0.00001   0.00001   2.07365
   R35        2.84638   0.00001   0.00001   0.00001   0.00001   2.84639
   R36        2.07943   0.00000  -0.00002   0.00000  -0.00002   2.07942
   R37        2.08023   0.00000  -0.00001   0.00000  -0.00001   2.08022
   R38        2.62019   0.00000  -0.00005   0.00001  -0.00004   2.62015
   R39        2.65648   0.00000   0.00009  -0.00002   0.00008   2.65656
   R40        2.65633   0.00000   0.00003  -0.00001   0.00002   2.65635
   R41        2.03515   0.00000  -0.00001   0.00000  -0.00001   2.03514
   R42        2.59511   0.00000  -0.00004   0.00000  -0.00004   2.59507
   R43        1.91278   0.00000   0.00000   0.00000   0.00000   1.91278
   R44        2.53225   0.00000   0.00000   0.00000   0.00000   2.53224
   R45        2.03597   0.00000   0.00001   0.00000   0.00001   2.03598
   R46        4.06712  -0.00002  -0.00018  -0.00018  -0.00036   4.06676
   R47        2.91822   0.00000   0.00006   0.00000   0.00006   2.91828
   R48        2.07259   0.00000   0.00000   0.00000   0.00000   2.07259
   R49        2.07232   0.00001  -0.00004   0.00000  -0.00003   2.07229
   R50        2.07056  -0.00001   0.00001   0.00000   0.00000   2.07056
   R51        2.84450  -0.00001   0.00001  -0.00001   0.00000   2.84450
   R52        2.07853   0.00000  -0.00001   0.00000  -0.00001   2.07852
   R53        2.07872   0.00000   0.00000   0.00000   0.00000   2.07871
   R54        2.62228   0.00000   0.00000   0.00000   0.00000   2.62229
   R55        2.65350  -0.00001  -0.00003  -0.00001  -0.00004   2.65346
   R56        2.64870  -0.00002   0.00002  -0.00001   0.00001   2.64871
   R57        2.03589   0.00000   0.00000   0.00000   0.00000   2.03589
   R58        2.60138   0.00000  -0.00001   0.00000  -0.00001   2.60138
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52698   0.00000   0.00001   0.00000   0.00001   2.52698
   R61        2.03643   0.00000   0.00000   0.00000   0.00000   2.03643
   R62        4.04535  -0.00005   0.00015  -0.00009   0.00006   4.04541
   R63        3.83449   0.00002   0.00017   0.00008   0.00025   3.83474
   R64        4.50567   0.00002  -0.00115  -0.00034  -0.00150   4.50417
   R65        4.34286   0.00001  -0.00043   0.00053   0.00011   4.34296
   R66        1.85992  -0.00001   0.00012   0.00007   0.00020   1.86011
   R67        2.08597  -0.00006  -0.00122  -0.00068  -0.00190   2.08406
   R68        2.39617   0.00000  -0.00003   0.00000  -0.00003   2.39614
   R69        2.58367  -0.00004   0.00005  -0.00004   0.00001   2.58368
   R70        2.86860   0.00002  -0.00007   0.00002  -0.00004   2.86855
   R71        2.76828   0.00001   0.00007  -0.00002   0.00004   2.76833
   R72        1.91408   0.00000  -0.00001   0.00000  -0.00001   1.91407
   R73        2.90217  -0.00001  -0.00006   0.00001  -0.00004   2.90213
   R74        2.07410   0.00001   0.00000   0.00000   0.00001   2.07410
   R75        2.06955   0.00000  -0.00001   0.00000  -0.00001   2.06954
   R76        2.41244  -0.00002   0.00007  -0.00001   0.00006   2.41250
   R77        2.55040   0.00001  -0.00001   0.00001   0.00000   2.55040
   R78        1.91790   0.00000   0.00001   0.00000   0.00001   1.91791
   R79        2.78913  -0.00002   0.00010   0.00000   0.00010   2.78923
   R80        2.06898   0.00000  -0.00004   0.00001  -0.00003   2.06895
   R81        2.06331  -0.00001   0.00002  -0.00001   0.00001   2.06332
   R82        2.07181   0.00000  -0.00002   0.00000  -0.00001   2.07180
   R83        2.07204   0.00000  -0.00001   0.00000  -0.00001   2.07203
   R84        2.06858   0.00000   0.00002   0.00000   0.00002   2.06860
   R85        2.06898   0.00000   0.00000   0.00000   0.00000   2.06897
    A1        1.92382   0.00001  -0.00002   0.00001  -0.00001   1.92381
    A2        1.93538  -0.00001   0.00002  -0.00002   0.00000   1.93538
    A3        1.95296   0.00000  -0.00001   0.00000  -0.00001   1.95295
    A4        1.88819   0.00000   0.00002   0.00000   0.00003   1.88822
    A5        1.87369   0.00000   0.00003  -0.00001   0.00003   1.87371
    A6        1.88745   0.00000  -0.00004   0.00001  -0.00003   1.88741
    A7        1.98678  -0.00002   0.00013  -0.00001   0.00011   1.98689
    A8        1.90942   0.00001   0.00002   0.00000   0.00002   1.90943
    A9        1.90664   0.00000  -0.00003  -0.00002  -0.00005   1.90659
   A10        1.88016   0.00000   0.00003  -0.00001   0.00002   1.88018
   A11        1.91962   0.00001  -0.00009   0.00003  -0.00006   1.91955
   A12        1.85661   0.00000  -0.00006   0.00001  -0.00005   1.85656
   A13        2.30421  -0.00002   0.00012  -0.00004   0.00008   2.30428
   A14        2.14708   0.00001  -0.00008   0.00002  -0.00006   2.14703
   A15        1.83189   0.00000  -0.00004   0.00002  -0.00002   1.83187
   A16        1.91608  -0.00001   0.00004  -0.00002   0.00003   1.91611
   A17        2.24274   0.00000   0.00001  -0.00001   0.00000   2.24274
   A18        2.12427   0.00001  -0.00006   0.00003  -0.00003   2.12424
   A19        1.89594   0.00001   0.00000   0.00000   0.00000   1.89594
   A20        2.19108   0.00001  -0.00006   0.00002  -0.00004   2.19103
   A21        2.19610  -0.00001   0.00006  -0.00002   0.00004   2.19614
   A22        1.92277   0.00000   0.00003   0.00000   0.00003   1.92279
   A23        2.16204   0.00000  -0.00001  -0.00001  -0.00001   2.16202
   A24        2.19837   0.00000  -0.00002   0.00001  -0.00001   2.19836
   A25        1.85810   0.00000  -0.00004   0.00001  -0.00003   1.85806
   A26        2.21848  -0.00001   0.00027   0.00016   0.00043   2.21890
   A27        2.20609   0.00001  -0.00024  -0.00016  -0.00040   2.20569
   A28        1.93562   0.00000  -0.00014   0.00001  -0.00013   1.93549
   A29        1.93455   0.00000   0.00001   0.00000   0.00000   1.93455
   A30        1.93422   0.00000   0.00008   0.00000   0.00009   1.93431
   A31        1.88920   0.00000  -0.00007   0.00001  -0.00006   1.88914
   A32        1.88564   0.00000   0.00004   0.00000   0.00004   1.88568
   A33        1.88275   0.00000   0.00007  -0.00001   0.00006   1.88281
   A34        1.97093   0.00001  -0.00010   0.00001  -0.00009   1.97084
   A35        1.91253   0.00000   0.00008   0.00000   0.00008   1.91262
   A36        1.91155   0.00000  -0.00004  -0.00001  -0.00005   1.91150
   A37        1.90065  -0.00001   0.00000   0.00000   0.00001   1.90066
   A38        1.89043   0.00000   0.00009  -0.00001   0.00008   1.89051
   A39        1.87522   0.00000  -0.00003   0.00000  -0.00003   1.87519
   A40        1.94214   0.00000   0.00014   0.00004   0.00018   1.94232
   A41        1.94086   0.00000  -0.00002   0.00002   0.00000   1.94086
   A42        1.90387  -0.00001   0.00002   0.00000   0.00002   1.90389
   A43        1.90321   0.00000  -0.00014  -0.00001  -0.00016   1.90305
   A44        1.88785   0.00000   0.00003  -0.00003   0.00000   1.88785
   A45        1.88427   0.00000  -0.00003  -0.00002  -0.00005   1.88422
   A46        2.10564  -0.00003   0.00006  -0.00012  -0.00006   2.10557
   A47        2.04032   0.00003  -0.00002   0.00009   0.00007   2.04040
   A48        2.13662   0.00001  -0.00004   0.00003  -0.00001   2.13660
   A49        1.81508   0.00001   0.00055   0.00030   0.00085   1.81593
   A50        1.84197   0.00000  -0.00049  -0.00025  -0.00074   1.84123
   A51        1.93816  -0.00001   0.00001  -0.00002   0.00000   1.93816
   A52        1.92246   0.00000   0.00006   0.00000   0.00006   1.92251
   A53        1.94209   0.00001  -0.00003   0.00002  -0.00002   1.94207
   A54        1.88569   0.00000  -0.00005   0.00001  -0.00004   1.88565
   A55        1.89179   0.00000   0.00002   0.00000   0.00001   1.89180
   A56        1.88176   0.00000  -0.00001   0.00000  -0.00001   1.88175
   A57        1.97666   0.00000  -0.00011   0.00002  -0.00009   1.97657
   A58        1.90127   0.00000   0.00002  -0.00001   0.00001   1.90128
   A59        1.90733   0.00000   0.00005   0.00000   0.00004   1.90737
   A60        1.90415   0.00000   0.00010  -0.00001   0.00009   1.90424
   A61        1.91286   0.00000  -0.00009   0.00002  -0.00007   1.91278
   A62        1.85777   0.00000   0.00004  -0.00002   0.00002   1.85780
   A63        2.32112  -0.00002  -0.00003   0.00000  -0.00003   2.32108
   A64        2.13587   0.00002   0.00003   0.00001   0.00004   2.13591
   A65        1.82604   0.00000   0.00001  -0.00001   0.00000   1.82604
   A66        1.91813   0.00000   0.00000   0.00000   0.00001   1.91814
   A67        2.24607   0.00001   0.00006   0.00000   0.00006   2.24613
   A68        2.11834  -0.00001  -0.00007   0.00000  -0.00007   2.11827
   A69        1.90198   0.00001  -0.00003   0.00001  -0.00002   1.90197
   A70        2.18847   0.00000  -0.00002   0.00000  -0.00002   2.18845
   A71        2.19230  -0.00001   0.00005  -0.00001   0.00004   2.19233
   A72        1.91681  -0.00001   0.00003  -0.00001   0.00002   1.91683
   A73        2.18676   0.00001  -0.00001   0.00001   0.00000   2.18676
   A74        2.17885   0.00000  -0.00002   0.00000  -0.00002   2.17883
   A75        1.86179   0.00001  -0.00001   0.00000  -0.00001   1.86178
   A76        2.19954   0.00002   0.00005   0.00013   0.00018   2.19972
   A77        2.19632  -0.00002  -0.00003  -0.00008  -0.00011   2.19621
   A78        1.94207   0.00000  -0.00002   0.00000  -0.00002   1.94205
   A79        1.94041   0.00000  -0.00004   0.00001  -0.00003   1.94038
   A80        1.92536   0.00000  -0.00004   0.00000  -0.00005   1.92532
   A81        1.89015   0.00000   0.00003   0.00000   0.00003   1.89018
   A82        1.87705   0.00000  -0.00001   0.00000  -0.00001   1.87704
   A83        1.88665   0.00000   0.00008   0.00000   0.00007   1.88672
   A84        1.95908   0.00000   0.00001  -0.00001   0.00000   1.95907
   A85        1.90789   0.00000   0.00002   0.00001   0.00002   1.90791
   A86        1.90625   0.00000  -0.00006   0.00000  -0.00005   1.90620
   A87        1.91224   0.00000   0.00000   0.00001   0.00001   1.91226
   A88        1.91947   0.00000   0.00002  -0.00001   0.00001   1.91948
   A89        1.85603   0.00000   0.00000   0.00000   0.00001   1.85603
   A90        2.30236  -0.00001  -0.00008   0.00000  -0.00008   2.30228
   A91        2.15440   0.00001   0.00007   0.00000   0.00008   2.15448
   A92        1.82641   0.00000   0.00001   0.00000   0.00000   1.82641
   A93        1.91779   0.00000   0.00000   0.00000   0.00000   1.91779
   A94        2.24957   0.00000  -0.00002   0.00000  -0.00002   2.24955
   A95        2.11582   0.00000   0.00003   0.00000   0.00002   2.11584
   A96        1.89979   0.00000   0.00001   0.00001   0.00001   1.89980
   A97        2.19037   0.00000   0.00004  -0.00001   0.00003   2.19040
   A98        2.19290   0.00000  -0.00004   0.00000  -0.00004   2.19286
   A99        1.91548   0.00000   0.00001  -0.00001   0.00000   1.91548
   A100       2.18940   0.00000   0.00004   0.00001   0.00004   2.18945
   A101       2.17804   0.00000  -0.00004   0.00000  -0.00004   2.17800
   A102       1.86527   0.00000  -0.00002   0.00001  -0.00001   1.86526
   A103       2.21196   0.00003  -0.00009   0.00006  -0.00003   2.21193
   A104       2.19090  -0.00003   0.00014  -0.00004   0.00010   2.19100
   A105       1.71508  -0.00001  -0.00043   0.00009  -0.00034   1.71474
   A106       1.56176  -0.00001   0.00010  -0.00004   0.00007   1.56182
   A107       1.68586   0.00001  -0.00041  -0.00013  -0.00054   1.68532
   A108       3.00471  -0.00001   0.00020  -0.00001   0.00020   3.00491
   A109       1.66423   0.00001   0.00003  -0.00009  -0.00006   1.66417
   A110       1.72207  -0.00001   0.00017   0.00002   0.00019   1.72226
   A111       1.61406   0.00001   0.00007   0.00012   0.00019   1.61425
   A112       1.48504   0.00001   0.00037   0.00008   0.00045   1.48549
   A113       2.89492   0.00000   0.00038   0.00001   0.00038   2.89531
   A114       2.90468   0.00000   0.00001  -0.00004  -0.00004   2.90464
   A115       1.44841   0.00000   0.00009   0.00008   0.00017   1.44858
   A116       1.48651   0.00001  -0.00018  -0.00005  -0.00022   1.48629
   A117       1.57635   0.00000   0.00022   0.00004   0.00026   1.57660
   A118       1.43453  -0.00001   0.00005  -0.00006  -0.00001   1.43452
   A119       1.42902  -0.00001   0.00001  -0.00009  -0.00008   1.42894
   A120       2.10703  -0.00001   0.00011   0.00025   0.00036   2.10739
   A121       2.17794  -0.00001  -0.00029  -0.00023  -0.00052   2.17742
   A122       1.76594   0.00001   0.00000  -0.00027  -0.00027   1.76567
   A123       2.08123  -0.00001   0.00054   0.00094   0.00148   2.08271
   A124       2.90620  -0.00001  -0.00056  -0.00068  -0.00123   2.90497
   A125       2.13078   0.00003  -0.00002   0.00002  -0.00001   2.13077
   A126       2.11485  -0.00002   0.00007  -0.00003   0.00004   2.11489
   A127       2.03741   0.00000  -0.00004   0.00001  -0.00003   2.03738
   A128       2.29684  -0.00002   0.00051   0.00012   0.00063   2.29747
   A129       2.14510   0.00003  -0.00005   0.00002  -0.00004   2.14506
   A130       2.07049  -0.00002   0.00004  -0.00001   0.00003   2.07052
   A131       2.06731  -0.00001   0.00000  -0.00001  -0.00001   2.06730
   A132       1.98052   0.00000  -0.00003  -0.00003  -0.00006   1.98046
   A133       1.90309   0.00000   0.00000  -0.00002  -0.00002   1.90308
   A134       1.90243  -0.00001  -0.00002  -0.00001  -0.00003   1.90240
   A135       1.82026  -0.00001   0.00007   0.00005   0.00012   1.82039
   A136       1.94897   0.00001   0.00000   0.00001   0.00001   1.94898
   A137       1.90576   0.00000  -0.00002   0.00000  -0.00002   1.90574
   A138       2.09897  -0.00003  -0.00002  -0.00002  -0.00004   2.09893
   A139       2.03100   0.00000   0.00012  -0.00003   0.00009   2.03109
   A140       2.15110   0.00003  -0.00010   0.00004  -0.00005   2.15104
   A141       2.06966   0.00008   0.00009  -0.00002   0.00007   2.06972
   A142       2.06344  -0.00001   0.00004  -0.00001   0.00003   2.06347
   A143       2.16096   0.00001  -0.00018   0.00004  -0.00014   2.16082
   A144       2.03925  -0.00001   0.00000  -0.00002  -0.00002   2.03924
   A145       1.91455   0.00000  -0.00015   0.00000  -0.00014   1.91441
   A146       1.89486   0.00000   0.00001   0.00001   0.00002   1.89488
   A147       1.90493   0.00000   0.00001   0.00001   0.00002   1.90494
   A148       1.91089   0.00001  -0.00001   0.00000   0.00000   1.91089
   A149       1.93007  -0.00001   0.00004  -0.00004   0.00000   1.93007
   A150       1.90815   0.00001   0.00009   0.00002   0.00012   1.90827
   A151       1.90458  -0.00001   0.00015  -0.00002   0.00013   1.90471
   A152       1.90405   0.00000   0.00000  -0.00001  -0.00001   1.90404
   A153       1.97692   0.00000  -0.00005   0.00001  -0.00004   1.97688
   A154       1.87646   0.00000  -0.00004   0.00001  -0.00004   1.87643
   A155       1.89329   0.00000  -0.00001   0.00000   0.00000   1.89328
   A156       1.90595   0.00000  -0.00005   0.00000  -0.00005   1.90590
    D1        3.11104   0.00000   0.00012  -0.00004   0.00008   3.11112
    D2        1.00685   0.00000  -0.00002  -0.00002  -0.00004   1.00681
    D3       -1.01902   0.00000   0.00006  -0.00002   0.00004  -1.01898
    D4        1.02054   0.00000   0.00009  -0.00004   0.00005   1.02059
    D5       -1.08365   0.00000  -0.00005  -0.00002  -0.00007  -1.08372
    D6       -3.10952   0.00000   0.00003  -0.00002   0.00001  -3.10951
    D7       -1.08846   0.00000   0.00013  -0.00004   0.00010  -1.08836
    D8        3.09054   0.00000  -0.00001  -0.00001  -0.00002   3.09052
    D9        1.06466   0.00000   0.00008  -0.00002   0.00006   1.06472
   D10       -2.11844   0.00000  -0.00016  -0.00026  -0.00043  -2.11887
   D11        1.02510  -0.00001   0.00015  -0.00035  -0.00020   1.02490
   D12        0.00208   0.00000  -0.00003  -0.00028  -0.00031   0.00176
   D13       -3.13756  -0.00001   0.00027  -0.00036  -0.00009  -3.13765
   D14        2.01869   0.00000  -0.00014  -0.00025  -0.00039   2.01830
   D15       -1.12095   0.00000   0.00017  -0.00034  -0.00017  -1.12111
   D16       -3.13834   0.00000   0.00008  -0.00008   0.00000  -3.13833
   D17        0.01793  -0.00001   0.00053  -0.00016   0.00037   0.01830
   D18        0.00156   0.00001  -0.00019  -0.00001  -0.00019   0.00137
   D19       -3.12536   0.00000   0.00026  -0.00009   0.00017  -3.12519
   D20        3.13878   0.00000  -0.00018   0.00011  -0.00007   3.13871
   D21       -0.01502   0.00000   0.00001  -0.00001   0.00000  -0.01502
   D22       -0.00131   0.00000   0.00006   0.00004   0.00010  -0.00121
   D23        3.12808  -0.00001   0.00024  -0.00007   0.00017   3.12825
   D24       -0.00124  -0.00001   0.00025  -0.00003   0.00021  -0.00103
   D25        3.10707  -0.00001  -0.00032   0.00029  -0.00004   3.10703
   D26        3.12685   0.00000  -0.00017   0.00005  -0.00012   3.12673
   D27       -0.04803   0.00000  -0.00074   0.00037  -0.00037  -0.04839
   D28        0.00059  -0.00001   0.00009  -0.00007   0.00003   0.00062
   D29       -3.13624   0.00000   0.00025  -0.00007   0.00019  -3.13605
   D30       -3.12875   0.00000  -0.00009   0.00005  -0.00004  -3.12880
   D31        0.01760   0.00001   0.00007   0.00005   0.00012   0.01772
   D32        0.00039   0.00001  -0.00020   0.00006  -0.00014   0.00024
   D33       -3.10823   0.00001   0.00035  -0.00027   0.00008  -3.10815
   D34        3.13709   0.00000  -0.00037   0.00006  -0.00031   3.13678
   D35        0.02847   0.00000   0.00018  -0.00027  -0.00008   0.02839
   D36        1.94763   0.00000   0.00098  -0.00013   0.00085   1.94848
   D37       -2.61321  -0.00001   0.00116  -0.00011   0.00105  -2.61215
   D38        0.31601   0.00000   0.00102  -0.00024   0.00078   0.31679
   D39       -2.33071   0.00000   0.00119   0.00128   0.00247  -2.32824
   D40       -1.12792   0.00000   0.00099  -0.00016   0.00084  -1.12708
   D41       -1.23362   0.00001   0.00030   0.00026   0.00057  -1.23305
   D42        0.48873   0.00000   0.00049   0.00028   0.00077   0.48950
   D43       -2.86524   0.00000   0.00035   0.00015   0.00050  -2.86474
   D44        0.77123   0.00000   0.00052   0.00166   0.00219   0.77341
   D45        1.97401   0.00001   0.00032   0.00023   0.00055   1.97456
   D46        1.06411   0.00000   0.00014  -0.00001   0.00014   1.06424
   D47       -3.09707   0.00000   0.00014   0.00001   0.00015  -3.09693
   D48       -1.04414   0.00000   0.00012   0.00001   0.00013  -1.04401
   D49       -1.03486   0.00000   0.00032  -0.00002   0.00029  -1.03457
   D50        1.08714   0.00000   0.00031  -0.00001   0.00030   1.08744
   D51        3.14007   0.00000   0.00030  -0.00001   0.00029   3.14036
   D52       -3.12480   0.00000   0.00016   0.00000   0.00016  -3.12464
   D53       -1.00280   0.00000   0.00015   0.00001   0.00017  -1.00263
   D54        1.05013   0.00000   0.00014   0.00001   0.00015   1.05028
   D55       -1.08460   0.00000   0.00013  -0.00008   0.00006  -1.08454
   D56        1.04089   0.00000   0.00003  -0.00005  -0.00002   1.04087
   D57        3.11714   0.00000   0.00000  -0.00007  -0.00007   3.11707
   D58        3.06989   0.00000   0.00010  -0.00009   0.00000   3.06989
   D59       -1.08781   0.00000   0.00000  -0.00007  -0.00007  -1.08788
   D60        0.98844   0.00000  -0.00004  -0.00009  -0.00012   0.98832
   D61        1.03564   0.00000   0.00008  -0.00009  -0.00001   1.03563
   D62       -3.12206   0.00000  -0.00002  -0.00007  -0.00008  -3.12215
   D63       -1.04581   0.00000  -0.00005  -0.00009  -0.00014  -1.04595
   D64       -0.87722   0.00000   0.00080   0.00036   0.00116  -0.87606
   D65        2.22777   0.00000   0.00091   0.00023   0.00115   2.22892
   D66       -3.02444   0.00000   0.00083   0.00032   0.00115  -3.02330
   D67        0.08055   0.00000   0.00094   0.00019   0.00113   0.08168
   D68        1.21376   0.00000   0.00092   0.00037   0.00129   1.21505
   D69       -1.96443   0.00000   0.00104   0.00024   0.00128  -1.96315
   D70        2.98786  -0.00001  -0.00008   0.00006  -0.00002   2.98784
   D71       -0.11507  -0.00001  -0.00020   0.00020   0.00000  -0.11507
   D72       -2.99505   0.00000  -0.00018  -0.00009  -0.00027  -2.99532
   D73        0.10924   0.00000  -0.00006  -0.00022  -0.00029   0.10896
   D74       -0.00158   0.00002   0.00051  -0.00012   0.00040  -0.00118
   D75        0.22468   0.00001  -0.00005  -0.00083  -0.00088   0.22380
   D76       -1.04736   0.00000  -0.00013   0.00001  -0.00012  -1.04749
   D77        1.07490   0.00000  -0.00006   0.00000  -0.00006   1.07484
   D78        3.09801   0.00000   0.00003  -0.00002   0.00000   3.09801
   D79       -3.13564   0.00000  -0.00012   0.00001  -0.00011  -3.13575
   D80       -1.01337   0.00000  -0.00004   0.00000  -0.00004  -1.01342
   D81        1.00973   0.00000   0.00004  -0.00002   0.00002   1.00975
   D82        1.06166   0.00000  -0.00012   0.00000  -0.00012   1.06154
   D83       -3.09926   0.00000  -0.00005   0.00000  -0.00005  -3.09931
   D84       -1.07615   0.00000   0.00004  -0.00003   0.00001  -1.07615
   D85       -0.08061  -0.00001  -0.00047  -0.00017  -0.00065  -0.08125
   D86        3.03818  -0.00001   0.00012  -0.00021  -0.00009   3.03809
   D87       -2.20125  -0.00001  -0.00050  -0.00017  -0.00067  -2.20192
   D88        0.91753  -0.00001   0.00009  -0.00020  -0.00011   0.91742
   D89        2.05414   0.00000  -0.00055  -0.00015  -0.00071   2.05343
   D90       -1.11027   0.00000   0.00004  -0.00019  -0.00015  -1.11041
   D91        3.11728   0.00000   0.00058  -0.00005   0.00054   3.11781
   D92        0.01440   0.00000   0.00070  -0.00005   0.00065   0.01505
   D93       -0.00441   0.00000   0.00006  -0.00002   0.00005  -0.00436
   D94       -3.10729   0.00000   0.00018  -0.00002   0.00016  -3.10712
   D95       -3.11769   0.00000  -0.00049   0.00006  -0.00043  -3.11812
   D96       -0.00643  -0.00001  -0.00044  -0.00005  -0.00050  -0.00693
   D97        0.00666   0.00000  -0.00004   0.00004   0.00000   0.00666
   D98        3.11792  -0.00001   0.00000  -0.00008  -0.00008   3.11785
   D99        0.00054   0.00000  -0.00006  -0.00001  -0.00008   0.00047
   D100      -2.91045   0.00001  -0.00011  -0.00021  -0.00032  -2.91077
   D101       3.10674   0.00000  -0.00017  -0.00001  -0.00018   3.10657
   D102       0.19575   0.00000  -0.00021  -0.00021  -0.00042   0.19533
   D103      -0.00668   0.00000   0.00000  -0.00005  -0.00004  -0.00672
   D104       3.09468   0.00000  -0.00008  -0.00002  -0.00009   3.09459
   D105      -3.11785   0.00001  -0.00004   0.00007   0.00003  -3.11782
   D106      -0.01649   0.00001  -0.00012   0.00010  -0.00002  -0.01652
   D107       0.00376  -0.00001   0.00004   0.00003   0.00007   0.00383
   D108       2.91530   0.00000   0.00010   0.00027   0.00036   2.91566
   D109      -3.09782  -0.00001   0.00012   0.00000   0.00012  -3.09770
   D110      -0.18628   0.00000   0.00017   0.00024   0.00041  -0.18587
   D111      -0.47768   0.00000  -0.00007   0.00018   0.00011  -0.47758
   D112      -2.06139   0.00001  -0.00014   0.00020   0.00006  -2.06132
   D113       1.21584   0.00000  -0.00050   0.00007  -0.00043   1.21541
   D114       2.78849   0.00000  -0.00027   0.00010  -0.00017   2.78832
   D115       2.39146   0.00000  -0.00056   0.00031  -0.00025   2.39121
   D116       2.93740  -0.00001  -0.00013  -0.00007  -0.00020   2.93720
   D117       1.35369   0.00000  -0.00020  -0.00005  -0.00025   1.35345
   D118      -1.65227   0.00000  -0.00056  -0.00018  -0.00074  -1.65301
   D119      -0.07962   0.00000  -0.00033  -0.00015  -0.00048  -0.08009
   D120      -0.47664  -0.00001  -0.00061   0.00006  -0.00056  -0.47720
   D121      -1.05674   0.00000  -0.00003   0.00002  -0.00001  -1.05674
   D122       3.10092   0.00000  -0.00005   0.00001  -0.00004   3.10089
   D123       1.07682   0.00000  -0.00003   0.00000  -0.00003   1.07679
   D124       1.05174   0.00000  -0.00002   0.00002   0.00000   1.05174
   D125      -1.07379   0.00000  -0.00004   0.00001  -0.00003  -1.07382
   D126      -3.09789   0.00000  -0.00003   0.00000  -0.00003  -3.09791
   D127      -3.13862   0.00000   0.00002   0.00002   0.00004  -3.13858
   D128       1.01904   0.00000   0.00000   0.00001   0.00001   1.01905
   D129      -1.00506   0.00000   0.00002   0.00000   0.00002  -1.00504
   D130       0.37314   0.00000   0.00109   0.00032   0.00141   0.37454
   D131      -2.76071  -0.00001   0.00128   0.00023   0.00152  -2.75919
   D132       2.49618   0.00000   0.00112   0.00032   0.00144   2.49762
   D133      -0.63767   0.00000   0.00131   0.00024   0.00155  -0.63612
   D134      -1.75289   0.00000   0.00114   0.00033   0.00147  -1.75143
   D135       1.39645   0.00000   0.00133   0.00024   0.00158   1.39802
   D136      -3.12763  -0.00001   0.00005  -0.00006  -0.00001  -3.12764
   D137       0.01207   0.00000   0.00027  -0.00012   0.00015   0.01222
   D138       0.00728   0.00000  -0.00012   0.00001  -0.00011   0.00717
   D139      -3.13620   0.00000   0.00010  -0.00005   0.00005  -3.13615
   D140       3.12831   0.00000  -0.00001   0.00005   0.00004   3.12835
   D141       0.00290   0.00000  -0.00022   0.00006  -0.00016   0.00274
   D142      -0.00732   0.00000   0.00014  -0.00001   0.00013  -0.00719
   D143      -3.13273   0.00000  -0.00007  -0.00001  -0.00008  -3.13281
   D144      -0.00459   0.00000   0.00005   0.00000   0.00005  -0.00455
   D145       2.95850   0.00001   0.00027   0.00012   0.00038   2.95888
   D146       3.13872   0.00000  -0.00015   0.00005  -0.00010   3.13862
   D147      -0.18138   0.00001   0.00007   0.00017   0.00024  -0.18114
   D148       0.00481   0.00000  -0.00012   0.00001  -0.00011   0.00470
   D149      -3.11318   0.00000  -0.00014   0.00003  -0.00012  -3.11329
   D150       3.13019   0.00000   0.00010   0.00001   0.00010   3.13029
   D151       0.01220   0.00000   0.00007   0.00002   0.00009   0.01229
   D152      -0.00018   0.00000   0.00004   0.00000   0.00004  -0.00015
   D153      -2.96603  -0.00001  -0.00014  -0.00013  -0.00028  -2.96631
   D154       3.11799  -0.00001   0.00007  -0.00002   0.00005   3.11804
   D155       0.15215  -0.00002  -0.00012  -0.00015  -0.00027   0.15188
   D156      -1.44201  -0.00001  -0.00019  -0.00041  -0.00060  -1.44261
   D157       0.27336  -0.00001  -0.00061  -0.00032  -0.00093   0.27244
   D158       2.80165   0.00000   0.00124   0.00048   0.00172   2.80337
   D159       1.73792   0.00000  -0.00025  -0.00022  -0.00047   1.73745
   D160      -3.10734  -0.00001  -0.00022  -0.00032  -0.00054  -3.10788
   D161       1.48925   0.00000   0.00004  -0.00026  -0.00022   1.48904
   D162      -3.07856  -0.00001  -0.00038  -0.00017  -0.00054  -3.07910
   D163      -0.55028   0.00001   0.00147   0.00063   0.00211  -0.54817
   D164      -1.61400   0.00000  -0.00001  -0.00007  -0.00009  -1.61409
   D165      -0.17608   0.00000   0.00001  -0.00017  -0.00016  -0.17623
   D166       1.75216  -0.00001  -0.00152  -0.00076  -0.00228   1.74989
   D167      -0.57670  -0.00001  -0.00126  -0.00028  -0.00154  -0.57825
   D168       0.03092  -0.00001  -0.00107  -0.00086  -0.00193   0.02899
   D169      -2.29794   0.00000  -0.00081  -0.00038  -0.00120  -2.29914
   D170      -2.50473  -0.00002  -0.00291  -0.00165  -0.00455  -2.50928
   D171       1.44959  -0.00001  -0.00265  -0.00117  -0.00382   1.44577
   D172      -1.45428  -0.00002  -0.00145  -0.00094  -0.00239  -1.45667
   D173       2.50004  -0.00001  -0.00119  -0.00047  -0.00165   2.49839
   D174      -2.88120  -0.00001  -0.00143  -0.00084  -0.00227  -2.88347
   D175       1.07312   0.00000  -0.00117  -0.00037  -0.00153   1.07159
   D176       1.00831   0.00000   0.00031  -0.00138  -0.00107   1.00724
   D177       3.02748   0.00000   0.00046   0.00001   0.00047   3.02794
   D178       1.29299   0.00001   0.00034   0.00001   0.00035   1.29334
   D179      -1.64197   0.00000   0.00051   0.00013   0.00064  -1.64133
   D180      -0.20963  -0.00001   0.00053   0.00006   0.00059  -0.20904
   D181       2.08774   0.00001  -0.00030  -0.00011  -0.00042   2.08732
   D182      -0.78310   0.00001   0.00020  -0.00025  -0.00005  -0.78315
   D183      -2.64168   0.00000  -0.00022  -0.00015  -0.00037  -2.64205
   D184       0.41321   0.00000   0.00011   0.00001   0.00012   0.41333
   D185      -1.18282   0.00000  -0.00010  -0.00005  -0.00015  -1.18297
   D186      -2.39046   0.00000   0.00004   0.00045   0.00048  -2.38998
   D187       0.09769  -0.00001  -0.00031   0.00002  -0.00029   0.09740
   D188       2.11358  -0.00001   0.00026   0.00079   0.00105   2.11464
   D189      -0.33829   0.00000   0.00041   0.00099   0.00140  -0.33689
   D190       0.90557  -0.00002  -0.00068   0.00011  -0.00056   0.90500
   D191      -2.25493  -0.00002  -0.00049  -0.00015  -0.00064  -2.25557
   D192       0.07627   0.00001   0.00037  -0.00018   0.00018   0.07645
   D193      -3.09152   0.00001  -0.00039  -0.00010  -0.00049  -3.09200
   D194      -3.04721   0.00001   0.00019   0.00007   0.00025  -3.04695
   D195       0.06819   0.00001  -0.00057   0.00016  -0.00041   0.06778
   D196      -1.14924   0.00000  -0.00015   0.00020   0.00006  -1.14918
   D197       0.89627   0.00000  -0.00011   0.00020   0.00008   0.89636
   D198       3.02301   0.00000  -0.00021   0.00020   0.00000   3.02300
   D199       1.97442   0.00000   0.00003  -0.00005  -0.00002   1.97440
   D200      -2.26326   0.00000   0.00006  -0.00005   0.00001  -2.26324
   D201      -0.13652   0.00000  -0.00003  -0.00004  -0.00008  -0.13660
   D202      -1.44443   0.00001   0.00003   0.00012   0.00014  -1.44428
   D203       0.57598   0.00000   0.00010   0.00015   0.00025   0.57623
   D204       2.65500   0.00000   0.00007   0.00013   0.00020   2.65520
   D205       1.72332   0.00001   0.00078   0.00003   0.00081   1.72412
   D206      -2.53946   0.00000   0.00085   0.00006   0.00091  -2.53855
   D207      -0.46044   0.00000   0.00082   0.00004   0.00086  -0.45958
   D208       0.69362   0.00000   0.00036   0.00006   0.00042   0.69405
   D209      -2.51562   0.00000   0.00043  -0.00007   0.00036  -2.51526
   D210      -1.37516   0.00000   0.00033   0.00006   0.00039  -1.37477
   D211       1.69878   0.00001   0.00039  -0.00006   0.00033   1.69911
   D212       2.85219   0.00000   0.00031   0.00002   0.00034   2.85252
   D213      -0.35706   0.00000   0.00038  -0.00010   0.00028  -0.35678
   D214       1.01289  -0.00002  -0.00037  -0.00009  -0.00046   1.01243
   D215      -2.05621  -0.00002  -0.00044   0.00004  -0.00040  -2.05661
   D216       0.00061   0.00000  -0.00066   0.00007  -0.00060   0.00001
   D217      -2.92289   0.00000   0.00012  -0.00004   0.00009  -2.92280
   D218       3.07233   0.00000  -0.00060  -0.00006  -0.00066   3.07167
   D219       0.14883   0.00000   0.00019  -0.00017   0.00002   0.14885
   D220      -2.44524  -0.00001  -0.00219   0.00014  -0.00205  -2.44729
   D221      -0.35775   0.00000  -0.00228   0.00015  -0.00213  -0.35988
   D222       1.72080   0.00001  -0.00215   0.00019  -0.00197   1.71883
   D223       0.91167  -0.00001  -0.00142   0.00004  -0.00138   0.91029
   D224       2.99916   0.00000  -0.00151   0.00005  -0.00146   2.99770
   D225      -1.20548   0.00001  -0.00138   0.00008  -0.00130  -1.20678
         Item               Value     Threshold  Converged?
 Maximum Force            0.000103     0.000450     YES
 RMS     Force            0.000012     0.000300     YES
 Maximum Displacement     0.005581     0.001800     NO 
 RMS     Displacement     0.000962     0.001200     YES
 Predicted change in Energy=-3.437796D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.071443    2.539077    3.560410
      2          6           0       -3.329241    1.180955    3.657004
      3          6           0       -2.081406    1.109431    2.820924
      4          6           0       -1.697873    0.257015    1.796314
      5          7           0       -1.003050    1.995322    2.978264
      6          6           0       -0.026088    1.662505    2.072287
      7          7           0       -0.415615    0.610131    1.337969
      8          6           0       -5.230431    0.898400    0.147505
      9          6           0       -5.870407   -0.172454   -0.763193
     10          6           0       -5.242427   -1.575806   -0.577282
     11          6           0       -3.761667   -1.573817   -0.947944
     12          8           0       -3.370258   -1.083859   -2.058534
     13          8           0       -2.910584   -2.064923   -0.041693
     14          6           0       -2.269252    4.239160   -2.982225
     15          6           0       -0.998434    3.838338   -3.760273
     16          6           0       -0.196182    2.763228   -3.075210
     17          6           0       -0.324629    2.121864   -1.852671
     18          7           0        0.929247    2.168290   -3.671620
     19          6           0        1.428561    1.209159   -2.825113
     20          7           0        0.689258    1.158936   -1.708635
     21          6           0        4.685287    4.005407    1.487354
     22          6           0        5.165295    2.625559    1.987784
     23          6           0        4.196071    1.526172    1.644686
     24          6           0        3.203084    1.433607    0.679808
     25          7           0        4.141172    0.301432    2.329260
     26          6           0        3.140764   -0.469630    1.781858
     27          7           0        2.556001    0.194248    0.779120
     28         30           0        0.757424   -0.394890   -0.221276
     29          1           0       -4.984981    2.515668    4.165985
     30          1           0       -4.353406    2.757357    2.524434
     31          1           0       -3.454656    3.370326    3.929541
     32          1           0       -3.997062    0.377198    3.328853
     33          1           0       -3.088387    0.973433    4.710664
     34          1           0       -2.252105   -0.561136    1.358885
     35          1           0       -0.960565    2.757963    3.641597
     36          1           0        0.913482    2.182447    1.984125
     37          1           0       -4.161043    1.010508   -0.071974
     38          1           0       -5.337475    0.625439    1.207105
     39          1           0       -5.712033    1.874564    0.000475
     40          1           0       -6.948461   -0.234666   -0.557415
     41          1           0       -5.752594    0.121598   -1.813417
     42          1           0       -5.351905   -1.925386    0.455696
     43          1           0       -5.759034   -2.290560   -1.233530
     44          1           0       -2.939144    3.380936   -2.853367
     45          1           0       -2.815546    5.017220   -3.526776
     46          1           0       -2.020006    4.635872   -1.989940
     47          1           0       -1.288780    3.487877   -4.762127
     48          1           0       -0.369010    4.728631   -3.911860
     49          1           0       -1.078780    2.259290   -1.096236
     50          1           0        1.293654    2.392187   -4.589023
     51          1           0        2.264361    0.563943   -3.039380
     52          1           0        4.571500    4.015530    0.396554
     53          1           0        3.722362    4.276660    1.936519
     54          1           0        5.414030    4.780098    1.750663
     55          1           0        5.308489    2.663476    3.077669
     56          1           0        6.151782    2.405995    1.553443
     57          1           0        2.912782    2.157299   -0.063614
     58          1           0        4.731325    0.036163    3.107758
     59          1           0        2.851797   -1.450965    2.120632
     60          8           0       -0.791613   -1.395530   -1.068090
     61          1           0       -1.214851   -1.063276   -1.892337
     62          1           0       -1.667003   -1.780368   -0.518685
     63          6           0        2.983265   -2.516922   -1.580459
     64          8           0        2.281181   -1.468622   -1.706659
     65          7           0        2.442862   -3.710066   -1.188442
     66          6           0        1.006355   -3.900772   -0.973699
     67          6           0        0.528243   -3.439103    0.410777
     68          8           0        0.995377   -2.370087    0.929241
     69          7           0       -0.448510   -4.173609    0.983406
     70          1           0        0.451875   -3.266677   -1.677355
     71          1           0        0.754341   -4.950245   -1.159316
     72          1           0        3.059131   -4.503963   -1.062451
     73          1           0       -0.806060   -4.976203    0.475417
     74          6           0       -1.212944   -3.741180    2.169663
     75          1           0       -1.373361   -4.594687    2.836351
     76          1           0       -0.638812   -2.973553    2.692423
     77          1           0       -2.171728   -3.319680    1.845550
     78          6           0        4.470503   -2.507867   -1.884237
     79          1           0        4.617407   -2.324694   -2.955272
     80          1           0        4.941864   -1.682502   -1.341227
     81          1           0        4.971488   -3.444986   -1.620563
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0969120      0.0726923      0.0659904
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.2598714897 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122062.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000162    0.000065   -0.000026 Ang=  -0.02 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581783     A.U. after    8 cycles
            NFock=  8  Conv=0.52D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33675 LenP2D=  122062.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000011941    0.000048490    0.000011528
      3        6          -0.000028345    0.000008175    0.000026609
      4        6           0.000082917   -0.000030103   -0.000031021
      5        7          -0.000009649    0.000017788   -0.000000489
      6        6           0.000034543   -0.000022525    0.000000458
      7        7          -0.000087235   -0.000011186    0.000052728
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000009604   -0.000013560    0.000022277
     10        6           0.000027152   -0.000003396   -0.000022423
     11        6          -0.000119330    0.000039818    0.000101417
     12        8           0.000015154   -0.000002407   -0.000033387
     13        8           0.000125158    0.000001109   -0.000023632
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000003615    0.000008424    0.000018686
     16        6          -0.000036262   -0.000018036   -0.000047878
     17        6          -0.000013868    0.000001481    0.000016929
     18        7           0.000037170   -0.000008215    0.000034660
     19        6          -0.000039778    0.000014262   -0.000009103
     20        7           0.000052052    0.000029270   -0.000011713
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000001672   -0.000000377   -0.000007148
     23        6           0.000015164   -0.000000690    0.000024352
     24        6          -0.000022518    0.000021927   -0.000025115
     25        7          -0.000016857   -0.000004681   -0.000019572
     26        6           0.000004807    0.000018813   -0.000016774
     27        7           0.000085009   -0.000045719    0.000035720
     28       30          -0.000115525   -0.000059204   -0.000014082
     29        1          -0.000009265   -0.000011925   -0.000008024
     30        1          -0.000005081    0.000009449    0.000010025
     31        1           0.000011154    0.000021005   -0.000005773
     32        1          -0.000010474   -0.000029721    0.000005191
     33        1           0.000021783   -0.000008383   -0.000028209
     34        1           0.000001888    0.000024737    0.000000845
     35        1          -0.000003805   -0.000013221   -0.000012408
     36        1           0.000004347   -0.000005566   -0.000002703
     37        1           0.000004338   -0.000005070    0.000003689
     38        1           0.000013383   -0.000005262   -0.000007225
     39        1           0.000013491   -0.000011021    0.000004430
     40        1           0.000002723    0.000004336    0.000001096
     41        1          -0.000002362    0.000001307   -0.000003647
     42        1           0.000004387    0.000007941    0.000000906
     43        1           0.000001701   -0.000006118    0.000000922
     44        1          -0.000004984    0.000007752   -0.000000905
     45        1          -0.000006597   -0.000003306   -0.000000187
     46        1           0.000009084    0.000003771   -0.000010295
     47        1          -0.000005193   -0.000003543   -0.000007561
     48        1           0.000008967   -0.000001147   -0.000003511
     49        1          -0.000000950   -0.000004713    0.000011182
     50        1           0.000002290    0.000013691   -0.000009533
     51        1          -0.000001685   -0.000010912    0.000008624
     52        1           0.000001042    0.000001165    0.000003967
     53        1           0.000014080   -0.000004844    0.000007143
     54        1           0.000008638    0.000004120   -0.000000532
     55        1           0.000002492   -0.000004293    0.000000852
     56        1          -0.000002227    0.000005996    0.000002203
     57        1           0.000010703    0.000003420    0.000010414
     58        1          -0.000000259   -0.000002573   -0.000000697
     59        1           0.000007536   -0.000001294    0.000015865
     60        8           0.000047064    0.000018525   -0.000031190
     61        1           0.000031684   -0.000003633    0.000055512
     62        1          -0.000105999   -0.000023223   -0.000050232
     63        6           0.000035680    0.000115745   -0.000002242
     64        8          -0.000029005   -0.000047715    0.000000683
     65        7           0.000014966   -0.000067437   -0.000013105
     66        6          -0.000017242    0.000021337    0.000004239
     67        6           0.000000100   -0.000020834    0.000045110
     68        8           0.000060325    0.000051856   -0.000075324
     69        7           0.000020268   -0.000004477    0.000035728
     70        1           0.000008343   -0.000002243    0.000006304
     71        1          -0.000001567    0.000001155   -0.000005738
     72        1          -0.000005143   -0.000004823    0.000012641
     73        1          -0.000007406    0.000002006    0.000003219
     74        6          -0.000049518   -0.000020258   -0.000021912
     75        1           0.000014350    0.000012632    0.000002397
     76        1           0.000003853    0.000002467   -0.000008052
     77        1           0.000009040    0.000020079   -0.000009770
     78        6          -0.000043853   -0.000022424    0.000000186
     79        1           0.000016212    0.000003622   -0.000001787
     80        1          -0.000001452    0.000004114   -0.000003302
     81        1           0.000000712   -0.000004201   -0.000000477
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000125158 RMS     0.000028144

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000091332 RMS     0.000013825
 Search for a local minimum.
 Step number  50 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50
 DE= -2.94D-07 DEPred=-3.44D-07 R= 8.57D-01
 Trust test= 8.57D-01 RLast= 1.45D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00068   0.00105   0.00147   0.00154   0.00212
     Eigenvalues ---    0.00230   0.00231   0.00234   0.00241   0.00303
     Eigenvalues ---    0.00404   0.00425   0.00528   0.00546   0.00584
     Eigenvalues ---    0.00690   0.00752   0.00810   0.00875   0.00922
     Eigenvalues ---    0.00995   0.01164   0.01261   0.01282   0.01385
     Eigenvalues ---    0.01419   0.01597   0.01695   0.01789   0.01799
     Eigenvalues ---    0.01824   0.01906   0.01933   0.01966   0.02041
     Eigenvalues ---    0.02069   0.02169   0.02252   0.02281   0.02338
     Eigenvalues ---    0.02402   0.02465   0.02555   0.02783   0.03058
     Eigenvalues ---    0.03446   0.03556   0.03779   0.03921   0.03952
     Eigenvalues ---    0.04050   0.04115   0.04232   0.04262   0.04422
     Eigenvalues ---    0.04557   0.04844   0.04947   0.05067   0.05249
     Eigenvalues ---    0.05296   0.05339   0.05382   0.05395   0.05417
     Eigenvalues ---    0.05458   0.05491   0.05509   0.05514   0.05546
     Eigenvalues ---    0.05621   0.05652   0.06103   0.06386   0.06920
     Eigenvalues ---    0.07220   0.07477   0.07686   0.07792   0.08278
     Eigenvalues ---    0.08310   0.08696   0.09172   0.09324   0.09482
     Eigenvalues ---    0.09694   0.09726   0.10124   0.10473   0.10943
     Eigenvalues ---    0.11944   0.12192   0.12365   0.12676   0.12917
     Eigenvalues ---    0.13013   0.13176   0.13386   0.14115   0.14351
     Eigenvalues ---    0.14797   0.15794   0.15854   0.15880   0.15932
     Eigenvalues ---    0.15967   0.15986   0.15991   0.15994   0.15995
     Eigenvalues ---    0.15997   0.16000   0.16002   0.16005   0.16007
     Eigenvalues ---    0.16008   0.16010   0.16014   0.16029   0.16032
     Eigenvalues ---    0.16050   0.16056   0.16083   0.16104   0.16135
     Eigenvalues ---    0.16189   0.16225   0.16324   0.16399   0.16487
     Eigenvalues ---    0.16685   0.17337   0.18113   0.20507   0.21121
     Eigenvalues ---    0.21241   0.21512   0.22271   0.22396   0.22527
     Eigenvalues ---    0.22804   0.22965   0.23198   0.23252   0.23664
     Eigenvalues ---    0.23895   0.24125   0.24214   0.24511   0.25024
     Eigenvalues ---    0.25118   0.25569   0.26351   0.27424   0.27689
     Eigenvalues ---    0.28183   0.28236   0.28387   0.28996   0.30371
     Eigenvalues ---    0.30562   0.31043   0.31526   0.31709   0.31976
     Eigenvalues ---    0.32719   0.33541   0.33625   0.33639   0.33664
     Eigenvalues ---    0.33673   0.33784   0.33815   0.33862   0.33917
     Eigenvalues ---    0.33922   0.33930   0.33945   0.33985   0.34005
     Eigenvalues ---    0.34011   0.34035   0.34065   0.34087   0.34093
     Eigenvalues ---    0.34141   0.34168   0.34181   0.34198   0.34205
     Eigenvalues ---    0.34269   0.34304   0.34357   0.34582   0.35106
     Eigenvalues ---    0.35460   0.35753   0.36081   0.36214   0.36310
     Eigenvalues ---    0.36346   0.36524   0.36746   0.38568   0.39100
     Eigenvalues ---    0.39627   0.40898   0.42517   0.42620   0.42981
     Eigenvalues ---    0.45272   0.45344   0.45481   0.45583   0.45594
     Eigenvalues ---    0.45642   0.45921   0.46476   0.48832   0.49222
     Eigenvalues ---    0.49481   0.49870   0.52095   0.52688   0.54602
     Eigenvalues ---    0.54949   0.55089   0.56955   0.67371   0.74015
     Eigenvalues ---    0.769081000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    50   49   48   47   46
 RFO step:  Lambda=-1.88188933D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    2.74193   -1.71573   -1.13834    1.19083   -0.07869
 Iteration  1 RMS(Cart)=  0.00142126 RMS(Int)=  0.00000134
 Iteration  2 RMS(Cart)=  0.00000238 RMS(Int)=  0.00000042
 Iteration  3 RMS(Cart)=  0.00000001 RMS(Int)=  0.00000042
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00001   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00002   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00003   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00003   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00002   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00001   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00001   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00002   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00003   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93041  -0.00001  -0.00009   0.00005  -0.00004   2.93037
    R2        2.07166  -0.00002   0.00001  -0.00001   0.00000   2.07166
    R3        2.07043  -0.00001  -0.00009   0.00004  -0.00005   2.07038
    R4        2.07669  -0.00002  -0.00007   0.00003  -0.00004   2.07665
    R5        2.84166  -0.00002   0.00000   0.00001   0.00001   2.84167
    R6        2.06983  -0.00003  -0.00007   0.00003  -0.00004   2.06978
    R7        2.07979  -0.00004  -0.00008   0.00003  -0.00005   2.07974
    R8        2.62089  -0.00001  -0.00001   0.00000  -0.00001   2.62088
    R9        2.65398   0.00000   0.00006  -0.00002   0.00004   2.65402
   R10        2.65838   0.00003   0.00006  -0.00001   0.00006   2.65844
   R11        2.04220   0.00002   0.00002   0.00001   0.00003   2.04223
   R12        2.59520  -0.00001  -0.00009   0.00003  -0.00006   2.59514
   R13        1.91174   0.00000   0.00000   0.00000  -0.00001   1.91174
   R14        2.53424   0.00000   0.00005  -0.00001   0.00004   2.53428
   R15        2.03609   0.00000   0.00001   0.00000   0.00001   2.03610
   R16        4.14765   0.00000   0.00059   0.00013   0.00073   4.14838
   R17        2.91880  -0.00001   0.00000   0.00000   0.00000   2.91880
   R18        2.07382   0.00000   0.00003  -0.00001   0.00002   2.07384
   R19        2.07760  -0.00001   0.00000   0.00001   0.00000   2.07760
   R20        2.07565   0.00002  -0.00005   0.00003  -0.00002   2.07563
   R21        2.92652   0.00000  -0.00008  -0.00001  -0.00009   2.92643
   R22        2.07734   0.00000   0.00000   0.00001   0.00001   2.07734
   R23        2.07295   0.00000   0.00001   0.00000   0.00001   2.07296
   R24        2.88457   0.00002  -0.00002   0.00005   0.00003   2.88460
   R25        2.07116   0.00000  -0.00001   0.00002   0.00000   2.07116
   R26        2.07734   0.00000   0.00003   0.00000   0.00003   2.07737
   R27        2.41017   0.00002   0.00024   0.00017   0.00041   2.41058
   R28        2.52603  -0.00009  -0.00034  -0.00014  -0.00048   2.52556
   R29        4.08540  -0.00001  -0.00784  -0.00343  -0.01126   4.07414
   R30        2.57377   0.00007   0.00462   0.00180   0.00641   2.58018
   R31        2.91594   0.00001  -0.00001   0.00001   0.00000   2.91594
   R32        2.07174   0.00001  -0.00002   0.00001  -0.00001   2.07172
   R33        2.07039   0.00000   0.00001   0.00000   0.00001   2.07040
   R34        2.07365  -0.00001   0.00000  -0.00001  -0.00001   2.07364
   R35        2.84639   0.00000   0.00002  -0.00001   0.00000   2.84640
   R36        2.07942   0.00001  -0.00002   0.00001  -0.00001   2.07941
   R37        2.08022   0.00000  -0.00002   0.00000  -0.00002   2.08021
   R38        2.62015   0.00001  -0.00005   0.00001  -0.00003   2.62012
   R39        2.65656  -0.00003   0.00008  -0.00003   0.00005   2.65661
   R40        2.65635  -0.00001   0.00001  -0.00002  -0.00001   2.65634
   R41        2.03514   0.00001  -0.00001   0.00000   0.00000   2.03514
   R42        2.59507   0.00001  -0.00005   0.00000  -0.00004   2.59503
   R43        1.91278   0.00000   0.00000   0.00000   0.00000   1.91278
   R44        2.53224   0.00001   0.00001   0.00001   0.00002   2.53226
   R45        2.03598   0.00000   0.00001   0.00000   0.00001   2.03598
   R46        4.06676  -0.00002  -0.00063  -0.00014  -0.00077   4.06599
   R47        2.91828  -0.00001   0.00008  -0.00001   0.00007   2.91835
   R48        2.07259   0.00000   0.00000   0.00000  -0.00001   2.07258
   R49        2.07229   0.00002  -0.00003   0.00002  -0.00002   2.07227
   R50        2.07056  -0.00001  -0.00001   0.00000  -0.00001   2.07056
   R51        2.84450  -0.00001  -0.00001   0.00001   0.00000   2.84450
   R52        2.07852   0.00000  -0.00002   0.00000  -0.00002   2.07850
   R53        2.07871   0.00000   0.00000   0.00000   0.00000   2.07871
   R54        2.62229   0.00000   0.00000   0.00000   0.00000   2.62228
   R55        2.65346  -0.00001  -0.00007   0.00001  -0.00005   2.65341
   R56        2.64871  -0.00002  -0.00002  -0.00001  -0.00003   2.64868
   R57        2.03589   0.00000   0.00000   0.00000   0.00000   2.03590
   R58        2.60138   0.00000   0.00000   0.00000   0.00000   2.60138
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52698   0.00000   0.00001   0.00000   0.00002   2.52700
   R61        2.03643   0.00000   0.00000   0.00000   0.00000   2.03643
   R62        4.04541  -0.00005  -0.00039  -0.00001  -0.00040   4.04501
   R63        3.83474   0.00003   0.00034   0.00019   0.00053   3.83527
   R64        4.50417   0.00002  -0.00156  -0.00082  -0.00238   4.50179
   R65        4.34296   0.00002   0.00032   0.00040   0.00071   4.34368
   R66        1.86011  -0.00003   0.00025   0.00009   0.00034   1.86045
   R67        2.08406  -0.00003  -0.00235  -0.00090  -0.00326   2.08081
   R68        2.39614   0.00002  -0.00003   0.00003   0.00000   2.39614
   R69        2.58368  -0.00005  -0.00005  -0.00003  -0.00007   2.58361
   R70        2.86855   0.00003   0.00001   0.00002   0.00002   2.86858
   R71        2.76833   0.00000   0.00006   0.00004   0.00009   2.76842
   R72        1.91407   0.00000  -0.00001   0.00000  -0.00001   1.91407
   R73        2.90213   0.00000  -0.00007   0.00003  -0.00004   2.90209
   R74        2.07410   0.00000   0.00002   0.00000   0.00002   2.07412
   R75        2.06954   0.00000  -0.00002   0.00001  -0.00001   2.06953
   R76        2.41250  -0.00004   0.00004  -0.00002   0.00002   2.41252
   R77        2.55040   0.00001   0.00000  -0.00001   0.00000   2.55039
   R78        1.91791   0.00000   0.00001   0.00000   0.00001   1.91792
   R79        2.78923  -0.00004   0.00008  -0.00003   0.00005   2.78928
   R80        2.06895   0.00001  -0.00003   0.00001  -0.00002   2.06894
   R81        2.06332  -0.00001   0.00000  -0.00001  -0.00001   2.06331
   R82        2.07180   0.00001  -0.00001   0.00002   0.00000   2.07180
   R83        2.07203   0.00000  -0.00002   0.00001  -0.00001   2.07202
   R84        2.06860   0.00000   0.00002  -0.00001   0.00001   2.06861
   R85        2.06897   0.00000  -0.00001   0.00000  -0.00001   2.06896
    A1        1.92381   0.00001   0.00003  -0.00001   0.00001   1.92383
    A2        1.93538  -0.00001  -0.00002   0.00002   0.00000   1.93538
    A3        1.95295   0.00000  -0.00002   0.00002   0.00000   1.95295
    A4        1.88822   0.00000   0.00003  -0.00003   0.00000   1.88822
    A5        1.87371  -0.00001   0.00001  -0.00003  -0.00002   1.87370
    A6        1.88741   0.00000  -0.00003   0.00002   0.00000   1.88741
    A7        1.98689  -0.00003   0.00005  -0.00002   0.00003   1.98693
    A8        1.90943   0.00001   0.00003  -0.00001   0.00003   1.90946
    A9        1.90659   0.00000  -0.00007   0.00002  -0.00005   1.90654
   A10        1.88018   0.00000   0.00002  -0.00003   0.00000   1.88018
   A11        1.91955   0.00002   0.00000   0.00002   0.00002   1.91957
   A12        1.85656   0.00000  -0.00004   0.00002  -0.00003   1.85653
   A13        2.30428  -0.00003   0.00007  -0.00003   0.00004   2.30432
   A14        2.14703   0.00002  -0.00006   0.00005  -0.00001   2.14702
   A15        1.83187   0.00001  -0.00001  -0.00002  -0.00003   1.83185
   A16        1.91611  -0.00001   0.00002   0.00001   0.00003   1.91614
   A17        2.24274   0.00000   0.00001  -0.00001   0.00000   2.24274
   A18        2.12424   0.00001  -0.00003   0.00000  -0.00003   2.12421
   A19        1.89594   0.00000   0.00000   0.00002   0.00001   1.89596
   A20        2.19103   0.00001  -0.00002   0.00000  -0.00002   2.19101
   A21        2.19614  -0.00002   0.00002  -0.00002   0.00000   2.19614
   A22        1.92279   0.00000   0.00005  -0.00002   0.00004   1.92283
   A23        2.16202   0.00000  -0.00003   0.00001  -0.00002   2.16200
   A24        2.19836   0.00000  -0.00002   0.00001  -0.00002   2.19834
   A25        1.85806   0.00000  -0.00006   0.00000  -0.00006   1.85800
   A26        2.21890  -0.00002   0.00059   0.00007   0.00066   2.21956
   A27        2.20569   0.00002  -0.00053  -0.00007  -0.00060   2.20509
   A28        1.93549   0.00001  -0.00016   0.00004  -0.00011   1.93537
   A29        1.93455   0.00000   0.00001   0.00000   0.00001   1.93456
   A30        1.93431   0.00000   0.00011  -0.00003   0.00009   1.93439
   A31        1.88914   0.00000  -0.00008   0.00004  -0.00003   1.88910
   A32        1.88568   0.00000   0.00005  -0.00002   0.00004   1.88571
   A33        1.88281   0.00000   0.00006  -0.00004   0.00002   1.88282
   A34        1.97084   0.00002  -0.00006   0.00003  -0.00003   1.97081
   A35        1.91262   0.00000   0.00013  -0.00003   0.00009   1.91271
   A36        1.91150   0.00000  -0.00008   0.00002  -0.00006   1.91143
   A37        1.90066   0.00000  -0.00001   0.00001  -0.00001   1.90066
   A38        1.89051  -0.00001   0.00008  -0.00005   0.00004   1.89054
   A39        1.87519   0.00000  -0.00006   0.00003  -0.00003   1.87516
   A40        1.94232  -0.00002   0.00026  -0.00003   0.00023   1.94255
   A41        1.94086   0.00000   0.00002   0.00002   0.00004   1.94090
   A42        1.90389   0.00000  -0.00003   0.00001  -0.00002   1.90387
   A43        1.90305   0.00001  -0.00018   0.00002  -0.00016   1.90289
   A44        1.88785   0.00000  -0.00002   0.00001  -0.00001   1.88784
   A45        1.88422   0.00000  -0.00006  -0.00003  -0.00009   1.88413
   A46        2.10557  -0.00006  -0.00014  -0.00021  -0.00035   2.10523
   A47        2.04040   0.00004   0.00016   0.00014   0.00030   2.04070
   A48        2.13660   0.00002  -0.00002   0.00008   0.00006   2.13666
   A49        1.81593  -0.00001   0.00111   0.00028   0.00139   1.81731
   A50        1.84123  -0.00001  -0.00097  -0.00034  -0.00131   1.83992
   A51        1.93816  -0.00001  -0.00003   0.00000  -0.00003   1.93813
   A52        1.92251  -0.00001   0.00006  -0.00003   0.00004   1.92255
   A53        1.94207   0.00001   0.00002   0.00000   0.00002   1.94209
   A54        1.88565   0.00001  -0.00003   0.00002  -0.00001   1.88564
   A55        1.89180   0.00000   0.00001  -0.00001   0.00001   1.89180
   A56        1.88175   0.00000  -0.00004   0.00001  -0.00003   1.88172
   A57        1.97657   0.00001  -0.00014   0.00002  -0.00012   1.97645
   A58        1.90128   0.00000   0.00001  -0.00001   0.00000   1.90129
   A59        1.90737   0.00000   0.00008  -0.00001   0.00007   1.90745
   A60        1.90424  -0.00001   0.00012  -0.00003   0.00009   1.90433
   A61        1.91278   0.00000  -0.00006   0.00003  -0.00003   1.91275
   A62        1.85780   0.00000   0.00000  -0.00001   0.00000   1.85779
   A63        2.32108  -0.00002  -0.00011  -0.00001  -0.00012   2.32096
   A64        2.13591   0.00002   0.00013  -0.00001   0.00012   2.13603
   A65        1.82604   0.00000   0.00000   0.00001   0.00001   1.82605
   A66        1.91814   0.00000   0.00000  -0.00002  -0.00002   1.91812
   A67        2.24613   0.00000   0.00011  -0.00001   0.00011   2.24624
   A68        2.11827   0.00000  -0.00012   0.00002  -0.00010   2.11817
   A69        1.90197   0.00001  -0.00001   0.00000   0.00000   1.90196
   A70        2.18845   0.00000  -0.00003   0.00001  -0.00002   2.18843
   A71        2.19233  -0.00001   0.00003  -0.00001   0.00002   2.19235
   A72        1.91683  -0.00001   0.00000  -0.00002  -0.00001   1.91682
   A73        2.18676   0.00001   0.00002  -0.00001   0.00002   2.18678
   A74        2.17883   0.00001  -0.00003   0.00002   0.00000   2.17883
   A75        1.86178   0.00001   0.00001   0.00002   0.00002   1.86180
   A76        2.19972   0.00001   0.00038   0.00005   0.00043   2.20015
   A77        2.19621  -0.00002  -0.00027  -0.00002  -0.00030   2.19592
   A78        1.94205   0.00000  -0.00003   0.00001  -0.00002   1.94203
   A79        1.94038   0.00001  -0.00003   0.00000  -0.00002   1.94035
   A80        1.92532   0.00001  -0.00006   0.00003  -0.00003   1.92529
   A81        1.89018   0.00000   0.00004  -0.00001   0.00003   1.89021
   A82        1.87704   0.00000   0.00000  -0.00001  -0.00001   1.87704
   A83        1.88672  -0.00001   0.00008  -0.00003   0.00006   1.88678
   A84        1.95907   0.00000  -0.00004  -0.00001  -0.00004   1.95903
   A85        1.90791   0.00000   0.00002   0.00000   0.00003   1.90794
   A86        1.90620   0.00000  -0.00006   0.00001  -0.00005   1.90615
   A87        1.91226   0.00000   0.00004   0.00000   0.00004   1.91230
   A88        1.91948   0.00000   0.00002   0.00000   0.00001   1.91950
   A89        1.85603   0.00000   0.00001  -0.00001   0.00001   1.85604
   A90        2.30228   0.00000  -0.00016   0.00001  -0.00015   2.30214
   A91        2.15448   0.00000   0.00016  -0.00002   0.00014   2.15462
   A92        1.82641   0.00000   0.00000   0.00000   0.00001   1.82641
   A93        1.91779   0.00000   0.00000   0.00000  -0.00001   1.91779
   A94        2.24955   0.00000  -0.00002   0.00001  -0.00002   2.24953
   A95        2.11584   0.00000   0.00003   0.00000   0.00003   2.11587
   A96        1.89980   0.00000   0.00002  -0.00001   0.00002   1.89982
   A97        2.19040   0.00000   0.00005  -0.00001   0.00003   2.19044
   A98        2.19286   0.00000  -0.00007   0.00002  -0.00005   2.19281
   A99        1.91548   0.00000  -0.00002   0.00000  -0.00003   1.91546
   A100       2.18945   0.00000   0.00006  -0.00002   0.00004   2.18949
   A101       2.17800   0.00001  -0.00004   0.00002  -0.00002   2.17798
   A102       1.86526   0.00000   0.00000   0.00001   0.00001   1.86527
   A103       2.21193   0.00003   0.00003  -0.00001   0.00002   2.21195
   A104       2.19100  -0.00003   0.00010   0.00001   0.00012   2.19111
   A105       1.71474   0.00000  -0.00037  -0.00001  -0.00037   1.71437
   A106       1.56182  -0.00002  -0.00011  -0.00006  -0.00017   1.56165
   A107       1.68532   0.00001  -0.00069  -0.00022  -0.00091   1.68441
   A108       3.00491  -0.00001   0.00012   0.00005   0.00016   3.00507
   A109       1.66417   0.00001  -0.00018  -0.00007  -0.00025   1.66392
   A110       1.72226  -0.00002   0.00024   0.00018   0.00042   1.72268
   A111       1.61425   0.00001   0.00028   0.00004   0.00031   1.61456
   A112       1.48549   0.00000   0.00066   0.00009   0.00075   1.48624
   A113       2.89531  -0.00001   0.00049   0.00002   0.00051   2.89582
   A114       2.90464   0.00001   0.00004  -0.00004   0.00000   2.90464
   A115       1.44858   0.00001   0.00033   0.00013   0.00045   1.44904
   A116       1.48629   0.00002  -0.00008   0.00002  -0.00007   1.48622
   A117       1.57660   0.00000   0.00040   0.00012   0.00052   1.57712
   A118       1.43452  -0.00002  -0.00018  -0.00017  -0.00035   1.43417
   A119       1.42894  -0.00001  -0.00013   0.00000  -0.00013   1.42881
   A120       2.10739   0.00001   0.00032   0.00038   0.00070   2.10809
   A121       2.17742  -0.00001  -0.00063  -0.00022  -0.00085   2.17657
   A122       1.76567   0.00000  -0.00034  -0.00030  -0.00064   1.76503
   A123       2.08271   0.00000   0.00195   0.00109   0.00305   2.08575
   A124       2.90497  -0.00001  -0.00167  -0.00079  -0.00246   2.90250
   A125       2.13077   0.00003   0.00012   0.00001   0.00013   2.13090
   A126       2.11489  -0.00004  -0.00005  -0.00004  -0.00009   2.11480
   A127       2.03738   0.00000  -0.00008   0.00004  -0.00004   2.03734
   A128       2.29747  -0.00002   0.00087   0.00023   0.00110   2.29857
   A129       2.14506   0.00004   0.00009   0.00005   0.00014   2.14520
   A130       2.07052  -0.00002  -0.00004  -0.00004  -0.00008   2.07044
   A131       2.06730  -0.00001  -0.00007  -0.00001  -0.00008   2.06722
   A132       1.98046   0.00001  -0.00010   0.00008  -0.00002   1.98044
   A133       1.90308   0.00001  -0.00001   0.00001   0.00000   1.90308
   A134       1.90240  -0.00001  -0.00008   0.00002  -0.00006   1.90233
   A135       1.82039  -0.00002   0.00016  -0.00006   0.00010   1.82049
   A136       1.94898   0.00001   0.00006  -0.00003   0.00003   1.94901
   A137       1.90574   0.00000  -0.00002  -0.00003  -0.00005   1.90569
   A138       2.09893  -0.00003  -0.00010   0.00003  -0.00007   2.09886
   A139       2.03109  -0.00001   0.00014  -0.00004   0.00009   2.03118
   A140       2.15104   0.00005  -0.00004   0.00003  -0.00001   2.15103
   A141       2.06972   0.00009   0.00035  -0.00001   0.00034   2.07006
   A142       2.06347  -0.00002   0.00001   0.00000   0.00001   2.06348
   A143       2.16082   0.00004  -0.00018   0.00006  -0.00012   2.16070
   A144       2.03924  -0.00002  -0.00003  -0.00004  -0.00006   2.03918
   A145       1.91441   0.00001  -0.00015   0.00003  -0.00012   1.91429
   A146       1.89488   0.00000   0.00002   0.00001   0.00004   1.89491
   A147       1.90494  -0.00001   0.00002  -0.00005  -0.00004   1.90491
   A148       1.91089   0.00000   0.00003   0.00001   0.00005   1.91093
   A149       1.93007  -0.00001  -0.00006  -0.00002  -0.00009   1.92999
   A150       1.90827   0.00001   0.00014   0.00002   0.00016   1.90843
   A151       1.90471  -0.00003   0.00007  -0.00004   0.00002   1.90473
   A152       1.90404   0.00001   0.00004   0.00000   0.00004   1.90408
   A153       1.97688   0.00001  -0.00002   0.00001  -0.00001   1.97687
   A154       1.87643   0.00001  -0.00004   0.00002  -0.00002   1.87641
   A155       1.89328   0.00001   0.00002   0.00000   0.00002   1.89330
   A156       1.90590   0.00000  -0.00007   0.00001  -0.00005   1.90585
    D1        3.11112  -0.00001  -0.00003  -0.00005  -0.00008   3.11104
    D2        1.00681   0.00000  -0.00012   0.00000  -0.00012   1.00670
    D3       -1.01898   0.00000  -0.00005  -0.00002  -0.00007  -1.01906
    D4        1.02059  -0.00001  -0.00007  -0.00002  -0.00009   1.02050
    D5       -1.08372   0.00001  -0.00016   0.00003  -0.00013  -1.08385
    D6       -3.10951   0.00000  -0.00009   0.00000  -0.00008  -3.10960
    D7       -1.08836  -0.00001  -0.00001  -0.00008  -0.00009  -1.08845
    D8        3.09052   0.00000  -0.00010  -0.00003  -0.00013   3.09039
    D9        1.06472   0.00000  -0.00002  -0.00006  -0.00008   1.06464
   D10       -2.11887   0.00000  -0.00050  -0.00013  -0.00063  -2.11950
   D11        1.02490  -0.00001  -0.00055  -0.00024  -0.00079   1.02411
   D12        0.00176   0.00000  -0.00041  -0.00017  -0.00057   0.00119
   D13       -3.13765  -0.00001  -0.00045  -0.00028  -0.00074  -3.13839
   D14        2.01830   0.00001  -0.00044  -0.00016  -0.00060   2.01770
   D15       -1.12111   0.00000  -0.00049  -0.00027  -0.00076  -1.12188
   D16       -3.13833   0.00000  -0.00023   0.00010  -0.00013  -3.13846
   D17        0.01830  -0.00001   0.00003  -0.00010  -0.00007   0.01823
   D18        0.00137   0.00001  -0.00019   0.00020   0.00001   0.00138
   D19       -3.12519   0.00000   0.00008   0.00000   0.00007  -3.12511
   D20        3.13871   0.00001   0.00026  -0.00014   0.00012   3.13883
   D21       -0.01502   0.00000   0.00004  -0.00007  -0.00003  -0.01505
   D22       -0.00121   0.00000   0.00022  -0.00023  -0.00001  -0.00122
   D23        3.12825  -0.00001   0.00000  -0.00016  -0.00016   3.12809
   D24       -0.00103  -0.00002   0.00009  -0.00010  -0.00001  -0.00104
   D25        3.10703  -0.00001   0.00012  -0.00002   0.00010   3.10713
   D26        3.12673   0.00000  -0.00015   0.00009  -0.00007   3.12666
   D27       -0.04839   0.00001  -0.00012   0.00017   0.00004  -0.04835
   D28        0.00062  -0.00001  -0.00017   0.00018   0.00000   0.00062
   D29       -3.13605   0.00000   0.00022  -0.00001   0.00020  -3.13585
   D30       -3.12880   0.00000   0.00004   0.00011   0.00015  -3.12865
   D31        0.01772   0.00000   0.00044  -0.00008   0.00035   0.01808
   D32        0.00024   0.00002   0.00005  -0.00005   0.00001   0.00025
   D33       -3.10815   0.00001  -0.00001  -0.00013  -0.00014  -3.10829
   D34        3.13678   0.00001  -0.00035   0.00015  -0.00020   3.13658
   D35        0.02839   0.00000  -0.00041   0.00006  -0.00034   0.02805
   D36        1.94848   0.00000   0.00107  -0.00008   0.00099   1.94948
   D37       -2.61215  -0.00002   0.00129   0.00009   0.00139  -2.61077
   D38        0.31679  -0.00001   0.00094  -0.00009   0.00086   0.31765
   D39       -2.32824  -0.00001   0.00392   0.00075   0.00467  -2.32357
   D40       -1.12708   0.00000   0.00120   0.00011   0.00131  -1.12578
   D41       -1.23305   0.00001   0.00113   0.00001   0.00114  -1.23191
   D42        0.48950   0.00000   0.00134   0.00019   0.00154   0.49103
   D43       -2.86474   0.00000   0.00100   0.00001   0.00101  -2.86374
   D44        0.77341   0.00000   0.00397   0.00085   0.00482   0.77823
   D45        1.97456   0.00002   0.00125   0.00021   0.00146   1.97602
   D46        1.06424   0.00000   0.00002  -0.00004  -0.00002   1.06422
   D47       -3.09693   0.00000   0.00006  -0.00004   0.00002  -3.09691
   D48       -1.04401   0.00000   0.00001  -0.00001   0.00000  -1.04401
   D49       -1.03457  -0.00001   0.00022  -0.00012   0.00009  -1.03448
   D50        1.08744  -0.00001   0.00025  -0.00012   0.00013   1.08757
   D51        3.14036  -0.00001   0.00020  -0.00009   0.00011   3.14047
   D52       -3.12464   0.00000   0.00006  -0.00006   0.00001  -3.12464
   D53       -1.00263   0.00000   0.00010  -0.00005   0.00005  -1.00259
   D54        1.05028   0.00000   0.00005  -0.00002   0.00003   1.05031
   D55       -1.08454   0.00000  -0.00007   0.00019   0.00012  -1.08442
   D56        1.04087   0.00000  -0.00010   0.00021   0.00010   1.04098
   D57        3.11707   0.00000  -0.00019   0.00019   0.00000   3.11707
   D58        3.06989  -0.00001  -0.00019   0.00021   0.00003   3.06992
   D59       -1.08788   0.00000  -0.00022   0.00023   0.00001  -1.08787
   D60        0.98832   0.00000  -0.00030   0.00021  -0.00009   0.98823
   D61        1.03563   0.00000  -0.00015   0.00020   0.00004   1.03567
   D62       -3.12215   0.00000  -0.00018   0.00021   0.00003  -3.12212
   D63       -1.04595   0.00000  -0.00026   0.00019  -0.00007  -1.04602
   D64       -0.87606   0.00000   0.00149   0.00022   0.00171  -0.87435
   D65        2.22892   0.00000   0.00144   0.00061   0.00205   2.23097
   D66       -3.02330   0.00000   0.00141   0.00020   0.00161  -3.02168
   D67        0.08168   0.00000   0.00137   0.00059   0.00195   0.08364
   D68        1.21505  -0.00001   0.00160   0.00022   0.00182   1.21687
   D69       -1.96315   0.00000   0.00155   0.00061   0.00216  -1.96100
   D70        2.98784   0.00000  -0.00047   0.00029  -0.00017   2.98767
   D71       -0.11507  -0.00001  -0.00042  -0.00012  -0.00054  -0.11560
   D72       -2.99532   0.00000  -0.00025  -0.00025  -0.00050  -2.99582
   D73        0.10896   0.00000  -0.00030   0.00014  -0.00017   0.10879
   D74       -0.00118   0.00001   0.00137  -0.00005   0.00132   0.00014
   D75        0.22380   0.00001  -0.00024  -0.00114  -0.00138   0.22242
   D76       -1.04749   0.00000  -0.00017   0.00004  -0.00013  -1.04761
   D77        1.07484   0.00000  -0.00010   0.00001  -0.00009   1.07475
   D78        3.09801   0.00000  -0.00005  -0.00001  -0.00005   3.09796
   D79       -3.13575   0.00000  -0.00016   0.00004  -0.00012  -3.13587
   D80       -1.01342   0.00000  -0.00009   0.00000  -0.00009  -1.01350
   D81        1.00975   0.00000  -0.00003  -0.00001  -0.00005   1.00970
   D82        1.06154   0.00000  -0.00016   0.00004  -0.00012   1.06142
   D83       -3.09931   0.00000  -0.00009   0.00001  -0.00009  -3.09940
   D84       -1.07615   0.00000  -0.00004  -0.00001  -0.00005  -1.07619
   D85       -0.08125   0.00000  -0.00210   0.00041  -0.00169  -0.08294
   D86        3.03809  -0.00001  -0.00121   0.00010  -0.00111   3.03698
   D87       -2.20192  -0.00001  -0.00210   0.00042  -0.00168  -2.20360
   D88        0.91742  -0.00001  -0.00122   0.00012  -0.00110   0.91632
   D89        2.05343   0.00000  -0.00214   0.00043  -0.00171   2.05172
   D90       -1.11041   0.00000  -0.00125   0.00013  -0.00113  -1.11154
   D91        3.11781  -0.00001   0.00078  -0.00024   0.00054   3.11835
   D92        0.01505   0.00000   0.00092  -0.00025   0.00066   0.01571
   D93       -0.00436  -0.00001   0.00001   0.00002   0.00003  -0.00433
   D94       -3.10712   0.00000   0.00014   0.00001   0.00015  -3.10697
   D95       -3.11812   0.00000  -0.00061   0.00013  -0.00048  -3.11860
   D96       -0.00693   0.00000  -0.00103   0.00021  -0.00082  -0.00775
   D97        0.00666   0.00000   0.00005  -0.00010  -0.00005   0.00661
   D98        3.11785   0.00000  -0.00036  -0.00002  -0.00039   3.11746
   D99        0.00047   0.00001  -0.00006   0.00006   0.00000   0.00047
   D100      -2.91077   0.00001  -0.00054  -0.00012  -0.00066  -2.91143
   D101       3.10657   0.00001  -0.00018   0.00007  -0.00011   3.10646
   D102       0.19533   0.00000  -0.00065  -0.00011  -0.00077   0.19456
   D103      -0.00672   0.00001  -0.00010   0.00015   0.00005  -0.00667
   D104       3.09459   0.00000  -0.00007   0.00009   0.00002   3.09461
   D105      -3.11782   0.00001   0.00032   0.00006   0.00039  -3.11744
   D106      -0.01652   0.00001   0.00035   0.00001   0.00036  -0.01616
   D107       0.00383  -0.00001   0.00010  -0.00013  -0.00003   0.00380
   D108       2.91566   0.00000   0.00068   0.00007   0.00075   2.91641
   D109      -3.09770  -0.00001   0.00007  -0.00007   0.00000  -3.09770
   D110      -0.18587   0.00000   0.00066   0.00013   0.00078  -0.18509
   D111      -0.47758  -0.00001   0.00028   0.00030   0.00058  -0.47699
   D112      -2.06132   0.00001   0.00042   0.00034   0.00076  -2.06057
   D113       1.21541   0.00001  -0.00040   0.00009  -0.00031   1.21509
   D114       2.78832   0.00000   0.00000   0.00021   0.00021   2.78853
   D115       2.39121   0.00000  -0.00080  -0.00054  -0.00134   2.38987
   D116       2.93720  -0.00001  -0.00034   0.00007  -0.00027   2.93693
   D117       1.35345   0.00001  -0.00020   0.00011  -0.00009   1.35336
   D118      -1.65301   0.00000  -0.00102  -0.00014  -0.00116  -1.65417
   D119      -0.08009   0.00000  -0.00062  -0.00002  -0.00063  -0.08073
   D120      -0.47720  -0.00001  -0.00142  -0.00077  -0.00219  -0.47939
   D121      -1.05674   0.00000  -0.00002   0.00001  -0.00001  -1.05675
   D122       3.10089   0.00000  -0.00007   0.00001  -0.00005   3.10083
   D123       1.07679   0.00000  -0.00006   0.00001  -0.00005   1.07674
   D124       1.05174   0.00000  -0.00001   0.00000  -0.00001   1.05173
   D125      -1.07382   0.00000  -0.00006   0.00000  -0.00005  -1.07387
   D126      -3.09791   0.00000  -0.00005   0.00000  -0.00005  -3.09796
   D127      -3.13858   0.00000   0.00004  -0.00001   0.00003  -3.13854
   D128       1.01905   0.00000  -0.00001   0.00000  -0.00001   1.01904
   D129      -1.00504   0.00000   0.00000   0.00000  -0.00001  -1.00505
   D130       0.37454   0.00000   0.00137   0.00017   0.00155   0.37609
   D131      -2.75919  -0.00001   0.00148   0.00012   0.00160  -2.75760
   D132       2.49762   0.00000   0.00141   0.00017   0.00158   2.49920
   D133      -0.63612  -0.00001   0.00151   0.00012   0.00163  -0.63449
   D134      -1.75143   0.00000   0.00146   0.00017   0.00162  -1.74981
   D135       1.39802  -0.00001   0.00156   0.00011   0.00167   1.39969
   D136      -3.12764   0.00000   0.00003   0.00000   0.00002  -3.12762
   D137       0.01222  -0.00001   0.00007  -0.00014  -0.00007   0.01215
   D138       0.00717   0.00000  -0.00006   0.00004  -0.00002   0.00715
   D139      -3.13615   0.00000  -0.00002  -0.00009  -0.00011  -3.13626
   D140       3.12835   0.00000   0.00002   0.00001   0.00003   3.12839
   D141       0.00274   0.00000  -0.00025   0.00010  -0.00015   0.00260
   D142      -0.00719   0.00000   0.00010  -0.00003   0.00007  -0.00712
   D143      -3.13281   0.00000  -0.00017   0.00006  -0.00011  -3.13291
   D144      -0.00455   0.00000   0.00000  -0.00004  -0.00004  -0.00459
   D145       2.95888   0.00000   0.00078   0.00005   0.00083   2.95971
   D146       3.13862   0.00001  -0.00004   0.00008   0.00004   3.13866
   D147      -0.18114   0.00001   0.00074   0.00017   0.00091  -0.18023
   D148       0.00470   0.00001  -0.00010   0.00000  -0.00010   0.00460
   D149      -3.11329   0.00001   0.00001   0.00004   0.00004  -3.11325
   D150       3.13029   0.00000   0.00016  -0.00009   0.00008   3.13037
   D151       0.01229   0.00000   0.00027  -0.00005   0.00022   0.01252
   D152      -0.00015  -0.00001   0.00006   0.00002   0.00009  -0.00006
   D153      -2.96631  -0.00001  -0.00069  -0.00007  -0.00076  -2.96706
   D154       3.11804  -0.00001  -0.00005  -0.00001  -0.00006   3.11798
   D155       0.15188  -0.00001  -0.00080  -0.00010  -0.00090   0.15098
   D156      -1.44261  -0.00001  -0.00118  -0.00017  -0.00135  -1.44396
   D157       0.27244  -0.00001  -0.00157  -0.00018  -0.00175   0.27069
   D158       2.80337   0.00000   0.00254   0.00122   0.00375   2.80712
   D159       1.73745   0.00000  -0.00087  -0.00009  -0.00096   1.73649
   D160      -3.10788  -0.00001  -0.00102  -0.00010  -0.00112  -3.10900
   D161       1.48904   0.00000  -0.00028  -0.00006  -0.00034   1.48870
   D162      -3.07910   0.00000  -0.00066  -0.00007  -0.00074  -3.07984
   D163      -0.54817   0.00000   0.00344   0.00133   0.00476  -0.54341
   D164      -1.61409   0.00000   0.00003   0.00001   0.00005  -1.61404
   D165      -0.17623  -0.00001  -0.00011   0.00001  -0.00011  -0.17634
   D166       1.74989  -0.00001  -0.00325  -0.00108  -0.00432   1.74556
   D167      -0.57825  -0.00001  -0.00215  -0.00076  -0.00291  -0.58115
   D168       0.02899  -0.00002  -0.00287  -0.00106  -0.00393   0.02506
   D169      -2.29914  -0.00001  -0.00177  -0.00074  -0.00252  -2.30165
   D170      -2.50928  -0.00002  -0.00693  -0.00246  -0.00938  -2.51866
   D171       1.44577  -0.00001  -0.00583  -0.00214  -0.00797   1.43781
   D172      -1.45667  -0.00002  -0.00355  -0.00115  -0.00470  -1.46137
   D173       2.49839  -0.00001  -0.00245  -0.00084  -0.00329   2.49510
   D174      -2.88347  -0.00001  -0.00336  -0.00114  -0.00449  -2.88796
   D175       1.07159  -0.00001  -0.00226  -0.00082  -0.00308   1.06851
   D176       1.00724   0.00000  -0.00151  -0.00084  -0.00236   1.00488
   D177       3.02794  -0.00001   0.00123  -0.00003   0.00121   3.02915
   D178       1.29334   0.00001   0.00112  -0.00019   0.00093   1.29427
   D179      -1.64133   0.00000   0.00148   0.00000   0.00148  -1.63985
   D180      -0.20904  -0.00001   0.00123  -0.00019   0.00105  -0.20799
   D181       2.08732   0.00002  -0.00048   0.00003  -0.00045   2.08687
   D182      -0.78315   0.00001   0.00061   0.00087   0.00147  -0.78168
   D183      -2.64205   0.00000  -0.00059  -0.00002  -0.00061  -2.64265
   D184       0.41333   0.00000   0.00021   0.00026   0.00047   0.41380
   D185      -1.18297   0.00000  -0.00023   0.00011  -0.00013  -1.18310
   D186      -2.38998   0.00000   0.00019   0.00042   0.00060  -2.38938
   D187       0.09740  -0.00001  -0.00089   0.00012  -0.00078   0.09662
   D188       2.11464   0.00000   0.00071   0.00106   0.00177   2.11640
   D189      -0.33689   0.00000   0.00136   0.00107   0.00242  -0.33447
   D190       0.90500  -0.00002  -0.00136   0.00006  -0.00130   0.90370
   D191      -2.25557  -0.00002  -0.00123   0.00002  -0.00121  -2.25679
   D192       0.07645   0.00001   0.00046   0.00012   0.00058   0.07704
   D193      -3.09200   0.00001  -0.00040   0.00018  -0.00022  -3.09222
   D194      -3.04695   0.00001   0.00034   0.00016   0.00050  -3.04645
   D195       0.06778   0.00001  -0.00052   0.00022  -0.00030   0.06747
   D196      -1.14918   0.00000   0.00006   0.00004   0.00010  -1.14908
   D197       0.89636   0.00000   0.00008   0.00004   0.00011   0.89647
   D198       3.02300   0.00000   0.00001   0.00006   0.00007   3.02307
   D199       1.97440   0.00000   0.00018   0.00000   0.00018   1.97459
   D200      -2.26324   0.00000   0.00020   0.00000   0.00020  -2.26305
   D201      -0.13660   0.00001   0.00013   0.00002   0.00015  -0.13645
   D202      -1.44428   0.00001   0.00004   0.00024   0.00027  -1.44401
   D203       0.57623   0.00000   0.00017   0.00022   0.00039   0.57662
   D204       2.65520   0.00000   0.00010   0.00021   0.00030   2.65550
   D205       1.72412   0.00001   0.00090   0.00018   0.00108   1.72520
   D206      -2.53855   0.00000   0.00103   0.00017   0.00120  -2.53735
   D207      -0.45958   0.00000   0.00095   0.00015   0.00110  -0.45847
   D208       0.69405   0.00000   0.00091  -0.00041   0.00050   0.69455
   D209      -2.51526   0.00001   0.00076  -0.00014   0.00062  -2.51465
   D210      -1.37477   0.00000   0.00087  -0.00043   0.00044  -1.37433
   D211       1.69911   0.00001   0.00072  -0.00016   0.00056   1.69967
   D212       2.85252   0.00000   0.00077  -0.00035   0.00042   2.85295
   D213      -0.35678   0.00001   0.00062  -0.00008   0.00054  -0.35625
   D214       1.01243  -0.00002  -0.00096   0.00010  -0.00086   1.01158
   D215      -2.05661  -0.00003  -0.00080  -0.00018  -0.00098  -2.05759
   D216       0.00001   0.00001  -0.00077   0.00019  -0.00059  -0.00057
   D217      -2.92280   0.00000   0.00027   0.00007   0.00034  -2.92246
   D218       3.07167   0.00001  -0.00093   0.00046  -0.00047   3.07120
   D219       0.14885   0.00001   0.00012   0.00035   0.00046   0.14931
   D220      -2.44729   0.00000  -0.00232   0.00017  -0.00215  -2.44944
   D221      -0.35988   0.00001  -0.00235   0.00021  -0.00215  -0.36203
   D222       1.71883   0.00001  -0.00216   0.00022  -0.00195   1.71688
   D223       0.91029  -0.00001  -0.00129   0.00005  -0.00124   0.90905
   D224       2.99770   0.00000  -0.00132   0.00009  -0.00124   2.99646
   D225      -1.20678   0.00001  -0.00113   0.00010  -0.00104  -1.20782
         Item               Value     Threshold  Converged?
 Maximum Force            0.000092     0.000450     YES
 RMS     Force            0.000014     0.000300     YES
 Maximum Displacement     0.006890     0.001800     NO 
 RMS     Displacement     0.001422     0.001200     NO 
 Predicted change in Energy=-4.579819D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.072814    2.537405    3.560171
      2          6           0       -3.330327    1.179445    3.656504
      3          6           0       -2.082567    1.108239    2.820278
      4          6           0       -1.698677    0.255632    1.795967
      5          7           0       -1.004732    1.994911    2.976985
      6          6           0       -0.027761    1.662334    2.070978
      7          7           0       -0.416713    0.609362    1.337176
      8          6           0       -5.230629    0.898531    0.146002
      9          6           0       -5.869401   -0.172285   -0.765586
     10          6           0       -5.241624   -1.575572   -0.578909
     11          6           0       -3.760304   -1.573808   -0.947405
     12          8           0       -3.367343   -1.082017   -2.056883
     13          8           0       -2.910722   -2.067132   -0.041322
     14          6           0       -2.268159    4.240764   -2.980932
     15          6           0       -0.996021    3.841929   -3.757842
     16          6           0       -0.194637    2.765625   -3.073635
     17          6           0       -0.324087    2.123072   -1.851846
     18          7           0        0.931171    2.171116   -3.669817
     19          6           0        1.429750    1.211128   -2.823884
     20          7           0        0.689580    1.159894   -1.708014
     21          6           0        4.684737    4.004407    1.491063
     22          6           0        5.165000    2.624099    1.990090
     23          6           0        4.195477    1.525078    1.646670
     24          6           0        3.202998    1.432972    0.681226
     25          7           0        4.139504    0.300462    2.331323
     26          6           0        3.139050   -0.470153    1.783378
     27          7           0        2.555195    0.193988    0.780274
     28         30           0        0.757823   -0.394731   -0.222081
     29          1           0       -4.986316    2.513719    4.165786
     30          1           0       -4.354860    2.755794    2.524268
     31          1           0       -3.456200    3.368710    3.929406
     32          1           0       -3.997998    0.375581    3.328384
     33          1           0       -3.089337    0.971892    4.710099
     34          1           0       -2.252489   -0.563050    1.358963
     35          1           0       -0.962662    2.757950    3.639882
     36          1           0        0.911521    2.182756    1.982528
     37          1           0       -4.160955    1.010570   -0.072160
     38          1           0       -5.338954    0.625472    1.205448
     39          1           0       -5.712002    1.874720   -0.001528
     40          1           0       -6.947739   -0.234576   -0.561307
     41          1           0       -5.750179    0.121876   -1.815626
     42          1           0       -5.352503   -1.925280    0.453878
     43          1           0       -5.757362   -2.290319   -1.235876
     44          1           0       -2.938032    3.382096   -2.855022
     45          1           0       -2.813801    5.019887   -3.524624
     46          1           0       -2.020597    4.635372   -1.987394
     47          1           0       -1.284704    3.493503   -4.760879
     48          1           0       -0.366539    4.732651   -3.906577
     49          1           0       -1.078805    2.259682   -1.095831
     50          1           0        1.296087    2.395672   -4.586857
     51          1           0        2.265637    0.566017   -3.038144
     52          1           0        4.570298    4.015400    0.400343
     53          1           0        3.722106    4.275315    1.941044
     54          1           0        5.413712    4.778821    1.754538
     55          1           0        5.308918    2.661110    3.079901
     56          1           0        6.151187    2.404867    1.554907
     57          1           0        2.913485    2.156802   -0.062370
     58          1           0        4.729103    0.034881    3.110135
     59          1           0        2.849310   -1.451287    2.122073
     60          8           0       -0.791676   -1.395140   -1.068993
     61          1           0       -1.217875   -1.061173   -1.891232
     62          1           0       -1.664043   -1.781345   -0.519195
     63          6           0        2.983022   -2.516624   -1.581362
     64          8           0        2.281463   -1.467794   -1.706046
     65          7           0        2.442345   -3.709911   -1.190297
     66          6           0        1.005793   -3.900592   -0.975492
     67          6           0        0.527926   -3.439685    0.409299
     68          8           0        0.994906   -2.370713    0.928021
     69          7           0       -0.448320   -4.174770    0.982049
     70          1           0        0.451291   -3.266110   -1.678798
     71          1           0        0.753717   -4.949943   -1.161683
     72          1           0        3.058367   -4.504222   -1.065752
     73          1           0       -0.806111   -4.977042    0.473709
     74          6           0       -1.212691   -3.742697    2.168509
     75          1           0       -1.374375   -4.596816    2.834092
     76          1           0       -0.637835   -2.976369    2.692372
     77          1           0       -2.170898   -3.319830    1.844464
     78          6           0        4.470111   -2.507940   -1.885945
     79          1           0        4.616544   -2.323543   -2.956828
     80          1           0        4.942224   -1.683482   -1.342197
     81          1           0        4.970765   -3.445616   -1.623647
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0969045      0.0727081      0.0659910
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.3830549901 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122063.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000240    0.000140    0.000014 Ang=  -0.03 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581837     A.U. after    8 cycles
            NFock=  8  Conv=0.88D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122063.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000019951    0.000047248    0.000009090
      3        6          -0.000034741   -0.000016268    0.000021831
      4        6           0.000070682   -0.000022789   -0.000055417
      5        7           0.000013094    0.000025629    0.000017904
      6        6           0.000016014   -0.000013633   -0.000016179
      7        7          -0.000086490   -0.000025796    0.000076000
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000002558   -0.000025494    0.000014243
     10        6           0.000034133   -0.000002632   -0.000021163
     11        6          -0.000127556    0.000058363    0.000069065
     12        8           0.000043772   -0.000023581   -0.000037290
     13        8           0.000078012   -0.000020909   -0.000024976
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000006502    0.000022957    0.000011761
     16        6          -0.000046806   -0.000029629   -0.000053315
     17        6          -0.000026016    0.000029315    0.000027935
     18        7           0.000061945   -0.000017010    0.000034619
     19        6          -0.000032051    0.000025618   -0.000009377
     20        7           0.000031124    0.000017349   -0.000038161
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000001454   -0.000006853   -0.000008189
     23        6           0.000030552   -0.000018888    0.000020045
     24        6          -0.000020887    0.000022867   -0.000018408
     25        7          -0.000032145    0.000009827   -0.000021834
     26        6           0.000027754    0.000012259   -0.000014530
     27        7           0.000056999   -0.000048167    0.000024868
     28       30          -0.000093873   -0.000002727    0.000034065
     29        1          -0.000009743   -0.000010300   -0.000007735
     30        1           0.000003572    0.000004379   -0.000003964
     31        1           0.000006579    0.000009316    0.000003100
     32        1          -0.000003261   -0.000019404   -0.000004862
     33        1           0.000011664   -0.000002251   -0.000013318
     34        1          -0.000000414    0.000020649    0.000004862
     35        1          -0.000004650   -0.000012124   -0.000008998
     36        1           0.000010713   -0.000007484   -0.000005470
     37        1           0.000011285   -0.000007846    0.000004363
     38        1           0.000017614   -0.000003597   -0.000003951
     39        1           0.000019519   -0.000014998    0.000003703
     40        1           0.000004174    0.000000299    0.000009250
     41        1          -0.000007506    0.000005388   -0.000000739
     42        1           0.000009224    0.000011959    0.000003991
     43        1          -0.000005683   -0.000005294    0.000002536
     44        1          -0.000005070    0.000010432    0.000002602
     45        1          -0.000010234   -0.000004557   -0.000001335
     46        1           0.000007675    0.000003534   -0.000007902
     47        1          -0.000007257   -0.000001349   -0.000010226
     48        1           0.000012070   -0.000006393   -0.000001079
     49        1           0.000002007   -0.000014188    0.000010960
     50        1          -0.000002730    0.000006157   -0.000004693
     51        1          -0.000000215   -0.000011773    0.000006674
     52        1           0.000002866    0.000000138    0.000003423
     53        1           0.000017172   -0.000006756    0.000009327
     54        1           0.000010857    0.000000687    0.000001539
     55        1           0.000004277   -0.000004010    0.000002891
     56        1          -0.000004230    0.000008507    0.000004307
     57        1           0.000009644    0.000004146    0.000009744
     58        1           0.000001287   -0.000006780    0.000001830
     59        1          -0.000000908   -0.000001395    0.000012426
     60        8           0.000012390   -0.000044544   -0.000068963
     61        1           0.000029561    0.000034823    0.000065521
     62        1          -0.000045869    0.000016609   -0.000014139
     63        6           0.000009156    0.000107109    0.000008640
     64        8           0.000001642   -0.000057443   -0.000006762
     65        7           0.000034338   -0.000054314   -0.000030774
     66        6          -0.000018016    0.000009193   -0.000006763
     67        6          -0.000030595   -0.000025223    0.000067689
     68        8           0.000071561    0.000059372   -0.000078947
     69        7           0.000050663   -0.000021398    0.000021415
     70        1           0.000006470   -0.000002533    0.000006565
     71        1          -0.000001973    0.000002397   -0.000004200
     72        1          -0.000009026   -0.000002759    0.000019298
     73        1          -0.000016081    0.000002943    0.000005979
     74        6          -0.000052795    0.000000142   -0.000023338
     75        1           0.000007726    0.000011642    0.000009066
     76        1           0.000007117    0.000001284   -0.000005471
     77        1           0.000008713    0.000015489   -0.000011199
     78        6          -0.000045669   -0.000027103    0.000010158
     79        1           0.000017975    0.000005089   -0.000006269
     80        1           0.000003052    0.000006704   -0.000004334
     81        1          -0.000000198   -0.000002127   -0.000002212
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000127556 RMS     0.000027459

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000084397 RMS     0.000014214
 Search for a local minimum.
 Step number  51 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50   51
 DE= -5.34D-07 DEPred=-4.58D-07 R= 1.17D+00
 Trust test= 1.17D+00 RLast= 2.66D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00064   0.00097   0.00126   0.00153   0.00209
     Eigenvalues ---    0.00230   0.00231   0.00234   0.00241   0.00307
     Eigenvalues ---    0.00380   0.00412   0.00528   0.00548   0.00574
     Eigenvalues ---    0.00691   0.00734   0.00806   0.00879   0.00927
     Eigenvalues ---    0.00966   0.01162   0.01259   0.01286   0.01394
     Eigenvalues ---    0.01422   0.01595   0.01680   0.01787   0.01805
     Eigenvalues ---    0.01821   0.01891   0.01927   0.01939   0.02042
     Eigenvalues ---    0.02068   0.02173   0.02249   0.02292   0.02336
     Eigenvalues ---    0.02348   0.02461   0.02565   0.02853   0.03050
     Eigenvalues ---    0.03446   0.03570   0.03759   0.03930   0.03954
     Eigenvalues ---    0.04056   0.04129   0.04204   0.04255   0.04400
     Eigenvalues ---    0.04555   0.04848   0.04946   0.05034   0.05254
     Eigenvalues ---    0.05304   0.05341   0.05382   0.05395   0.05420
     Eigenvalues ---    0.05455   0.05499   0.05509   0.05515   0.05546
     Eigenvalues ---    0.05580   0.05672   0.06094   0.06384   0.06916
     Eigenvalues ---    0.07228   0.07477   0.07667   0.07755   0.08243
     Eigenvalues ---    0.08309   0.08712   0.09168   0.09325   0.09481
     Eigenvalues ---    0.09675   0.09734   0.10113   0.10324   0.10893
     Eigenvalues ---    0.12005   0.12179   0.12332   0.12607   0.12907
     Eigenvalues ---    0.13000   0.13119   0.13374   0.14265   0.14413
     Eigenvalues ---    0.14805   0.15775   0.15837   0.15878   0.15945
     Eigenvalues ---    0.15966   0.15987   0.15990   0.15992   0.15995
     Eigenvalues ---    0.15997   0.16001   0.16002   0.16005   0.16007
     Eigenvalues ---    0.16008   0.16010   0.16014   0.16031   0.16033
     Eigenvalues ---    0.16048   0.16051   0.16076   0.16111   0.16133
     Eigenvalues ---    0.16163   0.16224   0.16329   0.16391   0.16509
     Eigenvalues ---    0.16867   0.17264   0.18116   0.20493   0.21091
     Eigenvalues ---    0.21245   0.21543   0.22302   0.22388   0.22522
     Eigenvalues ---    0.22836   0.23025   0.23220   0.23287   0.23662
     Eigenvalues ---    0.23882   0.24068   0.24173   0.24505   0.24972
     Eigenvalues ---    0.25113   0.25496   0.26388   0.27439   0.27693
     Eigenvalues ---    0.28194   0.28237   0.28389   0.28944   0.30293
     Eigenvalues ---    0.30601   0.31042   0.31472   0.31711   0.31958
     Eigenvalues ---    0.32203   0.33546   0.33627   0.33642   0.33665
     Eigenvalues ---    0.33673   0.33784   0.33816   0.33860   0.33904
     Eigenvalues ---    0.33919   0.33936   0.33954   0.33985   0.34004
     Eigenvalues ---    0.34010   0.34036   0.34067   0.34087   0.34091
     Eigenvalues ---    0.34140   0.34167   0.34181   0.34191   0.34199
     Eigenvalues ---    0.34269   0.34304   0.34340   0.34607   0.35039
     Eigenvalues ---    0.35361   0.35756   0.36113   0.36232   0.36339
     Eigenvalues ---    0.36459   0.36528   0.36901   0.37181   0.39094
     Eigenvalues ---    0.39357   0.39987   0.42409   0.42673   0.42960
     Eigenvalues ---    0.45284   0.45354   0.45469   0.45583   0.45591
     Eigenvalues ---    0.45640   0.46069   0.46174   0.48712   0.49188
     Eigenvalues ---    0.49443   0.49899   0.50850   0.52642   0.54485
     Eigenvalues ---    0.54959   0.55089   0.57171   0.65909   0.73842
     Eigenvalues ---    0.768931000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    51   50   49   48   47
 RFO step:  Lambda=-1.87753429D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    2.16746   -1.34464   -0.72254    0.98734   -0.08762
 Iteration  1 RMS(Cart)=  0.00137989 RMS(Int)=  0.00000138
 Iteration  2 RMS(Cart)=  0.00000238 RMS(Int)=  0.00000047
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000047
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00002   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00005   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00004   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00002   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00002   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00002   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248  -0.00002   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00004   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00002   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93037   0.00001  -0.00005   0.00000  -0.00005   2.93032
    R2        2.07166  -0.00002  -0.00002   0.00000  -0.00003   2.07163
    R3        2.07038   0.00000  -0.00006   0.00001  -0.00005   2.07033
    R4        2.07665  -0.00001  -0.00007   0.00000  -0.00006   2.07659
    R5        2.84167  -0.00002  -0.00003  -0.00001  -0.00003   2.84163
    R6        2.06978  -0.00001  -0.00008  -0.00001  -0.00008   2.06970
    R7        2.07974  -0.00002  -0.00010   0.00000  -0.00010   2.07964
    R8        2.62088  -0.00001  -0.00002   0.00002   0.00000   2.62088
    R9        2.65402  -0.00001   0.00002  -0.00003  -0.00001   2.65401
   R10        2.65844   0.00001   0.00009  -0.00004   0.00005   2.65849
   R11        2.04223   0.00001   0.00005   0.00000   0.00004   2.04228
   R12        2.59514   0.00000  -0.00006   0.00003  -0.00003   2.59511
   R13        1.91174   0.00000  -0.00001   0.00000   0.00000   1.91173
   R14        2.53428   0.00000   0.00003   0.00000   0.00002   2.53430
   R15        2.03610   0.00000   0.00001  -0.00001   0.00000   2.03610
   R16        4.14838   0.00000   0.00060  -0.00007   0.00052   4.14890
   R17        2.91880  -0.00002  -0.00003  -0.00002  -0.00005   2.91874
   R18        2.07384  -0.00001   0.00001  -0.00001  -0.00001   2.07383
   R19        2.07760  -0.00001  -0.00001   0.00000  -0.00001   2.07760
   R20        2.07563   0.00002   0.00001   0.00002   0.00003   2.07566
   R21        2.92643   0.00000  -0.00006   0.00001  -0.00005   2.92639
   R22        2.07734   0.00001   0.00001   0.00001   0.00002   2.07736
   R23        2.07296   0.00000   0.00001  -0.00001   0.00000   2.07296
   R24        2.88460   0.00003   0.00006   0.00005   0.00011   2.88472
   R25        2.07116   0.00001   0.00001   0.00001   0.00002   2.07118
   R26        2.07737  -0.00001   0.00001   0.00000   0.00001   2.07738
   R27        2.41058   0.00003   0.00034   0.00009   0.00044   2.41102
   R28        2.52556  -0.00007  -0.00046  -0.00011  -0.00057   2.52499
   R29        4.07414   0.00000  -0.00893  -0.00205  -0.01097   4.06317
   R30        2.58018   0.00003   0.00471   0.00152   0.00623   2.58641
   R31        2.91594   0.00001   0.00002   0.00000   0.00002   2.91596
   R32        2.07172   0.00001   0.00000   0.00000   0.00000   2.07172
   R33        2.07040   0.00000   0.00000  -0.00001   0.00000   2.07040
   R34        2.07364  -0.00001  -0.00003   0.00000  -0.00002   2.07362
   R35        2.84640   0.00000   0.00000  -0.00001  -0.00001   2.84639
   R36        2.07941   0.00001   0.00000   0.00000   0.00001   2.07941
   R37        2.08021   0.00000  -0.00002   0.00001  -0.00001   2.08020
   R38        2.62012   0.00002   0.00000   0.00001   0.00002   2.62013
   R39        2.65661  -0.00005  -0.00002  -0.00004  -0.00006   2.65655
   R40        2.65634  -0.00002  -0.00004  -0.00001  -0.00006   2.65628
   R41        2.03514   0.00001   0.00000   0.00000   0.00000   2.03514
   R42        2.59503   0.00002  -0.00001   0.00001   0.00000   2.59503
   R43        1.91278   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53226   0.00000   0.00003   0.00000   0.00003   2.53229
   R45        2.03598  -0.00001   0.00000  -0.00001  -0.00001   2.03597
   R46        4.06599   0.00000  -0.00072   0.00000  -0.00072   4.06527
   R47        2.91835  -0.00002   0.00004  -0.00003   0.00001   2.91835
   R48        2.07258   0.00000  -0.00001   0.00000  -0.00001   2.07257
   R49        2.07227   0.00002   0.00001   0.00001   0.00002   2.07230
   R50        2.07056   0.00000  -0.00002   0.00000  -0.00001   2.07054
   R51        2.84450  -0.00001  -0.00002   0.00001  -0.00001   2.84448
   R52        2.07850   0.00000  -0.00001   0.00000  -0.00001   2.07849
   R53        2.07871   0.00000   0.00000   0.00000   0.00000   2.07870
   R54        2.62228   0.00000   0.00000   0.00000   0.00000   2.62228
   R55        2.65341   0.00000  -0.00004   0.00001  -0.00003   2.65338
   R56        2.64868  -0.00002  -0.00007   0.00000  -0.00007   2.64861
   R57        2.03590   0.00000   0.00000   0.00000   0.00000   2.03589
   R58        2.60138   0.00000   0.00001   0.00000   0.00001   2.60139
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52700  -0.00001   0.00001  -0.00001   0.00000   2.52700
   R61        2.03643   0.00000   0.00000   0.00000   0.00000   2.03643
   R62        4.04501  -0.00003  -0.00079   0.00011  -0.00068   4.04433
   R63        3.83527   0.00003   0.00044   0.00029   0.00073   3.83600
   R64        4.50179   0.00001  -0.00138  -0.00080  -0.00218   4.49962
   R65        4.34368   0.00002   0.00096  -0.00012   0.00083   4.34451
   R66        1.86045  -0.00003   0.00024   0.00004   0.00029   1.86074
   R67        2.08081   0.00001  -0.00231  -0.00071  -0.00302   2.07779
   R68        2.39614   0.00003   0.00002   0.00001   0.00003   2.39617
   R69        2.58361  -0.00005  -0.00014  -0.00001  -0.00015   2.58345
   R70        2.86858   0.00003   0.00011  -0.00002   0.00008   2.86866
   R71        2.76842  -0.00001   0.00007  -0.00004   0.00003   2.76845
   R72        1.91407   0.00000   0.00000   0.00001   0.00000   1.91407
   R73        2.90209   0.00001  -0.00002   0.00002   0.00001   2.90210
   R74        2.07412   0.00000   0.00002   0.00001   0.00003   2.07415
   R75        2.06953   0.00000   0.00000   0.00000   0.00000   2.06952
   R76        2.41252  -0.00005  -0.00005   0.00000  -0.00005   2.41248
   R77        2.55039   0.00001   0.00002  -0.00002   0.00000   2.55039
   R78        1.91792   0.00000   0.00001  -0.00001   0.00000   1.91792
   R79        2.78928  -0.00004  -0.00004   0.00000  -0.00005   2.78923
   R80        2.06894   0.00001   0.00001   0.00000   0.00002   2.06895
   R81        2.06331  -0.00001  -0.00002   0.00001  -0.00002   2.06329
   R82        2.07180   0.00001   0.00002   0.00000   0.00002   2.07182
   R83        2.07202   0.00000  -0.00001   0.00000  -0.00001   2.07201
   R84        2.06861  -0.00001   0.00000  -0.00001  -0.00001   2.06860
   R85        2.06896   0.00000  -0.00001   0.00000  -0.00001   2.06895
    A1        1.92383   0.00000   0.00005   0.00000   0.00004   1.92387
    A2        1.93538   0.00000  -0.00002   0.00000  -0.00003   1.93535
    A3        1.95295   0.00000   0.00001   0.00001   0.00002   1.95297
    A4        1.88822   0.00000  -0.00002   0.00000  -0.00002   1.88820
    A5        1.87370  -0.00001  -0.00005  -0.00002  -0.00007   1.87363
    A6        1.88741   0.00000   0.00003   0.00001   0.00005   1.88746
    A7        1.98693  -0.00003  -0.00011   0.00002  -0.00009   1.98684
    A8        1.90946   0.00001   0.00002  -0.00001   0.00001   1.90947
    A9        1.90654   0.00001  -0.00003   0.00000  -0.00003   1.90651
   A10        1.88018   0.00000  -0.00002  -0.00003  -0.00005   1.88012
   A11        1.91957   0.00002   0.00013   0.00000   0.00013   1.91970
   A12        1.85653   0.00000   0.00002   0.00002   0.00004   1.85657
   A13        2.30432  -0.00003  -0.00004  -0.00006  -0.00010   2.30422
   A14        2.14702   0.00002   0.00005   0.00002   0.00006   2.14708
   A15        1.83185   0.00002   0.00000   0.00004   0.00004   1.83188
   A16        1.91614  -0.00002   0.00000  -0.00003  -0.00002   1.91612
   A17        2.24274   0.00000   0.00000  -0.00001  -0.00001   2.24273
   A18        2.12421   0.00002   0.00001   0.00004   0.00004   2.12425
   A19        1.89596  -0.00001   0.00002  -0.00004  -0.00002   1.89593
   A20        2.19101   0.00002   0.00004   0.00002   0.00006   2.19108
   A21        2.19614  -0.00001  -0.00006   0.00002  -0.00005   2.19610
   A22        1.92283   0.00000   0.00003   0.00001   0.00004   1.92287
   A23        2.16200   0.00000  -0.00003  -0.00001  -0.00004   2.16196
   A24        2.19834   0.00000   0.00000   0.00001   0.00000   2.19834
   A25        1.85800   0.00001  -0.00004   0.00002  -0.00003   1.85798
   A26        2.21956  -0.00004   0.00044  -0.00008   0.00036   2.21993
   A27        2.20509   0.00003  -0.00038   0.00006  -0.00032   2.20477
   A28        1.93537   0.00002  -0.00002   0.00003   0.00001   1.93539
   A29        1.93456  -0.00001   0.00001  -0.00001   0.00000   1.93456
   A30        1.93439  -0.00001   0.00003  -0.00004   0.00000   1.93439
   A31        1.88910   0.00000   0.00001   0.00004   0.00005   1.88916
   A32        1.88571  -0.00001   0.00001  -0.00001   0.00001   1.88572
   A33        1.88282   0.00000  -0.00004  -0.00002  -0.00007   1.88276
   A34        1.97081   0.00001   0.00006   0.00000   0.00007   1.97088
   A35        1.91271  -0.00001   0.00006  -0.00006   0.00000   1.91271
   A36        1.91143   0.00000  -0.00004   0.00000  -0.00004   1.91140
   A37        1.90066   0.00000  -0.00003   0.00003   0.00001   1.90066
   A38        1.89054  -0.00001  -0.00004  -0.00002  -0.00006   1.89049
   A39        1.87516   0.00001  -0.00002   0.00004   0.00002   1.87518
   A40        1.94255  -0.00002   0.00014   0.00001   0.00015   1.94270
   A41        1.94090   0.00000   0.00007   0.00002   0.00009   1.94099
   A42        1.90387   0.00001  -0.00007   0.00002  -0.00005   1.90381
   A43        1.90289   0.00002  -0.00005   0.00004  -0.00001   1.90288
   A44        1.88784   0.00000  -0.00003  -0.00006  -0.00009   1.88775
   A45        1.88413  -0.00001  -0.00006  -0.00003  -0.00009   1.88404
   A46        2.10523  -0.00007  -0.00041  -0.00017  -0.00058   2.10464
   A47        2.04070   0.00004   0.00034   0.00009   0.00044   2.04113
   A48        2.13666   0.00002   0.00008   0.00006   0.00014   2.13680
   A49        1.81731  -0.00002   0.00098   0.00022   0.00120   1.81851
   A50        1.83992   0.00000  -0.00097  -0.00022  -0.00119   1.83873
   A51        1.93813  -0.00001  -0.00005   0.00001  -0.00004   1.93809
   A52        1.92255  -0.00001   0.00000  -0.00002  -0.00002   1.92252
   A53        1.94209   0.00001   0.00006   0.00000   0.00006   1.94215
   A54        1.88564   0.00001   0.00004   0.00002   0.00006   1.88571
   A55        1.89180   0.00000   0.00000  -0.00001  -0.00001   1.89179
   A56        1.88172   0.00000  -0.00004   0.00000  -0.00004   1.88168
   A57        1.97645   0.00002  -0.00006   0.00002  -0.00004   1.97640
   A58        1.90129   0.00000  -0.00001   0.00003   0.00001   1.90130
   A59        1.90745  -0.00001   0.00005  -0.00005   0.00001   1.90745
   A60        1.90433  -0.00001   0.00003  -0.00003   0.00000   1.90433
   A61        1.91275   0.00001   0.00004   0.00003   0.00007   1.91282
   A62        1.85779   0.00000  -0.00005   0.00000  -0.00005   1.85775
   A63        2.32096  -0.00001  -0.00015   0.00001  -0.00014   2.32082
   A64        2.13603   0.00001   0.00015  -0.00001   0.00014   2.13617
   A65        1.82605   0.00000   0.00000   0.00000   0.00000   1.82605
   A66        1.91812   0.00000  -0.00002   0.00000  -0.00002   1.91811
   A67        2.24624  -0.00001   0.00009  -0.00004   0.00005   2.24629
   A68        2.11817   0.00001  -0.00007   0.00004  -0.00003   2.11814
   A69        1.90196   0.00001   0.00002   0.00001   0.00003   1.90199
   A70        2.18843   0.00000  -0.00001   0.00001  -0.00001   2.18842
   A71        2.19235  -0.00001  -0.00003  -0.00001  -0.00004   2.19231
   A72        1.91682  -0.00001  -0.00005  -0.00001  -0.00005   1.91676
   A73        2.18678   0.00000   0.00004   0.00000   0.00003   2.18681
   A74        2.17883   0.00001   0.00001   0.00002   0.00003   2.17886
   A75        1.86180   0.00000   0.00004   0.00000   0.00004   1.86184
   A76        2.20015  -0.00001   0.00048  -0.00006   0.00042   2.20056
   A77        2.19592   0.00000  -0.00035   0.00005  -0.00030   2.19562
   A78        1.94203   0.00000  -0.00002   0.00001   0.00000   1.94202
   A79        1.94035   0.00001   0.00001   0.00000   0.00001   1.94036
   A80        1.92529   0.00001   0.00000   0.00002   0.00002   1.92530
   A81        1.89021  -0.00001   0.00001  -0.00001   0.00000   1.89021
   A82        1.87704   0.00000   0.00000   0.00000   0.00000   1.87704
   A83        1.88678  -0.00001   0.00000  -0.00003  -0.00002   1.88676
   A84        1.95903  -0.00001  -0.00007   0.00001  -0.00006   1.95897
   A85        1.90794   0.00000   0.00001  -0.00001   0.00000   1.90794
   A86        1.90615   0.00001   0.00000   0.00002   0.00001   1.90616
   A87        1.91230   0.00000   0.00005  -0.00001   0.00004   1.91234
   A88        1.91950   0.00000   0.00000   0.00000   0.00000   1.91950
   A89        1.85604   0.00000   0.00001   0.00000   0.00000   1.85604
   A90        2.30214   0.00001  -0.00013   0.00005  -0.00008   2.30205
   A91        2.15462  -0.00001   0.00013  -0.00004   0.00009   2.15470
   A92        1.82641   0.00000   0.00001  -0.00001   0.00000   1.82641
   A93        1.91779   0.00000  -0.00001   0.00001   0.00000   1.91778
   A94        2.24953   0.00000   0.00000   0.00000   0.00000   2.24953
   A95        2.11587   0.00000   0.00001   0.00000   0.00001   2.11587
   A96        1.89982   0.00000   0.00001   0.00000   0.00001   1.89983
   A97        2.19044  -0.00001   0.00002  -0.00002  -0.00001   2.19043
   A98        2.19281   0.00001  -0.00003   0.00002  -0.00001   2.19280
   A99        1.91546   0.00000  -0.00004   0.00000  -0.00004   1.91542
   A100       2.18949  -0.00001   0.00002  -0.00003  -0.00001   2.18948
   A101       2.17798   0.00001   0.00002   0.00003   0.00005   2.17802
   A102       1.86527   0.00001   0.00003   0.00000   0.00003   1.86531
   A103       2.21195   0.00002   0.00010  -0.00001   0.00009   2.21204
   A104       2.19111  -0.00002   0.00003   0.00000   0.00003   2.19114
   A105       1.71437   0.00001  -0.00009  -0.00011  -0.00020   1.71417
   A106       1.56165  -0.00002  -0.00039  -0.00004  -0.00043   1.56122
   A107       1.68441   0.00002  -0.00064  -0.00010  -0.00074   1.68368
   A108       3.00507  -0.00001  -0.00006   0.00003  -0.00003   3.00504
   A109       1.66392   0.00000  -0.00033  -0.00001  -0.00034   1.66358
   A110       1.72268  -0.00002   0.00034   0.00019   0.00053   1.72321
   A111       1.61456   0.00000   0.00022  -0.00014   0.00008   1.61464
   A112       1.48624  -0.00001   0.00058   0.00000   0.00058   1.48682
   A113       2.89582  -0.00002   0.00028   0.00005   0.00033   2.89615
   A114       2.90464   0.00001   0.00009   0.00005   0.00014   2.90478
   A115       1.44904   0.00002   0.00046   0.00004   0.00050   1.44953
   A116       1.48622   0.00003   0.00021   0.00009   0.00030   1.48651
   A117       1.57712  -0.00001   0.00044   0.00013   0.00057   1.57769
   A118       1.43417  -0.00001  -0.00048  -0.00009  -0.00058   1.43359
   A119       1.42881  -0.00001  -0.00012   0.00016   0.00004   1.42885
   A120       2.10809   0.00002   0.00052   0.00034   0.00085   2.10895
   A121       2.17657   0.00000  -0.00064  -0.00022  -0.00087   2.17570
   A122       1.76503  -0.00001  -0.00056  -0.00021  -0.00077   1.76426
   A123       2.08575   0.00002   0.00252   0.00071   0.00323   2.08898
   A124       2.90250  -0.00001  -0.00203  -0.00050  -0.00253   2.89997
   A125       2.13090   0.00002   0.00021  -0.00004   0.00017   2.13107
   A126       2.11480  -0.00003  -0.00018   0.00001  -0.00018   2.11462
   A127       2.03734   0.00001  -0.00003   0.00004   0.00001   2.03735
   A128       2.29857  -0.00002   0.00078   0.00016   0.00095   2.29952
   A129       2.14520   0.00004   0.00026  -0.00004   0.00022   2.14542
   A130       2.07044  -0.00002  -0.00016   0.00003  -0.00013   2.07032
   A131       2.06722  -0.00001  -0.00011   0.00001  -0.00010   2.06712
   A132       1.98044   0.00001   0.00002  -0.00001   0.00001   1.98044
   A133       1.90308   0.00001   0.00000   0.00000   0.00000   1.90308
   A134       1.90233  -0.00001  -0.00006  -0.00004  -0.00010   1.90223
   A135       1.82049  -0.00001   0.00001   0.00007   0.00008   1.82057
   A136       1.94901   0.00001   0.00006  -0.00002   0.00004   1.94905
   A137       1.90569   0.00000  -0.00004   0.00001  -0.00003   1.90566
   A138       2.09886  -0.00003  -0.00009   0.00002  -0.00007   2.09879
   A139       2.03118  -0.00003   0.00004  -0.00005  -0.00001   2.03117
   A140       2.15103   0.00006   0.00006   0.00001   0.00007   2.15110
   A141       2.07006   0.00008   0.00047   0.00023   0.00070   2.07076
   A142       2.06348  -0.00003  -0.00003   0.00000  -0.00002   2.06346
   A143       2.16070   0.00005  -0.00001   0.00007   0.00007   2.16077
   A144       2.03918  -0.00002  -0.00006   0.00001  -0.00005   2.03912
   A145       1.91429   0.00001   0.00000  -0.00001  -0.00001   1.91428
   A146       1.89491   0.00001   0.00003   0.00002   0.00005   1.89497
   A147       1.90491  -0.00002  -0.00004  -0.00004  -0.00009   1.90482
   A148       1.91093   0.00000   0.00007  -0.00002   0.00005   1.91099
   A149       1.92999  -0.00001  -0.00014   0.00005  -0.00010   1.92989
   A150       1.90843   0.00001   0.00009   0.00000   0.00009   1.90852
   A151       1.90473  -0.00003  -0.00010  -0.00005  -0.00015   1.90458
   A152       1.90408   0.00000   0.00005   0.00001   0.00006   1.90414
   A153       1.97687   0.00001   0.00003   0.00000   0.00003   1.97690
   A154       1.87641   0.00001   0.00001   0.00002   0.00003   1.87644
   A155       1.89330   0.00001   0.00003   0.00000   0.00003   1.89333
   A156       1.90585   0.00000  -0.00002   0.00003   0.00000   1.90585
    D1        3.11104  -0.00001  -0.00023  -0.00005  -0.00028   3.11076
    D2        1.00670   0.00001  -0.00014  -0.00002  -0.00016   1.00654
    D3       -1.01906   0.00000  -0.00016  -0.00003  -0.00019  -1.01925
    D4        1.02050   0.00000  -0.00022  -0.00005  -0.00026   1.02023
    D5       -1.08385   0.00001  -0.00013  -0.00001  -0.00014  -1.08399
    D6       -3.10960   0.00000  -0.00016  -0.00002  -0.00018  -3.10978
    D7       -1.08845  -0.00001  -0.00025  -0.00007  -0.00032  -1.08877
    D8        3.09039   0.00000  -0.00016  -0.00003  -0.00019   3.09019
    D9        1.06464   0.00000  -0.00019  -0.00005  -0.00023   1.06440
   D10       -2.11950   0.00000  -0.00049  -0.00074  -0.00123  -2.12073
   D11        1.02411  -0.00001  -0.00109  -0.00054  -0.00164   1.02247
   D12        0.00119  -0.00001  -0.00054  -0.00077  -0.00131  -0.00012
   D13       -3.13839  -0.00002  -0.00115  -0.00057  -0.00172  -3.14011
   D14        2.01770   0.00001  -0.00046  -0.00076  -0.00122   2.01648
   D15       -1.12188   0.00000  -0.00107  -0.00056  -0.00163  -1.12351
   D16       -3.13846   0.00000  -0.00033   0.00012  -0.00021  -3.13868
   D17        0.01823  -0.00001  -0.00066   0.00010  -0.00056   0.01767
   D18        0.00138   0.00001   0.00019  -0.00005   0.00014   0.00152
   D19       -3.12511   0.00000  -0.00014  -0.00007  -0.00021  -3.12532
   D20        3.13883   0.00001   0.00037   0.00000   0.00037   3.13920
   D21       -0.01505   0.00000   0.00000  -0.00010  -0.00010  -0.01515
   D22       -0.00122   0.00000  -0.00009   0.00015   0.00006  -0.00116
   D23        3.12809  -0.00001  -0.00046   0.00005  -0.00041   3.12768
   D24       -0.00104  -0.00002  -0.00023  -0.00007  -0.00029  -0.00134
   D25        3.10713   0.00000   0.00032  -0.00014   0.00018   3.10731
   D26        3.12666   0.00000   0.00008  -0.00005   0.00003   3.12669
   D27       -0.04835   0.00001   0.00062  -0.00012   0.00050  -0.04785
   D28        0.00062  -0.00001  -0.00005  -0.00021  -0.00025   0.00037
   D29       -3.13585  -0.00001   0.00009  -0.00019  -0.00010  -3.13594
   D30       -3.12865   0.00000   0.00032  -0.00010   0.00022  -3.12842
   D31        0.01808   0.00000   0.00046  -0.00008   0.00038   0.01845
   D32        0.00025   0.00002   0.00016   0.00017   0.00033   0.00058
   D33       -3.10829   0.00000  -0.00039   0.00024  -0.00016  -3.10844
   D34        3.13658   0.00001   0.00002   0.00015   0.00017   3.13675
   D35        0.02805   0.00000  -0.00053   0.00022  -0.00031   0.02773
   D36        1.94948   0.00000   0.00040   0.00033   0.00073   1.95021
   D37       -2.61077  -0.00002   0.00068   0.00052   0.00120  -2.60957
   D38        0.31765  -0.00001   0.00029   0.00050   0.00079   0.31844
   D39       -2.32357  -0.00001   0.00418  -0.00047   0.00372  -2.31985
   D40       -1.12578   0.00000   0.00086   0.00060   0.00146  -1.12431
   D41       -1.23191   0.00001   0.00106   0.00025   0.00131  -1.23060
   D42        0.49103  -0.00001   0.00134   0.00043   0.00178   0.49281
   D43       -2.86374   0.00001   0.00094   0.00042   0.00136  -2.86237
   D44        0.77823   0.00000   0.00484  -0.00055   0.00429   0.78252
   D45        1.97602   0.00002   0.00152   0.00052   0.00204   1.97806
   D46        1.06422   0.00000  -0.00022   0.00002  -0.00020   1.06403
   D47       -3.09691   0.00000  -0.00017   0.00003  -0.00014  -3.09705
   D48       -1.04401   0.00001  -0.00019   0.00005  -0.00014  -1.04415
   D49       -1.03448  -0.00001  -0.00023  -0.00004  -0.00027  -1.03475
   D50        1.08757  -0.00001  -0.00017  -0.00004  -0.00022   1.08736
   D51        3.14047  -0.00001  -0.00019  -0.00002  -0.00021   3.14026
   D52       -3.12464   0.00000  -0.00020   0.00001  -0.00019  -3.12482
   D53       -1.00259   0.00000  -0.00015   0.00002  -0.00013  -1.00272
   D54        1.05031   0.00000  -0.00017   0.00004  -0.00013   1.05018
   D55       -1.08442  -0.00001   0.00002  -0.00023  -0.00022  -1.08464
   D56        1.04098   0.00000   0.00009  -0.00016  -0.00007   1.04091
   D57        3.11707   0.00000   0.00001  -0.00018  -0.00017   3.11691
   D58        3.06992   0.00000  -0.00008  -0.00019  -0.00027   3.06965
   D59       -1.08787   0.00000   0.00000  -0.00012  -0.00012  -1.08799
   D60        0.98823   0.00000  -0.00008  -0.00013  -0.00022   0.98801
   D61        1.03567   0.00000  -0.00002  -0.00024  -0.00026   1.03541
   D62       -3.12212   0.00000   0.00006  -0.00017  -0.00011  -3.12223
   D63       -1.04602   0.00000  -0.00002  -0.00019  -0.00021  -1.04623
   D64       -0.87435   0.00000   0.00110   0.00064   0.00175  -0.87260
   D65        2.23097  -0.00001   0.00143   0.00021   0.00164   2.23261
   D66       -3.02168   0.00000   0.00096   0.00058   0.00154  -3.02014
   D67        0.08364  -0.00001   0.00129   0.00014   0.00143   0.08507
   D68        1.21687   0.00000   0.00108   0.00064   0.00171   1.21858
   D69       -1.96100  -0.00001   0.00141   0.00020   0.00160  -1.95939
   D70        2.98767  -0.00001  -0.00043  -0.00013  -0.00055   2.98712
   D71       -0.11560   0.00000  -0.00078   0.00034  -0.00044  -0.11605
   D72       -2.99582   0.00000  -0.00035   0.00014  -0.00021  -2.99603
   D73        0.10879   0.00000  -0.00003  -0.00031  -0.00034   0.10845
   D74        0.00014   0.00000   0.00171  -0.00030   0.00141   0.00155
   D75        0.22242   0.00001  -0.00047  -0.00056  -0.00103   0.22139
   D76       -1.04761   0.00001  -0.00003   0.00008   0.00004  -1.04757
   D77        1.07475   0.00000  -0.00005   0.00007   0.00003   1.07478
   D78        3.09796   0.00000  -0.00008   0.00006  -0.00002   3.09794
   D79       -3.13587   0.00000  -0.00005   0.00006   0.00001  -3.13586
   D80       -1.01350   0.00000  -0.00006   0.00005  -0.00001  -1.01351
   D81        1.00970  -0.00001  -0.00010   0.00004  -0.00005   1.00965
   D82        1.06142   0.00000  -0.00004   0.00007   0.00004   1.06146
   D83       -3.09940   0.00000  -0.00005   0.00007   0.00002  -3.09938
   D84       -1.07619   0.00000  -0.00008   0.00006  -0.00003  -1.07622
   D85       -0.08294   0.00000  -0.00230   0.00021  -0.00209  -0.08503
   D86        3.03698   0.00000  -0.00200   0.00010  -0.00191   3.03507
   D87       -2.20360   0.00000  -0.00226   0.00018  -0.00208  -2.20568
   D88        0.91632  -0.00001  -0.00197   0.00007  -0.00189   0.91443
   D89        2.05172   0.00000  -0.00225   0.00018  -0.00206   2.04966
   D90       -1.11154   0.00000  -0.00195   0.00007  -0.00188  -1.11342
   D91        3.11835  -0.00001   0.00024  -0.00015   0.00009   3.11844
   D92        0.01571  -0.00001   0.00028  -0.00015   0.00012   0.01584
   D93       -0.00433  -0.00001  -0.00002  -0.00006  -0.00007  -0.00440
   D94       -3.10697  -0.00001   0.00002  -0.00006  -0.00004  -3.10701
   D95       -3.11860   0.00001  -0.00027   0.00019  -0.00008  -3.11867
   D96       -0.00775   0.00000  -0.00078   0.00026  -0.00053  -0.00827
   D97        0.00661   0.00000  -0.00004   0.00011   0.00006   0.00667
   D98        3.11746   0.00000  -0.00056   0.00018  -0.00039   3.11707
   D99        0.00047   0.00001   0.00007  -0.00002   0.00006   0.00052
   D100      -2.91143   0.00000  -0.00062   0.00005  -0.00057  -2.91200
   D101       3.10646   0.00001   0.00005  -0.00002   0.00003   3.10648
   D102       0.19456   0.00000  -0.00064   0.00005  -0.00060   0.19396
   D103      -0.00667   0.00000   0.00009  -0.00012  -0.00003  -0.00670
   D104       3.09461   0.00000   0.00013   0.00004   0.00018   3.09478
   D105      -3.11744   0.00000   0.00061  -0.00019   0.00042  -3.11702
   D106      -0.01616   0.00001   0.00065  -0.00003   0.00063  -0.01553
   D107       0.00380  -0.00001  -0.00010   0.00008  -0.00002   0.00379
   D108       2.91641   0.00000   0.00073   0.00000   0.00073   2.91714
   D109      -3.09770  -0.00001  -0.00014  -0.00008  -0.00022  -3.09792
   D110      -0.18509   0.00000   0.00069  -0.00016   0.00052  -0.18457
   D111      -0.47699  -0.00001   0.00080   0.00047   0.00127  -0.47573
   D112      -2.06057   0.00002   0.00116   0.00050   0.00166  -2.05891
   D113       1.21509   0.00001   0.00018   0.00034   0.00052   1.21562
   D114       2.78853   0.00000   0.00063   0.00049   0.00111   2.78965
   D115       2.38987   0.00000  -0.00147  -0.00074  -0.00221   2.38767
   D116       2.93693  -0.00001  -0.00010   0.00055   0.00045   2.93739
   D117       1.35336   0.00001   0.00026   0.00059   0.00085   1.35420
   D118      -1.65417   0.00001  -0.00072   0.00043  -0.00029  -1.65446
   D119      -0.08073   0.00000  -0.00027   0.00057   0.00030  -0.08043
   D120      -0.47939  -0.00001  -0.00237  -0.00065  -0.00302  -0.48241
   D121      -1.05675   0.00000  -0.00001   0.00001   0.00000  -1.05675
   D122       3.10083   0.00000  -0.00004   0.00003  -0.00001   3.10082
   D123       1.07674   0.00000  -0.00005   0.00002  -0.00003   1.07671
   D124       1.05173   0.00000   0.00000   0.00001   0.00000   1.05173
   D125      -1.07387   0.00000  -0.00003   0.00002  -0.00001  -1.07388
   D126      -3.09796   0.00000  -0.00005   0.00002  -0.00002  -3.09799
   D127      -3.13854   0.00000   0.00000  -0.00001  -0.00001  -3.13855
   D128       1.01904   0.00000  -0.00003   0.00001  -0.00002   1.01902
   D129      -1.00505   0.00000  -0.00004   0.00000  -0.00004  -1.00509
   D130       0.37609   0.00000   0.00047  -0.00002   0.00045   0.37654
   D131      -2.75760  -0.00001   0.00042  -0.00010   0.00032  -2.75728
   D132       2.49920   0.00000   0.00047  -0.00003   0.00044   2.49964
   D133      -0.63449  -0.00001   0.00042  -0.00011   0.00031  -0.63418
   D134      -1.74981   0.00000   0.00052  -0.00004   0.00047  -1.74933
   D135       1.39969  -0.00001   0.00046  -0.00012   0.00034   1.40004
   D136      -3.12762   0.00000   0.00003  -0.00001   0.00002  -3.12761
   D137       0.01215  -0.00001  -0.00027   0.00001  -0.00026   0.01189
   D138       0.00715   0.00000   0.00008   0.00005   0.00013   0.00728
   D139      -3.13626   0.00000  -0.00023   0.00008  -0.00015  -3.13641
   D140       3.12839   0.00000   0.00002  -0.00005  -0.00003   3.12836
   D141       0.00260   0.00000  -0.00004   0.00013   0.00009   0.00269
   D142      -0.00712  -0.00001  -0.00002  -0.00011  -0.00013  -0.00726
   D143      -3.13291   0.00000  -0.00008   0.00007  -0.00001  -3.13293
   D144      -0.00459   0.00000  -0.00010   0.00002  -0.00008  -0.00467
   D145       2.95971   0.00000   0.00085  -0.00002   0.00083   2.96054
   D146       3.13866   0.00001   0.00018   0.00000   0.00017   3.13883
   D147      -0.18023   0.00001   0.00113  -0.00005   0.00108  -0.17915
   D148       0.00460   0.00001  -0.00004   0.00013   0.00009   0.00469
   D149      -3.11325   0.00001   0.00021   0.00004   0.00025  -3.11300
   D150       3.13037   0.00000   0.00002  -0.00005  -0.00003   3.13034
   D151       0.01252   0.00000   0.00027  -0.00014   0.00013   0.01264
   D152      -0.00006  -0.00001   0.00009  -0.00009   0.00000  -0.00007
   D153      -2.96706  -0.00001  -0.00086  -0.00005  -0.00091  -2.96797
   D154       3.11798   0.00000  -0.00017   0.00000  -0.00017   3.11782
   D155       0.15098  -0.00001  -0.00111   0.00004  -0.00107   0.14991
   D156      -1.44396   0.00000  -0.00138   0.00008  -0.00130  -1.44526
   D157       0.27069   0.00000  -0.00153  -0.00004  -0.00156   0.26912
   D158       2.80712   0.00000   0.00324   0.00064   0.00388   2.81101
   D159       1.73649   0.00000  -0.00090  -0.00006  -0.00096   1.73552
   D160      -3.10900  -0.00001  -0.00108   0.00009  -0.00099  -3.10999
   D161       1.48870   0.00000  -0.00026   0.00003  -0.00023   1.48847
   D162      -3.07984   0.00001  -0.00040  -0.00009  -0.00049  -3.08033
   D163      -0.54341   0.00000   0.00436   0.00059   0.00496  -0.53845
   D164      -1.61404   0.00000   0.00022  -0.00011   0.00011  -1.61393
   D165      -0.17634  -0.00001   0.00005   0.00004   0.00008  -0.17626
   D166       1.74556  -0.00001  -0.00347  -0.00104  -0.00451   1.74105
   D167      -0.58115  -0.00001  -0.00224  -0.00081  -0.00305  -0.58420
   D168       0.02506  -0.00002  -0.00336  -0.00091  -0.00427   0.02079
   D169      -2.30165  -0.00002  -0.00213  -0.00068  -0.00281  -2.30446
   D170      -2.51866  -0.00001  -0.00808  -0.00160  -0.00968  -2.52835
   D171       1.43781  -0.00001  -0.00685  -0.00137  -0.00823   1.42958
   D172      -1.46137  -0.00001  -0.00396  -0.00091  -0.00487  -1.46625
   D173       2.49510  -0.00001  -0.00273  -0.00068  -0.00342   2.49168
   D174      -2.88796  -0.00001  -0.00377  -0.00105  -0.00482  -2.89278
   D175       1.06851  -0.00001  -0.00254  -0.00082  -0.00336   1.06515
   D176       1.00488   0.00000  -0.00238   0.00103  -0.00135   1.00353
   D177       3.02915  -0.00001   0.00134   0.00022   0.00157   3.03072
   D178       1.29427   0.00001   0.00113   0.00003   0.00117   1.29544
   D179      -1.63985   0.00000   0.00153   0.00008   0.00160  -1.63825
   D180      -0.20799  -0.00002   0.00097  -0.00003   0.00094  -0.20706
   D181       2.08687   0.00002  -0.00015   0.00040   0.00025   2.08713
   D182      -0.78168   0.00002   0.00210   0.00160   0.00370  -0.77797
   D183      -2.64265   0.00000  -0.00049   0.00037  -0.00012  -2.64278
   D184       0.41380   0.00000   0.00050   0.00050   0.00100   0.41480
   D185      -1.18310   0.00001  -0.00004   0.00038   0.00034  -1.18276
   D186      -2.38938   0.00000   0.00014   0.00038   0.00051  -2.38887
   D187       0.09662   0.00000  -0.00101   0.00013  -0.00089   0.09573
   D188       2.11640   0.00001   0.00099   0.00069   0.00168   2.11809
   D189      -0.33447   0.00000   0.00161   0.00067   0.00227  -0.33219
   D190       0.90370  -0.00001  -0.00123  -0.00002  -0.00126   0.90245
   D191      -2.25679  -0.00001  -0.00144   0.00015  -0.00129  -2.25807
   D192       0.07704   0.00001   0.00044  -0.00002   0.00043   0.07746
   D193      -3.09222   0.00002   0.00003   0.00017   0.00020  -3.09203
   D194      -3.04645   0.00000   0.00064  -0.00018   0.00046  -3.04599
   D195       0.06747   0.00001   0.00023   0.00000   0.00023   0.06770
   D196      -1.14908   0.00000   0.00037  -0.00028   0.00009  -1.14899
   D197       0.89647   0.00000   0.00035  -0.00028   0.00007   0.89654
   D198       3.02307   0.00000   0.00038  -0.00024   0.00014   3.02321
   D199       1.97459   0.00000   0.00018  -0.00012   0.00006   1.97465
   D200      -2.26305   0.00000   0.00016  -0.00012   0.00004  -2.26300
   D201      -0.13645   0.00001   0.00019  -0.00007   0.00011  -0.13634
   D202      -1.44401   0.00001   0.00019  -0.00010   0.00009  -1.44393
   D203       0.57662   0.00000   0.00021  -0.00002   0.00020   0.57681
   D204       2.65550   0.00001   0.00014  -0.00004   0.00010   2.65560
   D205       1.72520   0.00000   0.00060  -0.00029   0.00031   1.72551
   D206      -2.53735  -0.00001   0.00063  -0.00020   0.00042  -2.53693
   D207      -0.45847   0.00000   0.00055  -0.00022   0.00033  -0.45814
   D208       0.69455   0.00000   0.00054   0.00061   0.00114   0.69569
   D209      -2.51465   0.00001   0.00066   0.00027   0.00092  -2.51372
   D210      -1.37433   0.00000   0.00051   0.00057   0.00108  -1.37325
   D211       1.69967   0.00001   0.00063   0.00023   0.00086   1.70053
   D212       2.85295   0.00000   0.00052   0.00053   0.00105   2.85399
   D213      -0.35625   0.00001   0.00064   0.00019   0.00083  -0.35542
   D214       1.01158  -0.00002  -0.00090  -0.00079  -0.00169   1.00989
   D215      -2.05759  -0.00003  -0.00103  -0.00043  -0.00146  -2.05905
   D216      -0.00057   0.00001  -0.00020   0.00047   0.00026  -0.00031
   D217      -2.92246   0.00000   0.00034  -0.00002   0.00032  -2.92213
   D218       3.07120   0.00002  -0.00009   0.00012   0.00003   3.07123
   D219       0.14931   0.00000   0.00046  -0.00037   0.00009   0.14940
   D220      -2.44944   0.00000  -0.00061  -0.00005  -0.00066  -2.45009
   D221      -0.36203   0.00002  -0.00051  -0.00006  -0.00057  -0.36259
   D222       1.71688   0.00002  -0.00041  -0.00007  -0.00048   1.71640
   D223       0.90905  -0.00001  -0.00007  -0.00053  -0.00060   0.90845
   D224       2.99646   0.00000   0.00003  -0.00054  -0.00051   2.99595
   D225      -1.20782   0.00000   0.00013  -0.00055  -0.00042  -1.20824
         Item               Value     Threshold  Converged?
 Maximum Force            0.000085     0.000450     YES
 RMS     Force            0.000014     0.000300     YES
 Maximum Displacement     0.006933     0.001800     NO 
 RMS     Displacement     0.001380     0.001200     NO 
 Predicted change in Energy=-3.778964D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.073227    2.536423    3.560203
      2          6           0       -3.331102    1.178242    3.655756
      3          6           0       -2.083275    1.107403    2.819631
      4          6           0       -1.699017    0.254596    1.795625
      5          7           0       -1.006054    1.994924    2.975730
      6          6           0       -0.029086    1.662682    2.069620
      7          7           0       -0.417301    0.608929    1.336526
      8          6           0       -5.230509    0.899059    0.145129
      9          6           0       -5.868103   -0.171459   -0.767584
     10          6           0       -5.241026   -1.574937   -0.580198
     11          6           0       -3.759141   -1.573823   -0.946663
     12          8           0       -3.364851   -1.080173   -2.055109
     13          8           0       -2.910972   -2.069137   -0.040785
     14          6           0       -2.267005    4.242220   -2.979833
     15          6           0       -0.993701    3.845109   -3.755741
     16          6           0       -0.193051    2.767727   -3.072381
     17          6           0       -0.323021    2.124501   -1.850992
     18          7           0        0.932390    2.172861   -3.668830
     19          6           0        1.430257    1.211958   -2.823514
     20          7           0        0.689931    1.160530   -1.707739
     21          6           0        4.684925    4.003270    1.493528
     22          6           0        5.164593    2.622743    1.992534
     23          6           0        4.194733    1.524155    1.648717
     24          6           0        3.202805    1.432493    0.682667
     25          7           0        4.137762    0.299593    2.333352
     26          6           0        3.137170   -0.470509    1.784927
     27          7           0        2.554267    0.193914    0.781457
     28         30           0        0.758269   -0.394489   -0.222776
     29          1           0       -4.986968    2.512517    4.165423
     30          1           0       -4.354813    2.755653    2.524382
     31          1           0       -3.456616    3.367281    3.930352
     32          1           0       -3.998846    0.374796    3.326911
     33          1           0       -3.090420    0.969940    4.709219
     34          1           0       -2.252305   -0.564798    1.359238
     35          1           0       -0.964484    2.758507    3.638027
     36          1           0        0.909753    2.183820    1.980694
     37          1           0       -4.160430    1.010739   -0.071203
     38          1           0       -5.340793    0.626015    1.204375
     39          1           0       -5.711303    1.875439   -0.003156
     40          1           0       -6.946791   -0.233482   -0.565032
     41          1           0       -5.747106    0.122823   -1.817386
     42          1           0       -5.353493   -1.924857    0.452358
     43          1           0       -5.756104   -2.289411   -1.237988
     44          1           0       -2.936799    3.383129   -2.856412
     45          1           0       -2.812068    5.022212   -3.522852
     46          1           0       -2.020957    4.635085   -1.985242
     47          1           0       -1.280918    3.498451   -4.759815
     48          1           0       -0.364251    4.736255   -3.902026
     49          1           0       -1.077669    2.261128   -1.094909
     50          1           0        1.297334    2.397525   -4.585833
     51          1           0        2.265820    0.566529   -3.038053
     52          1           0        4.570766    4.014411    0.402784
     53          1           0        3.722264    4.274472    1.943295
     54          1           0        5.414077    4.777417    1.757264
     55          1           0        5.308262    2.659591    3.082380
     56          1           0        6.150801    2.403196    1.557564
     57          1           0        2.914010    2.156491   -0.061043
     58          1           0        4.726765    0.033752    3.112526
     59          1           0        2.846606   -1.451393    2.123647
     60          8           0       -0.791866   -1.394587   -1.069813
     61          1           0       -1.221175   -1.058937   -1.889928
     62          1           0       -1.661278   -1.782214   -0.519534
     63          6           0        2.982681   -2.516508   -1.582021
     64          8           0        2.281851   -1.467010   -1.705345
     65          7           0        2.441501   -3.709824   -1.192022
     66          6           0        1.004910   -3.900340   -0.977227
     67          6           0        0.527287   -3.440480    0.408002
     68          8           0        0.993695   -2.371400    0.926951
     69          7           0       -0.448308   -4.176471    0.980696
     70          1           0        0.450477   -3.265210   -1.680027
     71          1           0        0.752669   -4.949496   -1.164281
     72          1           0        3.057233   -4.504516   -1.068453
     73          1           0       -0.805628   -4.978804    0.472122
     74          6           0       -1.212809   -3.745438    2.167421
     75          1           0       -1.374296   -4.600084    2.832389
     76          1           0       -0.638246   -2.979277    2.691831
     77          1           0       -2.171175   -3.322759    1.843566
     78          6           0        4.469678   -2.508367   -1.887283
     79          1           0        4.615568   -2.322823   -2.958039
     80          1           0        4.942587   -1.684823   -1.342851
     81          1           0        4.969909   -3.446640   -1.626345
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968906      0.0727251      0.0659923
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.4696566289 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122063.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000198    0.000114    0.000043 Ang=  -0.03 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581889     A.U. after    8 cycles
            NFock=  8  Conv=0.85D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122063.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000018064    0.000021768    0.000003874
      3        6          -0.000023064   -0.000019495    0.000012859
      4        6           0.000024163   -0.000005825   -0.000041552
      5        7           0.000033775    0.000015570    0.000007066
      6        6          -0.000015486    0.000010358   -0.000015196
      7        7          -0.000047906   -0.000053938    0.000062221
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000002434   -0.000019630    0.000000610
     10        6           0.000022957    0.000008898   -0.000020698
     11        6          -0.000068043    0.000012611    0.000048246
     12        8           0.000038889   -0.000025276   -0.000043226
     13        8           0.000006758   -0.000017405   -0.000019692
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000006014    0.000021261    0.000001101
     16        6          -0.000033517   -0.000024334   -0.000026551
     17        6          -0.000020049    0.000037497    0.000026646
     18        7           0.000051319   -0.000009681    0.000007256
     19        6          -0.000009471    0.000012413    0.000001207
     20        7          -0.000002820    0.000002062   -0.000051881
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000000016   -0.000008433   -0.000005684
     23        6           0.000023684   -0.000022736    0.000001425
     24        6          -0.000007181    0.000011563   -0.000002652
     25        7          -0.000025168    0.000017538   -0.000006360
     26        6           0.000028078    0.000001024   -0.000009788
     27        7           0.000017719   -0.000032028    0.000012364
     28       30          -0.000051846    0.000064964    0.000056304
     29        1          -0.000005226   -0.000003343   -0.000003326
     30        1           0.000013669   -0.000004524   -0.000018622
     31        1          -0.000001787   -0.000010295    0.000013105
     32        1           0.000008058    0.000005138   -0.000014014
     33        1          -0.000006453    0.000008318    0.000011972
     34        1          -0.000000853    0.000007542    0.000004896
     35        1          -0.000000769   -0.000005574   -0.000004764
     36        1           0.000007429   -0.000004077   -0.000004002
     37        1           0.000010176   -0.000006042    0.000003200
     38        1           0.000011515   -0.000000838    0.000001306
     39        1           0.000013604   -0.000010461    0.000001761
     40        1           0.000002749   -0.000001376    0.000010235
     41        1          -0.000007833    0.000007206    0.000000983
     42        1           0.000007744    0.000008360    0.000004379
     43        1          -0.000004601    0.000000955    0.000002073
     44        1          -0.000002073    0.000007387    0.000004425
     45        1          -0.000007502   -0.000003679   -0.000001798
     46        1           0.000001768    0.000001140   -0.000001721
     47        1          -0.000005061    0.000000230   -0.000006757
     48        1           0.000007792   -0.000007386    0.000002384
     49        1           0.000003969   -0.000014213    0.000005571
     50        1          -0.000005180   -0.000001706   -0.000000091
     51        1          -0.000000116   -0.000007867    0.000001986
     52        1           0.000002770   -0.000000735    0.000000859
     53        1           0.000010312   -0.000005033    0.000005936
     54        1           0.000006728   -0.000003029    0.000002730
     55        1           0.000005036   -0.000002238    0.000003862
     56        1          -0.000004834    0.000007108    0.000004609
     57        1           0.000003571    0.000002621    0.000004329
     58        1           0.000001990   -0.000006222    0.000003468
     59        1          -0.000008931   -0.000000716    0.000002397
     60        8          -0.000020809   -0.000079948   -0.000069837
     61        1           0.000035692    0.000052133    0.000052365
     62        1           0.000000376    0.000045039    0.000018232
     63        6          -0.000019994    0.000047440    0.000013716
     64        8           0.000026382   -0.000045099   -0.000009883
     65        7           0.000023079   -0.000021720   -0.000030784
     66        6          -0.000013166    0.000004000   -0.000011944
     67        6          -0.000019470   -0.000024169    0.000043563
     68        8           0.000061949    0.000040914   -0.000053795
     69        7           0.000039523   -0.000016594    0.000008468
     70        1           0.000004176    0.000000186    0.000010893
     71        1           0.000001932    0.000002971   -0.000001943
     72        1          -0.000009311   -0.000001345    0.000016893
     73        1          -0.000014764    0.000001133    0.000004234
     74        6          -0.000029509    0.000018219   -0.000017336
     75        1          -0.000001554    0.000003082    0.000010810
     76        1           0.000008627   -0.000002406   -0.000001557
     77        1           0.000005952    0.000001048   -0.000005299
     78        6          -0.000022654   -0.000018106    0.000011084
     79        1           0.000008580    0.000002587   -0.000008028
     80        1           0.000005715    0.000005547   -0.000003334
     81        1          -0.000001099    0.000001271   -0.000002155
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000079948 RMS     0.000020702

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000049659 RMS     0.000010331
 Search for a local minimum.
 Step number  52 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50   51   52
 DE= -5.18D-07 DEPred=-3.78D-07 R= 1.37D+00
 Trust test= 1.37D+00 RLast= 2.69D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00066   0.00088   0.00118   0.00153   0.00211
     Eigenvalues ---    0.00230   0.00231   0.00234   0.00241   0.00304
     Eigenvalues ---    0.00351   0.00411   0.00529   0.00556   0.00563
     Eigenvalues ---    0.00682   0.00710   0.00804   0.00886   0.00919
     Eigenvalues ---    0.00981   0.01161   0.01260   0.01287   0.01386
     Eigenvalues ---    0.01431   0.01599   0.01670   0.01774   0.01806
     Eigenvalues ---    0.01821   0.01831   0.01915   0.01937   0.02043
     Eigenvalues ---    0.02069   0.02186   0.02253   0.02297   0.02305
     Eigenvalues ---    0.02340   0.02464   0.02583   0.02807   0.03000
     Eigenvalues ---    0.03438   0.03572   0.03728   0.03904   0.03987
     Eigenvalues ---    0.04054   0.04131   0.04194   0.04264   0.04388
     Eigenvalues ---    0.04568   0.04848   0.04963   0.04998   0.05257
     Eigenvalues ---    0.05306   0.05341   0.05382   0.05395   0.05422
     Eigenvalues ---    0.05431   0.05477   0.05508   0.05512   0.05536
     Eigenvalues ---    0.05552   0.05666   0.06085   0.06426   0.06904
     Eigenvalues ---    0.07232   0.07476   0.07635   0.07768   0.08230
     Eigenvalues ---    0.08310   0.08734   0.09163   0.09324   0.09482
     Eigenvalues ---    0.09670   0.09750   0.10147   0.10232   0.10872
     Eigenvalues ---    0.12058   0.12169   0.12323   0.12553   0.12895
     Eigenvalues ---    0.12991   0.13104   0.13369   0.14298   0.14480
     Eigenvalues ---    0.14941   0.15640   0.15841   0.15878   0.15953
     Eigenvalues ---    0.15962   0.15984   0.15989   0.15992   0.15995
     Eigenvalues ---    0.15997   0.16001   0.16002   0.16004   0.16005
     Eigenvalues ---    0.16008   0.16011   0.16012   0.16021   0.16033
     Eigenvalues ---    0.16042   0.16051   0.16071   0.16114   0.16132
     Eigenvalues ---    0.16145   0.16239   0.16309   0.16396   0.16528
     Eigenvalues ---    0.16870   0.17429   0.18168   0.20407   0.20790
     Eigenvalues ---    0.21133   0.21551   0.22255   0.22344   0.22444
     Eigenvalues ---    0.22843   0.22990   0.23153   0.23268   0.23659
     Eigenvalues ---    0.23907   0.24042   0.24296   0.24490   0.24861
     Eigenvalues ---    0.25110   0.25303   0.26152   0.27449   0.27695
     Eigenvalues ---    0.28216   0.28265   0.28390   0.28536   0.29568
     Eigenvalues ---    0.30561   0.30668   0.31041   0.31563   0.31725
     Eigenvalues ---    0.31993   0.33588   0.33631   0.33648   0.33668
     Eigenvalues ---    0.33675   0.33785   0.33817   0.33851   0.33870
     Eigenvalues ---    0.33918   0.33937   0.33961   0.33989   0.34001
     Eigenvalues ---    0.34011   0.34037   0.34054   0.34083   0.34088
     Eigenvalues ---    0.34127   0.34148   0.34175   0.34182   0.34201
     Eigenvalues ---    0.34239   0.34299   0.34304   0.34455   0.34643
     Eigenvalues ---    0.35276   0.35753   0.35835   0.36171   0.36238
     Eigenvalues ---    0.36342   0.36503   0.36544   0.37839   0.39100
     Eigenvalues ---    0.39274   0.39870   0.42348   0.42696   0.42887
     Eigenvalues ---    0.45284   0.45379   0.45444   0.45575   0.45583
     Eigenvalues ---    0.45634   0.45748   0.46152   0.48782   0.49146
     Eigenvalues ---    0.49381   0.49878   0.49955   0.52619   0.54466
     Eigenvalues ---    0.54931   0.55089   0.56980   0.65323   0.73437
     Eigenvalues ---    0.767291000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    52   51   50   49   48
 RFO step:  Lambda=-1.17788962D-07.
 DidBck=F Rises=F RFO-DIIS coefs:    1.76062   -0.63759   -0.93700    1.02196   -0.20799
 Iteration  1 RMS(Cart)=  0.00110324 RMS(Int)=  0.00000075
 Iteration  2 RMS(Cart)=  0.00000131 RMS(Int)=  0.00000021
 Iteration  3 RMS(Cart)=  0.00000000 RMS(Int)=  0.00000021
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00001   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00004   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00002   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00001   0.00000   0.00000   0.00000   0.50969
   X14        7.21039  -0.00001   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00001   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00003   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00002   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00001   0.00000   0.00000   0.00000   4.09468
    R1        2.93032   0.00002  -0.00001   0.00004   0.00003   2.93035
    R2        2.07163  -0.00001  -0.00003   0.00001  -0.00002   2.07161
    R3        2.07033   0.00002  -0.00001   0.00004   0.00003   2.07036
    R4        2.07659   0.00002  -0.00003   0.00005   0.00001   2.07660
    R5        2.84163  -0.00001  -0.00003   0.00002  -0.00001   2.84162
    R6        2.06970   0.00001  -0.00005   0.00004   0.00000   2.06970
    R7        2.07964   0.00002  -0.00006   0.00005  -0.00001   2.07963
    R8        2.62088   0.00000   0.00000   0.00000  -0.00001   2.62087
    R9        2.65401  -0.00002  -0.00003  -0.00001  -0.00003   2.65398
   R10        2.65849   0.00000   0.00003   0.00000   0.00003   2.65852
   R11        2.04228   0.00000   0.00003  -0.00001   0.00003   2.04230
   R12        2.59511   0.00002   0.00000   0.00002   0.00003   2.59514
   R13        1.91173   0.00000   0.00000   0.00000  -0.00001   1.91173
   R14        2.53430  -0.00002   0.00000  -0.00002  -0.00002   2.53428
   R15        2.03610   0.00000   0.00000   0.00000  -0.00001   2.03609
   R16        4.14890   0.00000   0.00027  -0.00003   0.00025   4.14915
   R17        2.91874  -0.00001  -0.00005   0.00002  -0.00002   2.91872
   R18        2.07383  -0.00001  -0.00001  -0.00001  -0.00002   2.07381
   R19        2.07760   0.00000  -0.00001   0.00001   0.00000   2.07760
   R20        2.07566   0.00002   0.00005   0.00000   0.00005   2.07571
   R21        2.92639   0.00000   0.00000  -0.00001  -0.00001   2.92637
   R22        2.07736   0.00000   0.00001   0.00000   0.00002   2.07738
   R23        2.07296   0.00000  -0.00001  -0.00001  -0.00001   2.07294
   R24        2.88472   0.00002   0.00010   0.00002   0.00012   2.88483
   R25        2.07118   0.00001   0.00002   0.00001   0.00003   2.07121
   R26        2.07738   0.00000   0.00000   0.00001   0.00001   2.07739
   R27        2.41102   0.00003   0.00025   0.00007   0.00032   2.41134
   R28        2.52499  -0.00002  -0.00034  -0.00005  -0.00038   2.52460
   R29        4.06317   0.00000  -0.00569  -0.00101  -0.00671   4.05646
   R30        2.58641  -0.00001   0.00311   0.00070   0.00381   2.59022
   R31        2.91596   0.00001   0.00003   0.00001   0.00003   2.91599
   R32        2.07172   0.00001   0.00001   0.00000   0.00001   2.07173
   R33        2.07040   0.00000  -0.00001   0.00000   0.00000   2.07039
   R34        2.07362   0.00000  -0.00002   0.00001  -0.00001   2.07361
   R35        2.84639   0.00000  -0.00002   0.00001  -0.00001   2.84638
   R36        2.07941   0.00001   0.00001   0.00000   0.00001   2.07942
   R37        2.08020   0.00000   0.00000   0.00001   0.00001   2.08020
   R38        2.62013   0.00002   0.00003   0.00001   0.00004   2.62018
   R39        2.65655  -0.00003  -0.00008  -0.00001  -0.00010   2.65645
   R40        2.65628  -0.00001  -0.00006   0.00000  -0.00006   2.65622
   R41        2.03514   0.00000   0.00001  -0.00001   0.00000   2.03514
   R42        2.59503   0.00002   0.00002   0.00001   0.00003   2.59506
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53229   0.00000   0.00002   0.00000   0.00002   2.53231
   R45        2.03597   0.00000  -0.00001   0.00000  -0.00001   2.03596
   R46        4.06527   0.00001  -0.00037   0.00014  -0.00023   4.06504
   R47        2.91835  -0.00001  -0.00002  -0.00001  -0.00003   2.91832
   R48        2.07257   0.00000  -0.00001   0.00000   0.00000   2.07257
   R49        2.07230   0.00001   0.00003   0.00000   0.00003   2.07233
   R50        2.07054   0.00000  -0.00001   0.00001  -0.00001   2.07054
   R51        2.84448   0.00000  -0.00001  -0.00001  -0.00002   2.84447
   R52        2.07849   0.00000   0.00000   0.00000   0.00000   2.07850
   R53        2.07870   0.00000   0.00000   0.00000   0.00000   2.07870
   R54        2.62228   0.00000   0.00000   0.00000  -0.00001   2.62228
   R55        2.65338   0.00001   0.00000   0.00001   0.00000   2.65339
   R56        2.64861  -0.00001  -0.00006   0.00000  -0.00006   2.64855
   R57        2.03589   0.00000   0.00000   0.00000   0.00000   2.03589
   R58        2.60139   0.00000   0.00001   0.00000   0.00001   2.60140
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52700  -0.00001   0.00000  -0.00001  -0.00001   2.52699
   R61        2.03643   0.00000   0.00000   0.00000   0.00000   2.03643
   R62        4.04433  -0.00001  -0.00053   0.00004  -0.00049   4.04384
   R63        3.83600   0.00002   0.00045   0.00011   0.00056   3.83656
   R64        4.49962   0.00000  -0.00101  -0.00026  -0.00128   4.49834
   R65        4.34451   0.00000   0.00060  -0.00049   0.00011   4.34462
   R66        1.86074  -0.00002   0.00013   0.00003   0.00016   1.86089
   R67        2.07779   0.00002  -0.00144  -0.00036  -0.00180   2.07599
   R68        2.39617   0.00003   0.00004   0.00000   0.00004   2.39621
   R69        2.58345  -0.00002  -0.00012   0.00002  -0.00010   2.58336
   R70        2.86866   0.00001   0.00008  -0.00001   0.00007   2.86873
   R71        2.76845   0.00000   0.00001   0.00004   0.00004   2.76849
   R72        1.91407   0.00001   0.00001   0.00000   0.00001   1.91408
   R73        2.90210   0.00001   0.00003   0.00001   0.00004   2.90214
   R74        2.07415   0.00000   0.00002  -0.00001   0.00001   2.07416
   R75        2.06952   0.00000   0.00000   0.00000   0.00001   2.06953
   R76        2.41248  -0.00004  -0.00007   0.00000  -0.00007   2.41241
   R77        2.55039   0.00001   0.00000   0.00000   0.00000   2.55039
   R78        1.91792   0.00000   0.00000   0.00000  -0.00001   1.91791
   R79        2.78923  -0.00002  -0.00009   0.00003  -0.00006   2.78917
   R80        2.06895   0.00001   0.00003  -0.00001   0.00002   2.06897
   R81        2.06329   0.00000  -0.00002   0.00001  -0.00001   2.06328
   R82        2.07182   0.00001   0.00002   0.00001   0.00003   2.07185
   R83        2.07201   0.00001   0.00000   0.00001   0.00002   2.07203
   R84        2.06860  -0.00001  -0.00001  -0.00001  -0.00002   2.06858
   R85        2.06895   0.00000  -0.00001   0.00000   0.00000   2.06895
    A1        1.92387   0.00000   0.00003  -0.00003   0.00001   1.92388
    A2        1.93535   0.00000  -0.00001   0.00002   0.00001   1.93536
    A3        1.95297   0.00000   0.00003   0.00001   0.00004   1.95301
    A4        1.88820   0.00000  -0.00003   0.00000  -0.00004   1.88816
    A5        1.87363   0.00000  -0.00007  -0.00001  -0.00008   1.87355
    A6        1.88746   0.00000   0.00005   0.00001   0.00006   1.88751
    A7        1.98684  -0.00002  -0.00013   0.00002  -0.00010   1.98673
    A8        1.90947   0.00000   0.00000   0.00000   0.00000   1.90947
    A9        1.90651   0.00001   0.00001   0.00000   0.00001   1.90652
   A10        1.88012   0.00000  -0.00006   0.00001  -0.00005   1.88008
   A11        1.91970   0.00001   0.00013  -0.00004   0.00009   1.91979
   A12        1.85657   0.00000   0.00006   0.00000   0.00006   1.85663
   A13        2.30422  -0.00001  -0.00012   0.00000  -0.00012   2.30411
   A14        2.14708   0.00001   0.00008   0.00001   0.00009   2.14717
   A15        1.83188   0.00001   0.00004  -0.00002   0.00002   1.83191
   A16        1.91612  -0.00001  -0.00003   0.00000  -0.00003   1.91608
   A17        2.24273   0.00000  -0.00001   0.00000  -0.00002   2.24271
   A18        2.12425   0.00001   0.00005   0.00001   0.00005   2.12430
   A19        1.89593   0.00000  -0.00002   0.00003   0.00001   1.89594
   A20        2.19108   0.00001   0.00007  -0.00003   0.00004   2.19112
   A21        2.19610   0.00000  -0.00005   0.00000  -0.00006   2.19604
   A22        1.92287  -0.00001   0.00001  -0.00004  -0.00003   1.92284
   A23        2.16196   0.00000  -0.00002   0.00002   0.00000   2.16196
   A24        2.19834   0.00000   0.00001   0.00002   0.00003   2.19837
   A25        1.85798   0.00001   0.00000   0.00003   0.00003   1.85800
   A26        2.21993  -0.00004   0.00007  -0.00022  -0.00015   2.21978
   A27        2.20477   0.00003  -0.00005   0.00018   0.00012   2.20489
   A28        1.93539   0.00001   0.00008   0.00000   0.00007   1.93546
   A29        1.93456   0.00000   0.00000   0.00000  -0.00001   1.93456
   A30        1.93439  -0.00001  -0.00005   0.00000  -0.00005   1.93434
   A31        1.88916   0.00000   0.00007   0.00001   0.00009   1.88924
   A32        1.88572   0.00000  -0.00002   0.00000  -0.00002   1.88570
   A33        1.88276   0.00000  -0.00008   0.00000  -0.00009   1.88267
   A34        1.97088   0.00001   0.00010  -0.00002   0.00008   1.97095
   A35        1.91271  -0.00001  -0.00005   0.00001  -0.00004   1.91267
   A36        1.91140   0.00000   0.00000  -0.00001  -0.00001   1.91139
   A37        1.90066   0.00000   0.00000   0.00002   0.00002   1.90069
   A38        1.89049  -0.00001  -0.00009  -0.00001  -0.00010   1.89038
   A39        1.87518   0.00000   0.00003   0.00002   0.00006   1.87524
   A40        1.94270  -0.00002   0.00002  -0.00001   0.00000   1.94270
   A41        1.94099   0.00000   0.00007   0.00000   0.00007   1.94106
   A42        1.90381   0.00001  -0.00005   0.00004   0.00000   1.90381
   A43        1.90288   0.00001   0.00007  -0.00001   0.00006   1.90293
   A44        1.88775   0.00000  -0.00007   0.00001  -0.00005   1.88770
   A45        1.88404  -0.00001  -0.00005  -0.00003  -0.00008   1.88396
   A46        2.10464  -0.00004  -0.00043  -0.00007  -0.00050   2.10415
   A47        2.04113   0.00002   0.00031   0.00003   0.00034   2.04147
   A48        2.13680   0.00002   0.00012   0.00004   0.00017   2.13697
   A49        1.81851  -0.00003   0.00051   0.00005   0.00056   1.81907
   A50        1.83873   0.00000  -0.00057  -0.00008  -0.00065   1.83808
   A51        1.93809   0.00000  -0.00003   0.00002  -0.00001   1.93808
   A52        1.92252  -0.00001  -0.00005   0.00000  -0.00005   1.92248
   A53        1.94215   0.00000   0.00005  -0.00003   0.00002   1.94217
   A54        1.88571   0.00001   0.00007   0.00002   0.00009   1.88579
   A55        1.89179   0.00000  -0.00002  -0.00001  -0.00002   1.89177
   A56        1.88168   0.00000  -0.00002  -0.00001  -0.00003   1.88165
   A57        1.97640   0.00001   0.00001   0.00001   0.00002   1.97643
   A58        1.90130   0.00000   0.00000   0.00001   0.00002   1.90132
   A59        1.90745  -0.00001  -0.00002  -0.00004  -0.00005   1.90740
   A60        1.90433  -0.00001  -0.00005   0.00001  -0.00004   1.90429
   A61        1.91282   0.00000   0.00009  -0.00001   0.00008   1.91290
   A62        1.85775   0.00000  -0.00005   0.00000  -0.00004   1.85770
   A63        2.32082   0.00000  -0.00009   0.00000  -0.00009   2.32072
   A64        2.13617  -0.00001   0.00008   0.00000   0.00009   2.13626
   A65        1.82605   0.00000   0.00001   0.00000   0.00001   1.82605
   A66        1.91811   0.00000  -0.00002   0.00001  -0.00001   1.91810
   A67        2.24629  -0.00001   0.00000  -0.00003  -0.00003   2.24626
   A68        2.11814   0.00001   0.00002   0.00002   0.00004   2.11818
   A69        1.90199   0.00000   0.00003  -0.00001   0.00002   1.90202
   A70        2.18842   0.00000   0.00001   0.00001   0.00002   2.18844
   A71        2.19231   0.00000  -0.00005   0.00000  -0.00005   2.19226
   A72        1.91676   0.00000  -0.00005   0.00001  -0.00004   1.91673
   A73        2.18681   0.00000   0.00002  -0.00002   0.00001   2.18682
   A74        2.17886   0.00001   0.00004   0.00000   0.00004   2.17889
   A75        1.86184   0.00000   0.00003  -0.00001   0.00002   1.86186
   A76        2.20056  -0.00003   0.00022  -0.00012   0.00010   2.20067
   A77        2.19562   0.00002  -0.00017   0.00009  -0.00008   2.19554
   A78        1.94202   0.00000   0.00001   0.00001   0.00001   1.94204
   A79        1.94036   0.00001   0.00002   0.00000   0.00002   1.94038
   A80        1.92530   0.00001   0.00004   0.00000   0.00004   1.92534
   A81        1.89021   0.00000  -0.00002   0.00000  -0.00001   1.89019
   A82        1.87704   0.00000   0.00000   0.00000   0.00000   1.87704
   A83        1.88676  -0.00001  -0.00006  -0.00001  -0.00006   1.88670
   A84        1.95897  -0.00001  -0.00004  -0.00002  -0.00006   1.95891
   A85        1.90794   0.00000  -0.00001   0.00000  -0.00001   1.90793
   A86        1.90616   0.00001   0.00004   0.00002   0.00005   1.90622
   A87        1.91234   0.00000   0.00002  -0.00001   0.00001   1.91235
   A88        1.91950   0.00000   0.00000   0.00001   0.00001   1.91951
   A89        1.85604   0.00000   0.00000   0.00000   0.00000   1.85605
   A90        2.30205   0.00001  -0.00002   0.00001  -0.00001   2.30204
   A91        2.15470  -0.00001   0.00002  -0.00001   0.00001   2.15471
   A92        1.82641   0.00000   0.00000   0.00000   0.00000   1.82641
   A93        1.91778   0.00000   0.00000   0.00000   0.00000   1.91778
   A94        2.24953   0.00000   0.00001   0.00000   0.00001   2.24954
   A95        2.11587   0.00000  -0.00001   0.00000  -0.00001   2.11586
   A96        1.89983   0.00000   0.00000  -0.00001  -0.00001   1.89982
   A97        2.19043   0.00000  -0.00002   0.00000  -0.00003   2.19041
   A98        2.19280   0.00001   0.00002   0.00001   0.00003   2.19283
   A99        1.91542   0.00000  -0.00003   0.00001  -0.00002   1.91540
   A100       2.18948  -0.00001  -0.00003  -0.00003  -0.00006   2.18942
   A101       2.17802   0.00001   0.00006   0.00002   0.00008   2.17810
   A102       1.86531   0.00000   0.00003   0.00000   0.00003   1.86533
   A103       2.21204   0.00001   0.00008  -0.00005   0.00003   2.21207
   A104       2.19114  -0.00001  -0.00002   0.00004   0.00002   2.19115
   A105       1.71417   0.00002   0.00000  -0.00015  -0.00014   1.71402
   A106       1.56122  -0.00002  -0.00036  -0.00004  -0.00040   1.56082
   A107       1.68368   0.00002  -0.00031   0.00005  -0.00026   1.68342
   A108       3.00504  -0.00001  -0.00011  -0.00001  -0.00012   3.00492
   A109       1.66358   0.00000  -0.00023   0.00007  -0.00016   1.66343
   A110       1.72321  -0.00001   0.00032   0.00013   0.00045   1.72366
   A111       1.61464   0.00000  -0.00003  -0.00023  -0.00026   1.61439
   A112       1.48682  -0.00002   0.00022  -0.00009   0.00014   1.48696
   A113       2.89615  -0.00002   0.00006  -0.00001   0.00005   2.89620
   A114       2.90478   0.00001   0.00011   0.00010   0.00022   2.90500
   A115       1.44953   0.00002   0.00030  -0.00006   0.00025   1.44978
   A116       1.48651   0.00002   0.00034   0.00017   0.00050   1.48702
   A117       1.57769  -0.00001   0.00032   0.00010   0.00042   1.57811
   A118       1.43359  -0.00001  -0.00045  -0.00005  -0.00051   1.43309
   A119       1.42885   0.00000   0.00008   0.00021   0.00028   1.42914
   A120       2.10895   0.00003   0.00050   0.00027   0.00078   2.10972
   A121       2.17570  -0.00001  -0.00041  -0.00030  -0.00070   2.17500
   A122       1.76426  -0.00002  -0.00048  -0.00007  -0.00055   1.76372
   A123       2.08898   0.00004   0.00182   0.00037   0.00218   2.09117
   A124       2.89997  -0.00001  -0.00138  -0.00034  -0.00171   2.89826
   A125       2.13107   0.00001   0.00013  -0.00005   0.00009   2.13116
   A126       2.11462  -0.00002  -0.00016   0.00002  -0.00014   2.11448
   A127       2.03735   0.00001   0.00003   0.00002   0.00005   2.03740
   A128       2.29952  -0.00001   0.00043  -0.00005   0.00038   2.29990
   A129       2.14542   0.00002   0.00019  -0.00002   0.00017   2.14560
   A130       2.07032  -0.00001  -0.00011   0.00000  -0.00011   2.07021
   A131       2.06712  -0.00001  -0.00007   0.00001  -0.00006   2.06706
   A132       1.98044   0.00000   0.00005   0.00004   0.00008   1.98053
   A133       1.90308   0.00001   0.00002  -0.00002   0.00000   1.90308
   A134       1.90223   0.00000  -0.00006   0.00004  -0.00003   1.90221
   A135       1.82057  -0.00001   0.00000  -0.00006  -0.00007   1.82050
   A136       1.94905   0.00000   0.00002   0.00001   0.00003   1.94908
   A137       1.90566   0.00000  -0.00002  -0.00001  -0.00003   1.90564
   A138       2.09879  -0.00002  -0.00003   0.00000  -0.00003   2.09875
   A139       2.03117  -0.00002  -0.00006   0.00005  -0.00001   2.03116
   A140       2.15110   0.00003   0.00008  -0.00004   0.00004   2.15115
   A141       2.07076   0.00005   0.00050   0.00029   0.00079   2.07155
   A142       2.06346  -0.00002  -0.00003   0.00000  -0.00003   2.06343
   A143       2.16077   0.00003   0.00012  -0.00002   0.00010   2.16087
   A144       2.03912  -0.00001  -0.00004   0.00005   0.00001   2.03913
   A145       1.91428   0.00001   0.00007  -0.00001   0.00006   1.91434
   A146       1.89497   0.00000   0.00003   0.00000   0.00003   1.89500
   A147       1.90482  -0.00001  -0.00009   0.00003  -0.00005   1.90477
   A148       1.91099   0.00000   0.00004  -0.00003   0.00001   1.91100
   A149       1.92989   0.00000  -0.00007   0.00006  -0.00001   1.92988
   A150       1.90852   0.00000   0.00001  -0.00005  -0.00004   1.90848
   A151       1.90458  -0.00001  -0.00019   0.00006  -0.00013   1.90445
   A152       1.90414   0.00000   0.00005  -0.00005   0.00001   1.90415
   A153       1.97690   0.00000   0.00005  -0.00001   0.00003   1.97693
   A154       1.87644   0.00001   0.00004   0.00000   0.00004   1.87648
   A155       1.89333   0.00000   0.00003  -0.00002   0.00001   1.89334
   A156       1.90585   0.00000   0.00002   0.00002   0.00004   1.90589
    D1        3.11076   0.00000  -0.00025   0.00005  -0.00020   3.11056
    D2        1.00654   0.00000  -0.00010   0.00003  -0.00007   1.00647
    D3       -1.01925   0.00000  -0.00017   0.00002  -0.00014  -1.01939
    D4        1.02023   0.00000  -0.00022   0.00006  -0.00017   1.02007
    D5       -1.08399   0.00001  -0.00007   0.00003  -0.00004  -1.08402
    D6       -3.10978   0.00000  -0.00014   0.00003  -0.00011  -3.10989
    D7       -1.08877  -0.00001  -0.00030   0.00003  -0.00027  -1.08904
    D8        3.09019   0.00000  -0.00014   0.00000  -0.00014   3.09005
    D9        1.06440   0.00000  -0.00021   0.00000  -0.00021   1.06419
   D10       -2.12073   0.00000  -0.00071  -0.00050  -0.00121  -2.12194
   D11        1.02247   0.00000  -0.00113  -0.00039  -0.00152   1.02095
   D12       -0.00012   0.00000  -0.00083  -0.00048  -0.00131  -0.00143
   D13       -3.14011  -0.00001  -0.00125  -0.00037  -0.00162   3.14145
   D14        2.01648   0.00000  -0.00073  -0.00049  -0.00122   2.01526
   D15       -1.12351   0.00000  -0.00115  -0.00039  -0.00153  -1.12504
   D16       -3.13868   0.00000  -0.00013   0.00009  -0.00005  -3.13872
   D17        0.01767   0.00000  -0.00060   0.00015  -0.00045   0.01721
   D18        0.00152   0.00001   0.00023   0.00000   0.00022   0.00175
   D19       -3.12532   0.00000  -0.00024   0.00005  -0.00018  -3.12550
   D20        3.13920   0.00000   0.00030  -0.00021   0.00008   3.13928
   D21       -0.01515   0.00000  -0.00009  -0.00009  -0.00018  -0.01533
   D22       -0.00116   0.00000  -0.00002  -0.00013  -0.00016  -0.00131
   D23        3.12768  -0.00001  -0.00041  -0.00001  -0.00042   3.12726
   D24       -0.00134   0.00000  -0.00035   0.00014  -0.00021  -0.00155
   D25        3.10731   0.00000   0.00013  -0.00020  -0.00007   3.10724
   D26        3.12669   0.00000   0.00008   0.00009   0.00016   3.12685
   D27       -0.04785   0.00001   0.00056  -0.00026   0.00030  -0.04754
   D28        0.00037   0.00000  -0.00020   0.00023   0.00003   0.00039
   D29       -3.13594   0.00000  -0.00017   0.00007  -0.00011  -3.13605
   D30       -3.12842   0.00000   0.00019   0.00010   0.00029  -3.12813
   D31        0.01845   0.00000   0.00021  -0.00006   0.00015   0.01860
   D32        0.00058   0.00000   0.00033  -0.00022   0.00011   0.00069
   D33       -3.10844   0.00000  -0.00015   0.00012  -0.00002  -3.10846
   D34        3.13675   0.00001   0.00031  -0.00006   0.00025   3.13700
   D35        0.02773   0.00000  -0.00017   0.00029   0.00012   0.02785
   D36        1.95021   0.00000   0.00013   0.00052   0.00066   1.95086
   D37       -2.60957  -0.00002   0.00041   0.00064   0.00105  -2.60851
   D38        0.31844   0.00000   0.00021   0.00076   0.00098   0.31941
   D39       -2.31985  -0.00001   0.00159  -0.00143   0.00016  -2.31969
   D40       -1.12431   0.00001   0.00072   0.00081   0.00152  -1.12279
   D41       -1.23060   0.00001   0.00071   0.00011   0.00082  -1.22978
   D42        0.49281  -0.00001   0.00099   0.00023   0.00122   0.49402
   D43       -2.86237   0.00000   0.00079   0.00035   0.00114  -2.86123
   D44        0.78252   0.00000   0.00217  -0.00184   0.00032   0.78285
   D45        1.97806   0.00001   0.00129   0.00039   0.00169   1.97975
   D46        1.06403   0.00000  -0.00022   0.00003  -0.00018   1.06384
   D47       -3.09705   0.00000  -0.00018   0.00005  -0.00013  -3.09719
   D48       -1.04415   0.00001  -0.00017   0.00008  -0.00009  -1.04425
   D49       -1.03475  -0.00001  -0.00036   0.00002  -0.00034  -1.03508
   D50        1.08736  -0.00001  -0.00033   0.00004  -0.00029   1.08707
   D51        3.14026   0.00000  -0.00031   0.00007  -0.00025   3.14001
   D52       -3.12482   0.00000  -0.00022   0.00003  -0.00019  -3.12501
   D53       -1.00272   0.00000  -0.00019   0.00005  -0.00014  -1.00286
   D54        1.05018   0.00000  -0.00017   0.00007  -0.00010   1.05008
   D55       -1.08464  -0.00001  -0.00017   0.00023   0.00007  -1.08457
   D56        1.04091   0.00000  -0.00002   0.00021   0.00019   1.04109
   D57        3.11691   0.00000  -0.00007   0.00020   0.00013   3.11704
   D58        3.06965   0.00000  -0.00017   0.00023   0.00005   3.06970
   D59       -1.08799   0.00000  -0.00002   0.00020   0.00017  -1.08781
   D60        0.98801   0.00000  -0.00007   0.00019   0.00012   0.98813
   D61        1.03541   0.00000  -0.00017   0.00020   0.00003   1.03544
   D62       -3.12223   0.00000  -0.00002   0.00017   0.00015  -3.12208
   D63       -1.04623   0.00000  -0.00007   0.00016   0.00009  -1.04614
   D64       -0.87260  -0.00001   0.00076   0.00039   0.00115  -0.87145
   D65        2.23261   0.00000   0.00075   0.00064   0.00140   2.23400
   D66       -3.02014   0.00000   0.00062   0.00041   0.00102  -3.01912
   D67        0.08507   0.00000   0.00060   0.00066   0.00127   0.08634
   D68        1.21858   0.00000   0.00068   0.00044   0.00112   1.21970
   D69       -1.95939   0.00000   0.00066   0.00070   0.00136  -1.95803
   D70        2.98712   0.00000  -0.00036   0.00009  -0.00028   2.98684
   D71       -0.11605   0.00000  -0.00035  -0.00019  -0.00054  -0.11659
   D72       -2.99603   0.00000  -0.00005  -0.00022  -0.00027  -2.99630
   D73        0.10845   0.00000  -0.00008   0.00004  -0.00004   0.10842
   D74        0.00155   0.00000   0.00084   0.00029   0.00113   0.00268
   D75        0.22139   0.00001  -0.00050   0.00021  -0.00029   0.22110
   D76       -1.04757   0.00000   0.00010   0.00009   0.00018  -1.04738
   D77        1.07478   0.00000   0.00004   0.00012   0.00016   1.07494
   D78        3.09794   0.00000  -0.00002   0.00011   0.00009   3.09803
   D79       -3.13586   0.00000   0.00006   0.00005   0.00011  -3.13575
   D80       -1.01351   0.00000   0.00001   0.00008   0.00009  -1.01342
   D81        1.00965   0.00000  -0.00005   0.00007   0.00002   1.00967
   D82        1.06146   0.00000   0.00009   0.00007   0.00016   1.06162
   D83       -3.09938   0.00000   0.00004   0.00011   0.00014  -3.09924
   D84       -1.07622   0.00000  -0.00002   0.00010   0.00007  -1.07615
   D85       -0.08503   0.00000  -0.00115  -0.00058  -0.00173  -0.08676
   D86        3.03507   0.00000  -0.00132  -0.00057  -0.00189   3.03318
   D87       -2.20568   0.00000  -0.00113  -0.00061  -0.00174  -2.20742
   D88        0.91443   0.00000  -0.00130  -0.00060  -0.00191   0.91252
   D89        2.04966   0.00000  -0.00110  -0.00062  -0.00171   2.04794
   D90       -1.11342   0.00000  -0.00127  -0.00061  -0.00188  -1.11530
   D91        3.11844  -0.00001  -0.00023   0.00004  -0.00019   3.11825
   D92        0.01584  -0.00001  -0.00026   0.00005  -0.00021   0.01562
   D93       -0.00440   0.00000  -0.00008   0.00003  -0.00005  -0.00445
   D94       -3.10701  -0.00001  -0.00011   0.00004  -0.00007  -3.10707
   D95       -3.11867   0.00000   0.00018  -0.00006   0.00011  -3.11856
   D96       -0.00827   0.00000  -0.00011   0.00007  -0.00004  -0.00832
   D97        0.00667   0.00000   0.00004  -0.00006  -0.00001   0.00666
   D98        3.11707   0.00000  -0.00025   0.00007  -0.00017   3.11690
   D99        0.00052   0.00000   0.00009   0.00000   0.00009   0.00062
   D100      -2.91200   0.00000  -0.00028   0.00018  -0.00010  -2.91210
   D101       3.10648   0.00001   0.00012  -0.00001   0.00011   3.10659
   D102       0.19396   0.00000  -0.00025   0.00016  -0.00009   0.19387
   D103      -0.00670   0.00000   0.00001   0.00006   0.00007  -0.00663
   D104       3.09478   0.00000   0.00019   0.00006   0.00025   3.09504
   D105      -3.11702   0.00000   0.00030  -0.00007   0.00023  -3.11678
   D106      -0.01553   0.00000   0.00048  -0.00007   0.00041  -0.01512
   D107       0.00379   0.00000  -0.00006  -0.00004  -0.00010   0.00368
   D108       2.91714  -0.00001   0.00037  -0.00025   0.00013   2.91727
   D109      -3.09792   0.00000  -0.00024  -0.00004  -0.00028  -3.09820
   D110      -0.18457  -0.00001   0.00020  -0.00025  -0.00005  -0.18462
   D111      -0.47573  -0.00001   0.00091   0.00043   0.00134  -0.47438
   D112      -2.05891   0.00002   0.00123   0.00047   0.00171  -2.05720
   D113       1.21562   0.00001   0.00059   0.00044   0.00103   1.21665
   D114       2.78965   0.00000   0.00092   0.00056   0.00148   2.79113
   D115       2.38767   0.00000  -0.00164  -0.00076  -0.00241   2.38526
   D116       2.93739  -0.00001   0.00044   0.00065   0.00109   2.93848
   D117       1.35420   0.00001   0.00075   0.00070   0.00145   1.35566
   D118      -1.65446   0.00001   0.00011   0.00066   0.00078  -1.65368
   D119      -0.08043   0.00000   0.00045   0.00078   0.00123  -0.07920
   D120      -0.48241  -0.00001  -0.00212  -0.00054  -0.00266  -0.48507
   D121      -1.05675   0.00000   0.00000   0.00000   0.00000  -1.05675
   D122       3.10082   0.00000   0.00001   0.00003   0.00004   3.10086
   D123       1.07671   0.00000   0.00000   0.00001   0.00001   1.07672
   D124       1.05173   0.00000   0.00000   0.00000   0.00001   1.05174
   D125      -1.07388   0.00000   0.00001   0.00003   0.00004  -1.07384
   D126      -3.09799   0.00000   0.00000   0.00002   0.00001  -3.09797
   D127      -3.13855   0.00000  -0.00003   0.00000  -0.00003  -3.13858
   D128       1.01902   0.00000  -0.00002   0.00002   0.00000   1.01902
   D129      -1.00509   0.00000  -0.00004   0.00001  -0.00003  -1.00511
   D130       0.37654   0.00000  -0.00034  -0.00019  -0.00053   0.37601
   D131      -2.75728   0.00000  -0.00050  -0.00009  -0.00059  -2.75787
   D132       2.49964   0.00000  -0.00036  -0.00022  -0.00058   2.49907
   D133      -0.63418  -0.00001  -0.00052  -0.00011  -0.00064  -0.63481
   D134      -1.74933  -0.00001  -0.00035  -0.00021  -0.00056  -1.74989
   D135       1.40004  -0.00001  -0.00051  -0.00011  -0.00062   1.39941
   D136      -3.12761   0.00000   0.00002   0.00002   0.00005  -3.12756
   D137       0.01189   0.00000  -0.00028   0.00010  -0.00018   0.01171
   D138       0.00728   0.00000   0.00016  -0.00007   0.00010   0.00738
   D139      -3.13641   0.00000  -0.00014   0.00001  -0.00013  -3.13654
   D140       3.12836   0.00000  -0.00005   0.00002  -0.00003   3.12833
   D141       0.00269   0.00000   0.00016   0.00000   0.00016   0.00284
   D142      -0.00726   0.00000  -0.00018   0.00010  -0.00007  -0.00733
   D143      -3.13293   0.00000   0.00004   0.00008   0.00011  -3.13281
   D144      -0.00467   0.00000  -0.00009   0.00001  -0.00008  -0.00475
   D145       2.96054  -0.00001   0.00043  -0.00007   0.00036   2.96090
   D146       3.13883   0.00000   0.00019  -0.00006   0.00012   3.13895
   D147      -0.17915   0.00000   0.00070  -0.00014   0.00057  -0.17858
   D148       0.00469   0.00000   0.00013  -0.00010   0.00002   0.00472
   D149      -3.11300   0.00000   0.00025  -0.00011   0.00014  -3.11286
   D150       3.13034   0.00000  -0.00009  -0.00008  -0.00016   3.13017
   D151       0.01264   0.00000   0.00004  -0.00008  -0.00004   0.01260
   D152      -0.00007   0.00000  -0.00002   0.00006   0.00004  -0.00003
   D153      -2.96797   0.00000  -0.00055   0.00014  -0.00040  -2.96837
   D154       3.11782   0.00000  -0.00015   0.00006  -0.00009   3.11773
   D155       0.14991   0.00000  -0.00067   0.00015  -0.00053   0.14939
   D156      -1.44526   0.00000  -0.00068   0.00033  -0.00036  -1.44561
   D157       0.26912   0.00001  -0.00073   0.00017  -0.00056   0.26857
   D158       2.81101   0.00000   0.00222   0.00004   0.00226   2.81326
   D159       1.73552   0.00000  -0.00050   0.00006  -0.00044   1.73508
   D160      -3.10999   0.00000  -0.00048   0.00025  -0.00023  -3.11021
   D161       1.48847   0.00000  -0.00006   0.00023   0.00017   1.48864
   D162      -3.08033   0.00001  -0.00011   0.00008  -0.00003  -3.08036
   D163      -0.53845   0.00000   0.00283  -0.00005   0.00278  -0.53567
   D164      -1.61393   0.00000   0.00012  -0.00004   0.00009  -1.61385
   D165      -0.17626   0.00000   0.00014   0.00016   0.00030  -0.17596
   D166       1.74105  -0.00001  -0.00239  -0.00116  -0.00355   1.73750
   D167      -0.58420  -0.00001  -0.00164  -0.00101  -0.00265  -0.58685
   D168       0.02079  -0.00002  -0.00237  -0.00099  -0.00336   0.01743
   D169      -2.30446  -0.00002  -0.00162  -0.00084  -0.00246  -2.30692
   D170      -2.52835  -0.00001  -0.00531  -0.00088  -0.00619  -2.53453
   D171       1.42958  -0.00001  -0.00455  -0.00073  -0.00528   1.42430
   D172      -1.46625  -0.00001  -0.00261  -0.00090  -0.00351  -1.46976
   D173       2.49168  -0.00001  -0.00185  -0.00076  -0.00261   2.48907
   D174      -2.89278  -0.00001  -0.00263  -0.00110  -0.00373  -2.89651
   D175       1.06515  -0.00001  -0.00188  -0.00095  -0.00282   1.06233
   D176       1.00353   0.00000  -0.00050   0.00199   0.00150   1.00503
   D177       3.03072  -0.00001   0.00095   0.00005   0.00100   3.03172
   D178       1.29544   0.00001   0.00068  -0.00010   0.00059   1.29602
   D179      -1.63825  -0.00001   0.00089  -0.00019   0.00070  -1.63754
   D180      -0.20706  -0.00002   0.00039  -0.00025   0.00014  -0.20692
   D181       2.08713   0.00002   0.00040   0.00052   0.00093   2.08805
   D182      -0.77797   0.00001   0.00294   0.00172   0.00466  -0.77332
   D183      -2.64278  -0.00001   0.00009   0.00049   0.00059  -2.64219
   D184       0.41480   0.00000   0.00073   0.00048   0.00121   0.41601
   D185      -1.18276   0.00001   0.00035   0.00040   0.00075  -1.18201
   D186      -2.38887   0.00000   0.00020   0.00015   0.00035  -2.38851
   D187       0.09573   0.00000  -0.00049  -0.00010  -0.00060   0.09513
   D188       2.11809   0.00001   0.00087  -0.00005   0.00083   2.11891
   D189      -0.33219  -0.00001   0.00113  -0.00008   0.00106  -0.33114
   D190       0.90245   0.00000  -0.00069   0.00011  -0.00059   0.90186
   D191      -2.25807   0.00000  -0.00057  -0.00033  -0.00090  -2.25897
   D192       0.07746   0.00000   0.00029  -0.00002   0.00027   0.07774
   D193      -3.09203   0.00001   0.00046  -0.00008   0.00038  -3.09165
   D194      -3.04599   0.00000   0.00018   0.00039   0.00058  -3.04542
   D195       0.06770   0.00001   0.00035   0.00033   0.00068   0.06838
   D196      -1.14899   0.00000  -0.00002  -0.00001  -0.00003  -1.14902
   D197       0.89654   0.00000  -0.00005   0.00000  -0.00005   0.89649
   D198       3.02321   0.00000   0.00005  -0.00002   0.00003   3.02324
   D199       1.97465   0.00000   0.00009  -0.00042  -0.00033   1.97432
   D200      -2.26300   0.00000   0.00006  -0.00041  -0.00035  -2.26335
   D201      -0.13634   0.00000   0.00016  -0.00043  -0.00026  -0.13660
   D202      -1.44393   0.00001   0.00001  -0.00012  -0.00010  -1.44403
   D203       0.57681   0.00000   0.00005  -0.00019  -0.00014   0.57668
   D204       2.65560   0.00001   0.00000  -0.00019  -0.00019   2.65542
   D205       1.72551   0.00000  -0.00016  -0.00005  -0.00021   1.72530
   D206      -2.53693  -0.00001  -0.00012  -0.00012  -0.00025  -2.53717
   D207      -0.45814   0.00000  -0.00017  -0.00012  -0.00029  -0.45843
   D208       0.69569   0.00000   0.00058   0.00043   0.00101   0.69670
   D209      -2.51372   0.00001   0.00048   0.00051   0.00099  -2.51273
   D210      -1.37325   0.00000   0.00054   0.00048   0.00102  -1.37223
   D211       1.70053   0.00000   0.00044   0.00056   0.00100   1.70153
   D212       2.85399   0.00000   0.00055   0.00052   0.00107   2.85506
   D213      -0.35542   0.00001   0.00045   0.00060   0.00105  -0.35437
   D214       1.00989  -0.00001  -0.00102  -0.00059  -0.00161   1.00828
   D215      -2.05905  -0.00002  -0.00091  -0.00067  -0.00158  -2.06063
   D216      -0.00031   0.00001   0.00052   0.00005   0.00057   0.00026
   D217      -2.92213   0.00000   0.00023  -0.00010   0.00012  -2.92201
   D218       3.07123   0.00001   0.00042   0.00013   0.00055   3.07178
   D219       0.14940   0.00000   0.00012  -0.00002   0.00010   0.14950
   D220      -2.45009   0.00001   0.00052  -0.00054  -0.00001  -2.45011
   D221      -0.36259   0.00001   0.00064  -0.00058   0.00006  -0.36253
   D222       1.71640   0.00001   0.00062  -0.00062   0.00000   1.71640
   D223       0.90845   0.00000   0.00023  -0.00068  -0.00045   0.90800
   D224       2.99595   0.00000   0.00034  -0.00072  -0.00038   2.99557
   D225      -1.20824   0.00000   0.00033  -0.00077  -0.00044  -1.20868
         Item               Value     Threshold  Converged?
 Maximum Force            0.000050     0.000450     YES
 RMS     Force            0.000010     0.000300     YES
 Maximum Displacement     0.005618     0.001800     NO 
 RMS     Displacement     0.001103     0.001200     YES
 Predicted change in Energy=-2.975929D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.073167    2.536293    3.560224
      2          6           0       -3.331267    1.177920    3.655032
      3          6           0       -2.083396    1.107529    2.818944
      4          6           0       -1.698768    0.254520    1.795250
      5          7           0       -1.006800    1.995891    2.974402
      6          6           0       -0.029686    1.663823    2.068363
      7          7           0       -0.417273    0.609403    1.335916
      8          6           0       -5.230350    0.899444    0.144870
      9          6           0       -5.867406   -0.171172   -0.768084
     10          6           0       -5.240604   -1.574693   -0.580158
     11          6           0       -3.758404   -1.573764   -0.945610
     12          8           0       -3.363706   -1.078902   -2.053567
     13          8           0       -2.910862   -2.070447   -0.040196
     14          6           0       -2.266304    4.242702   -2.979474
     15          6           0       -0.992529    3.846355   -3.755034
     16          6           0       -0.192157    2.768443   -3.072200
     17          6           0       -0.321827    2.125410   -1.850652
     18          7           0        0.932307    2.172583   -3.669379
     19          6           0        1.429982    1.211305   -2.824352
     20          7           0        0.690336    1.160554   -1.708082
     21          6           0        4.685273    4.002573    1.494371
     22          6           0        5.164108    2.622128    1.994355
     23          6           0        4.194163    1.523749    1.650149
     24          6           0        3.202664    1.432275    0.683644
     25          7           0        4.136632    0.299201    2.334767
     26          6           0        3.136070   -0.470665    1.785937
     27          7           0        2.553767    0.193903    0.782224
     28         30           0        0.758637   -0.394306   -0.223125
     29          1           0       -4.987071    2.512108    4.165166
     30          1           0       -4.354473    2.756285    2.524474
     31          1           0       -3.456585    3.366820    3.931186
     32          1           0       -3.999066    0.374801    3.325509
     33          1           0       -3.090773    0.968905    4.708391
     34          1           0       -2.251532   -0.565574    1.359482
     35          1           0       -0.965738    2.760024    3.636091
     36          1           0        0.908728    2.185641    1.978970
     37          1           0       -4.160090    1.010954   -0.070598
     38          1           0       -5.341640    0.626733    1.204096
     39          1           0       -5.710910    1.875869   -0.004059
     40          1           0       -6.946242   -0.233036   -0.566224
     41          1           0       -5.745625    0.122905   -1.817845
     42          1           0       -5.353896   -1.924644    0.452314
     43          1           0       -5.755258   -2.289152   -1.238300
     44          1           0       -2.936015    3.383405   -2.857014
     45          1           0       -2.811147    5.023044   -3.522208
     46          1           0       -2.020851    4.634875   -1.984470
     47          1           0       -1.279151    3.500527   -4.759571
     48          1           0       -0.363143    4.737724   -3.900249
     49          1           0       -1.075806    2.262806   -1.094040
     50          1           0        1.296728    2.396755   -4.586714
     51          1           0        2.264974    0.565304   -3.039359
     52          1           0        4.572025    4.013301    0.403531
     53          1           0        3.722304    4.274275    1.943218
     54          1           0        5.414389    4.776649    1.758403
     55          1           0        5.306837    2.659397    3.084312
     56          1           0        6.150618    2.402057    1.560338
     57          1           0        2.914275    2.156362   -0.060136
     58          1           0        4.725172    0.033308    3.114273
     59          1           0        2.845097   -1.451426    2.124665
     60          8           0       -0.792000   -1.394015   -1.070414
     61          1           0       -1.223548   -1.057220   -1.888982
     62          1           0       -1.659417   -1.782769   -0.519683
     63          6           0        2.982696   -2.516437   -1.581856
     64          8           0        2.282299   -1.466567   -1.704715
     65          7           0        2.441132   -3.709709   -1.192437
     66          6           0        1.004460   -3.900174   -0.977988
     67          6           0        0.526514   -3.440962    0.407368
     68          8           0        0.992069   -2.371613    0.926441
     69          7           0       -0.448456   -4.177865    0.979954
     70          1           0        0.450223   -3.264610   -1.680558
     71          1           0        0.752148   -4.949201   -1.165687
     72          1           0        3.056734   -4.504524   -1.068949
     73          1           0       -0.804765   -4.980678    0.471437
     74          6           0       -1.213430   -3.747762    2.166672
     75          1           0       -1.374214   -4.602649    2.831520
     76          1           0       -0.639677   -2.981115    2.691249
     77          1           0       -2.172164   -3.325922    1.842761
     78          6           0        4.469650   -2.508676   -1.887529
     79          1           0        4.615166   -2.322867   -2.958298
     80          1           0        4.942966   -1.685434   -1.343020
     81          1           0        4.969674   -3.447189   -1.627062
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968803      0.0727354      0.0659938
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.5091950563 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122068.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000053    0.000057    0.000032 Ang=  -0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581929     A.U. after    8 cycles
            NFock=  8  Conv=0.59D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122068.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000007785   -0.000001371    0.000002794
      3        6          -0.000001310   -0.000021783   -0.000005797
      4        6          -0.000017891    0.000011775   -0.000021325
      5        7           0.000020659    0.000005291    0.000013417
      6        6           0.000003113    0.000017757   -0.000012404
      7        7          -0.000025188   -0.000045208    0.000031144
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000003987   -0.000007291   -0.000006203
     10        6           0.000006621    0.000000545    0.000001999
     11        6          -0.000010750    0.000004486   -0.000021701
     12        8           0.000016694   -0.000019415   -0.000009102
     13        8          -0.000030252   -0.000022061   -0.000006231
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000002683    0.000009295   -0.000005810
     16        6          -0.000004884   -0.000004751   -0.000000828
     17        6          -0.000005506    0.000024899    0.000012401
     18        7           0.000019635   -0.000005041   -0.000007429
     19        6           0.000011854    0.000004918    0.000005089
     20        7          -0.000032834   -0.000014213   -0.000043953
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000002607   -0.000006245   -0.000001186
     23        6           0.000013268   -0.000014252   -0.000005021
     24        6           0.000004902   -0.000000175    0.000009289
     25        7          -0.000015314    0.000013612   -0.000002384
     26        6           0.000023045   -0.000005138    0.000003980
     27        7          -0.000012926   -0.000013654   -0.000000185
     28       30          -0.000017015    0.000095335    0.000047549
     29        1           0.000000147    0.000001997    0.000000912
     30        1           0.000008259   -0.000004331   -0.000011373
     31        1          -0.000003157   -0.000009179    0.000007921
     32        1           0.000007121    0.000007540   -0.000009019
     33        1          -0.000009205    0.000008013    0.000012502
     34        1          -0.000000892   -0.000003491    0.000002459
     35        1           0.000000770    0.000000663    0.000001785
     36        1           0.000002072   -0.000000410   -0.000000724
     37        1           0.000004918   -0.000001693   -0.000000018
     38        1           0.000003054    0.000000732    0.000002571
     39        1           0.000003953   -0.000003235   -0.000000265
     40        1           0.000000851   -0.000003016    0.000005832
     41        1          -0.000003349    0.000002878    0.000001931
     42        1           0.000002986    0.000002497    0.000002566
     43        1          -0.000005115    0.000001976    0.000000943
     44        1           0.000000055    0.000001895    0.000002774
     45        1          -0.000003099   -0.000001285   -0.000001080
     46        1          -0.000001623   -0.000000693    0.000002228
     47        1          -0.000002207    0.000001260   -0.000001646
     48        1           0.000002321   -0.000004531    0.000003114
     49        1           0.000003563   -0.000007744    0.000001128
     50        1          -0.000004462   -0.000005529    0.000003679
     51        1          -0.000000227   -0.000002321   -0.000000987
     52        1           0.000001249   -0.000000835   -0.000001032
     53        1           0.000001530   -0.000001886    0.000001276
     54        1           0.000001667   -0.000003108    0.000001983
     55        1           0.000004268   -0.000000773    0.000003284
     56        1          -0.000003229    0.000003862    0.000003582
     57        1          -0.000002673    0.000000577   -0.000002443
     58        1           0.000000628   -0.000002811    0.000001319
     59        1          -0.000009121    0.000000476   -0.000003655
     60        8          -0.000043889   -0.000079494   -0.000048748
     61        1           0.000040146    0.000050146    0.000031912
     62        1           0.000026039    0.000050820    0.000032790
     63        6          -0.000016625   -0.000006019   -0.000016307
     64        8           0.000026088   -0.000019805   -0.000003431
     65        7           0.000010823    0.000010929   -0.000010831
     66        6           0.000003124   -0.000007985   -0.000005385
     67        6          -0.000032637    0.000005151    0.000021396
     68        8           0.000051947   -0.000002340   -0.000026507
     69        7           0.000018105   -0.000008469   -0.000003887
     70        1           0.000001654   -0.000002116    0.000001043
     71        1          -0.000000112   -0.000000882    0.000000161
     72        1          -0.000004177    0.000001347    0.000009290
     73        1          -0.000004240   -0.000001884    0.000000668
     74        6          -0.000000679    0.000022240   -0.000004289
     75        1          -0.000008404   -0.000003604    0.000005971
     76        1           0.000005487   -0.000005455    0.000001275
     77        1          -0.000001576   -0.000007322   -0.000001612
     78        6          -0.000001351   -0.000004051    0.000017756
     79        1           0.000002985    0.000002840   -0.000002702
     80        1           0.000001468    0.000000120   -0.000001533
     81        1          -0.000001221    0.000001924   -0.000000632
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000095335 RMS     0.000015446

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000035996 RMS     0.000006867
 Search for a local minimum.
 Step number  53 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50   51   52   53
 DE= -3.98D-07 DEPred=-2.98D-07 R= 1.34D+00
 Trust test= 1.34D+00 RLast= 1.92D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00066   0.00083   0.00114   0.00164   0.00211
     Eigenvalues ---    0.00230   0.00231   0.00234   0.00241   0.00297
     Eigenvalues ---    0.00324   0.00415   0.00521   0.00540   0.00567
     Eigenvalues ---    0.00647   0.00704   0.00803   0.00885   0.00906
     Eigenvalues ---    0.00965   0.01160   0.01260   0.01287   0.01355
     Eigenvalues ---    0.01421   0.01589   0.01691   0.01729   0.01793
     Eigenvalues ---    0.01823   0.01849   0.01912   0.01940   0.02042
     Eigenvalues ---    0.02076   0.02192   0.02253   0.02288   0.02328
     Eigenvalues ---    0.02342   0.02465   0.02553   0.02781   0.03012
     Eigenvalues ---    0.03412   0.03594   0.03717   0.03889   0.03999
     Eigenvalues ---    0.04054   0.04127   0.04204   0.04260   0.04388
     Eigenvalues ---    0.04574   0.04846   0.04950   0.05014   0.05256
     Eigenvalues ---    0.05303   0.05340   0.05382   0.05388   0.05395
     Eigenvalues ---    0.05430   0.05470   0.05509   0.05510   0.05535
     Eigenvalues ---    0.05552   0.05666   0.06106   0.06427   0.06897
     Eigenvalues ---    0.07229   0.07477   0.07632   0.07786   0.08216
     Eigenvalues ---    0.08310   0.08736   0.09161   0.09322   0.09481
     Eigenvalues ---    0.09682   0.09777   0.10159   0.10212   0.10898
     Eigenvalues ---    0.11902   0.12180   0.12375   0.12553   0.12881
     Eigenvalues ---    0.12979   0.13095   0.13373   0.14031   0.14338
     Eigenvalues ---    0.14631   0.15510   0.15846   0.15877   0.15932
     Eigenvalues ---    0.15966   0.15975   0.15989   0.15992   0.15995
     Eigenvalues ---    0.15998   0.16000   0.16001   0.16003   0.16005
     Eigenvalues ---    0.16008   0.16012   0.16014   0.16017   0.16035
     Eigenvalues ---    0.16043   0.16052   0.16071   0.16111   0.16124
     Eigenvalues ---    0.16145   0.16242   0.16276   0.16411   0.16449
     Eigenvalues ---    0.16543   0.17542   0.18080   0.19846   0.20529
     Eigenvalues ---    0.21145   0.21511   0.22136   0.22338   0.22415
     Eigenvalues ---    0.22784   0.22928   0.23132   0.23270   0.23661
     Eigenvalues ---    0.23917   0.24104   0.24326   0.24505   0.24965
     Eigenvalues ---    0.25113   0.25395   0.26291   0.27445   0.27685
     Eigenvalues ---    0.28161   0.28237   0.28380   0.28670   0.29706
     Eigenvalues ---    0.30466   0.30790   0.31041   0.31547   0.31730
     Eigenvalues ---    0.31993   0.33578   0.33629   0.33642   0.33663
     Eigenvalues ---    0.33674   0.33786   0.33813   0.33850   0.33863
     Eigenvalues ---    0.33918   0.33933   0.33948   0.33985   0.34004
     Eigenvalues ---    0.34013   0.34037   0.34047   0.34083   0.34090
     Eigenvalues ---    0.34132   0.34162   0.34182   0.34188   0.34201
     Eigenvalues ---    0.34223   0.34304   0.34308   0.34392   0.34673
     Eigenvalues ---    0.35285   0.35730   0.35779   0.36166   0.36239
     Eigenvalues ---    0.36342   0.36508   0.36553   0.37860   0.39106
     Eigenvalues ---    0.39330   0.39754   0.42341   0.42658   0.42840
     Eigenvalues ---    0.45270   0.45362   0.45448   0.45530   0.45583
     Eigenvalues ---    0.45610   0.45657   0.46249   0.48914   0.49159
     Eigenvalues ---    0.49380   0.49706   0.50015   0.52617   0.54503
     Eigenvalues ---    0.54888   0.55095   0.56560   0.65544   0.73122
     Eigenvalues ---    0.766231000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    53   52   51   50   49
 RFO step:  Lambda=-5.76944417D-08.
 DidBck=F Rises=F RFO-DIIS coefs:    1.65511   -0.51338   -0.61379    0.64826   -0.17620
 Iteration  1 RMS(Cart)=  0.00096882 RMS(Int)=  0.00000054
 Iteration  2 RMS(Cart)=  0.00000091 RMS(Int)=  0.00000033
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00001   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622  -0.00001   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00001   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93035   0.00001   0.00002   0.00001   0.00003   2.93038
    R2        2.07161   0.00000  -0.00001   0.00001  -0.00001   2.07160
    R3        2.07036   0.00001   0.00003   0.00000   0.00003   2.07039
    R4        2.07660   0.00001   0.00002   0.00000   0.00002   2.07662
    R5        2.84162   0.00000  -0.00001   0.00001   0.00000   2.84163
    R6        2.06970   0.00001   0.00000   0.00001   0.00001   2.06971
    R7        2.07963   0.00002   0.00000   0.00001   0.00002   2.07965
    R8        2.62087   0.00001   0.00000   0.00002   0.00002   2.62089
    R9        2.65398  -0.00002  -0.00004  -0.00001  -0.00005   2.65393
   R10        2.65852  -0.00001   0.00000  -0.00002  -0.00002   2.65849
   R11        2.04230   0.00000   0.00001  -0.00001   0.00000   2.04230
   R12        2.59514   0.00001   0.00003   0.00002   0.00005   2.59519
   R13        1.91173   0.00000   0.00000   0.00000   0.00000   1.91172
   R14        2.53428  -0.00001  -0.00002  -0.00002  -0.00004   2.53424
   R15        2.03609   0.00000  -0.00001   0.00000  -0.00001   2.03609
   R16        4.14915   0.00000  -0.00005   0.00019   0.00014   4.14928
   R17        2.91872   0.00000  -0.00002  -0.00001  -0.00003   2.91869
   R18        2.07381   0.00000  -0.00002   0.00000  -0.00002   2.07379
   R19        2.07760   0.00000   0.00000   0.00000   0.00000   2.07760
   R20        2.07571   0.00001   0.00004   0.00000   0.00003   2.07574
   R21        2.92637   0.00000   0.00002  -0.00002  -0.00001   2.92637
   R22        2.07738   0.00000   0.00001   0.00000   0.00001   2.07739
   R23        2.07294   0.00000  -0.00001   0.00000  -0.00002   2.07293
   R24        2.88483   0.00001   0.00007   0.00001   0.00008   2.88492
   R25        2.07121   0.00000   0.00002   0.00000   0.00002   2.07124
   R26        2.07739   0.00000   0.00000   0.00001   0.00000   2.07739
   R27        2.41134   0.00000   0.00012   0.00002   0.00014   2.41148
   R28        2.52460   0.00001  -0.00014  -0.00002  -0.00016   2.52444
   R29        4.05646   0.00000  -0.00168  -0.00122  -0.00289   4.05357
   R30        2.59022  -0.00004   0.00099   0.00057   0.00155   2.59178
   R31        2.91599   0.00000   0.00002  -0.00001   0.00002   2.91601
   R32        2.07173   0.00000   0.00001   0.00000   0.00000   2.07173
   R33        2.07039   0.00000  -0.00001   0.00000   0.00000   2.07039
   R34        2.07361   0.00000   0.00000   0.00001   0.00000   2.07361
   R35        2.84638   0.00000  -0.00001  -0.00001  -0.00002   2.84636
   R36        2.07942   0.00000   0.00001   0.00000   0.00001   2.07943
   R37        2.08020   0.00000   0.00001   0.00000   0.00001   2.08022
   R38        2.62018   0.00001   0.00004  -0.00002   0.00002   2.62020
   R39        2.65645  -0.00001  -0.00008   0.00001  -0.00007   2.65638
   R40        2.65622   0.00000  -0.00004   0.00001  -0.00003   2.65620
   R41        2.03514   0.00000   0.00000   0.00000   0.00001   2.03515
   R42        2.59506   0.00001   0.00003   0.00000   0.00004   2.59510
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53231   0.00000   0.00001  -0.00001   0.00000   2.53231
   R45        2.03596   0.00000  -0.00001   0.00000  -0.00001   2.03595
   R46        4.06504   0.00002   0.00005   0.00012   0.00017   4.06521
   R47        2.91832  -0.00001  -0.00004   0.00000  -0.00004   2.91828
   R48        2.07257   0.00000   0.00000   0.00000   0.00000   2.07257
   R49        2.07233   0.00000   0.00003  -0.00001   0.00002   2.07235
   R50        2.07054   0.00000   0.00000   0.00000   0.00000   2.07054
   R51        2.84447   0.00000  -0.00001   0.00001   0.00000   2.84446
   R52        2.07850   0.00000   0.00001   0.00000   0.00001   2.07851
   R53        2.07870   0.00000   0.00000   0.00000   0.00000   2.07870
   R54        2.62228   0.00000   0.00000   0.00000   0.00000   2.62227
   R55        2.65339   0.00001   0.00002   0.00001   0.00002   2.65341
   R56        2.64855   0.00000  -0.00003   0.00001  -0.00002   2.64853
   R57        2.03589   0.00000   0.00000   0.00000   0.00000   2.03589
   R58        2.60140   0.00000   0.00001   0.00000   0.00001   2.60141
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52699  -0.00001  -0.00002   0.00000  -0.00002   2.52697
   R61        2.03643   0.00000   0.00000   0.00000   0.00000   2.03644
   R62        4.04384   0.00001  -0.00022   0.00004  -0.00018   4.04366
   R63        3.83656   0.00000   0.00027   0.00000   0.00026   3.83682
   R64        4.49834  -0.00001  -0.00028  -0.00012  -0.00041   4.49793
   R65        4.34462  -0.00002  -0.00013  -0.00058  -0.00070   4.34391
   R66        1.86089  -0.00001   0.00002   0.00003   0.00005   1.86094
   R67        2.07599   0.00003  -0.00041  -0.00027  -0.00068   2.07531
   R68        2.39621   0.00001   0.00003   0.00000   0.00003   2.39624
   R69        2.58336   0.00001  -0.00005   0.00003  -0.00002   2.58334
   R70        2.86873   0.00000   0.00004  -0.00002   0.00002   2.86875
   R71        2.76849  -0.00001   0.00000   0.00001   0.00001   2.76850
   R72        1.91408   0.00000   0.00001   0.00000   0.00001   1.91409
   R73        2.90214   0.00000   0.00004  -0.00001   0.00003   2.90217
   R74        2.07416   0.00000   0.00000   0.00001   0.00001   2.07417
   R75        2.06953   0.00000   0.00001  -0.00001   0.00000   2.06953
   R76        2.41241  -0.00001  -0.00005   0.00000  -0.00005   2.41236
   R77        2.55039   0.00000   0.00000  -0.00001  -0.00001   2.55039
   R78        1.91791   0.00000  -0.00001   0.00000  -0.00001   1.91790
   R79        2.78917   0.00000  -0.00005   0.00001  -0.00004   2.78913
   R80        2.06897   0.00000   0.00002  -0.00001   0.00001   2.06898
   R81        2.06328   0.00000   0.00000   0.00001   0.00001   2.06329
   R82        2.07185   0.00000   0.00002  -0.00001   0.00001   2.07186
   R83        2.07203   0.00000   0.00001   0.00000   0.00001   2.07204
   R84        2.06858   0.00000  -0.00002   0.00000  -0.00002   2.06856
   R85        2.06895   0.00000   0.00000   0.00000   0.00000   2.06895
    A1        1.92388   0.00000   0.00000  -0.00002  -0.00002   1.92386
    A2        1.93536   0.00000   0.00000   0.00002   0.00002   1.93538
    A3        1.95301   0.00000   0.00002   0.00000   0.00003   1.95303
    A4        1.88816   0.00000  -0.00002   0.00000  -0.00003   1.88814
    A5        1.87355   0.00000  -0.00005   0.00000  -0.00005   1.87350
    A6        1.88751   0.00000   0.00004   0.00000   0.00004   1.88756
    A7        1.98673   0.00000  -0.00008   0.00004  -0.00003   1.98670
    A8        1.90947   0.00000  -0.00001   0.00000  -0.00001   1.90946
    A9        1.90652   0.00000   0.00002   0.00001   0.00002   1.90654
   A10        1.88008   0.00000  -0.00003   0.00000  -0.00004   1.88004
   A11        1.91979   0.00000   0.00006  -0.00003   0.00003   1.91982
   A12        1.85663   0.00000   0.00005  -0.00001   0.00003   1.85666
   A13        2.30411   0.00000  -0.00009   0.00004  -0.00005   2.30405
   A14        2.14717  -0.00001   0.00007  -0.00004   0.00003   2.14720
   A15        1.83191   0.00000   0.00003  -0.00001   0.00002   1.83193
   A16        1.91608   0.00000  -0.00004   0.00002  -0.00002   1.91607
   A17        2.24271   0.00000  -0.00001   0.00001   0.00000   2.24271
   A18        2.12430   0.00000   0.00005  -0.00003   0.00002   2.12432
   A19        1.89594  -0.00001   0.00000  -0.00002  -0.00002   1.89592
   A20        2.19112   0.00000   0.00004  -0.00002   0.00002   2.19114
   A21        2.19604   0.00001  -0.00004   0.00003   0.00000   2.19604
   A22        1.92284   0.00000  -0.00002   0.00002   0.00000   1.92284
   A23        2.16196   0.00000   0.00000  -0.00001  -0.00001   2.16195
   A24        2.19837   0.00000   0.00002  -0.00002   0.00001   2.19838
   A25        1.85800   0.00000   0.00004  -0.00002   0.00002   1.85802
   A26        2.21978  -0.00003  -0.00028  -0.00011  -0.00039   2.21939
   A27        2.20489   0.00003   0.00025   0.00012   0.00037   2.20526
   A28        1.93546   0.00000   0.00008  -0.00003   0.00005   1.93551
   A29        1.93456   0.00000  -0.00001   0.00000   0.00000   1.93455
   A30        1.93434   0.00000  -0.00006   0.00001  -0.00005   1.93429
   A31        1.88924   0.00000   0.00007   0.00001   0.00008   1.88932
   A32        1.88570   0.00000  -0.00002   0.00001  -0.00001   1.88569
   A33        1.88267   0.00000  -0.00006   0.00001  -0.00005   1.88262
   A34        1.97095  -0.00001   0.00006  -0.00004   0.00002   1.97097
   A35        1.91267   0.00000  -0.00006  -0.00001  -0.00006   1.91260
   A36        1.91139   0.00000   0.00001   0.00000   0.00000   1.91139
   A37        1.90069   0.00001   0.00002   0.00002   0.00004   1.90072
   A38        1.89038   0.00000  -0.00008   0.00002  -0.00006   1.89032
   A39        1.87524   0.00000   0.00005   0.00001   0.00006   1.87530
   A40        1.94270  -0.00001  -0.00005   0.00005  -0.00001   1.94269
   A41        1.94106   0.00000   0.00004   0.00000   0.00004   1.94110
   A42        1.90381   0.00001   0.00000   0.00002   0.00003   1.90384
   A43        1.90293   0.00001   0.00008  -0.00002   0.00006   1.90299
   A44        1.88770   0.00000  -0.00004  -0.00002  -0.00006   1.88764
   A45        1.88396   0.00000  -0.00003  -0.00003  -0.00006   1.88389
   A46        2.10415   0.00000  -0.00025   0.00000  -0.00026   2.10389
   A47        2.04147  -0.00001   0.00016  -0.00002   0.00014   2.04161
   A48        2.13697   0.00001   0.00010   0.00002   0.00012   2.13709
   A49        1.81907  -0.00002   0.00003   0.00007   0.00011   1.81918
   A50        1.83808   0.00001  -0.00011  -0.00005  -0.00016   1.83792
   A51        1.93808   0.00000   0.00000   0.00001   0.00002   1.93810
   A52        1.92248   0.00000  -0.00004   0.00000  -0.00004   1.92243
   A53        1.94217   0.00000   0.00001  -0.00002   0.00000   1.94217
   A54        1.88579   0.00000   0.00006   0.00000   0.00006   1.88585
   A55        1.89177   0.00000  -0.00002   0.00001  -0.00001   1.89175
   A56        1.88165   0.00000  -0.00001   0.00000  -0.00001   1.88164
   A57        1.97643   0.00001   0.00005  -0.00004   0.00001   1.97644
   A58        1.90132   0.00000   0.00001   0.00002   0.00003   1.90135
   A59        1.90740  -0.00001  -0.00006   0.00000  -0.00006   1.90734
   A60        1.90429   0.00000  -0.00005   0.00002  -0.00003   1.90426
   A61        1.91290   0.00000   0.00007  -0.00001   0.00006   1.91296
   A62        1.85770   0.00000  -0.00003   0.00002  -0.00001   1.85769
   A63        2.32072   0.00001  -0.00003  -0.00001  -0.00004   2.32069
   A64        2.13626  -0.00001   0.00003   0.00001   0.00003   2.13629
   A65        1.82605   0.00000   0.00000   0.00000   0.00000   1.82606
   A66        1.91810   0.00000   0.00000   0.00000   0.00000   1.91810
   A67        2.24626  -0.00001  -0.00005  -0.00001  -0.00006   2.24620
   A68        2.11818   0.00001   0.00005   0.00001   0.00006   2.11824
   A69        1.90202   0.00000   0.00002  -0.00001   0.00001   1.90203
   A70        2.18844   0.00000   0.00002   0.00001   0.00002   2.18846
   A71        2.19226   0.00000  -0.00004   0.00001  -0.00003   2.19223
   A72        1.91673   0.00000  -0.00002   0.00001  -0.00002   1.91671
   A73        2.18682   0.00000   0.00000  -0.00001  -0.00001   2.18681
   A74        2.17889   0.00000   0.00003   0.00001   0.00003   2.17893
   A75        1.86186   0.00000   0.00001   0.00000   0.00000   1.86186
   A76        2.20067  -0.00003  -0.00005  -0.00015  -0.00020   2.20047
   A77        2.19554   0.00003   0.00003   0.00013   0.00016   2.19570
   A78        1.94204   0.00000   0.00002   0.00000   0.00001   1.94205
   A79        1.94038   0.00000   0.00002  -0.00001   0.00001   1.94039
   A80        1.92534   0.00000   0.00004   0.00000   0.00004   1.92538
   A81        1.89019   0.00000  -0.00002   0.00001  -0.00001   1.89018
   A82        1.87704   0.00000   0.00000   0.00000   0.00000   1.87704
   A83        1.88670   0.00000  -0.00006   0.00000  -0.00006   1.88664
   A84        1.95891   0.00000  -0.00003   0.00001  -0.00002   1.95890
   A85        1.90793   0.00000  -0.00002  -0.00001  -0.00002   1.90791
   A86        1.90622   0.00000   0.00005  -0.00001   0.00004   1.90626
   A87        1.91235   0.00000   0.00000  -0.00001  -0.00001   1.91234
   A88        1.91951   0.00000   0.00000   0.00001   0.00001   1.91952
   A89        1.85605   0.00000   0.00000   0.00000   0.00000   1.85604
   A90        2.30204   0.00001   0.00004   0.00000   0.00003   2.30208
   A91        2.15471  -0.00001  -0.00003   0.00000  -0.00003   2.15468
   A92        1.82641   0.00000   0.00000   0.00000   0.00000   1.82641
   A93        1.91778   0.00000   0.00000   0.00000   0.00000   1.91778
   A94        2.24954   0.00000   0.00001   0.00000   0.00001   2.24955
   A95        2.11586   0.00000  -0.00001   0.00000  -0.00001   2.11585
   A96        1.89982   0.00000  -0.00001  -0.00001  -0.00002   1.89981
   A97        2.19041   0.00000  -0.00003   0.00001  -0.00002   2.19038
   A98        2.19283   0.00000   0.00003   0.00000   0.00003   2.19287
   A99        1.91540   0.00000  -0.00001   0.00001   0.00000   1.91540
   A100       2.18942   0.00000  -0.00005  -0.00002  -0.00007   2.18935
   A101       2.17810   0.00000   0.00006   0.00001   0.00007   2.17817
   A102       1.86533   0.00000   0.00002   0.00000   0.00001   1.86535
   A103       2.21207   0.00000   0.00002  -0.00005  -0.00003   2.21204
   A104       2.19115   0.00000  -0.00002   0.00001  -0.00001   2.19114
   A105       1.71402   0.00002  -0.00001  -0.00011  -0.00011   1.71391
   A106       1.56082  -0.00002  -0.00023  -0.00003  -0.00026   1.56057
   A107       1.68342   0.00001   0.00006   0.00002   0.00008   1.68350
   A108       3.00492   0.00000  -0.00013   0.00004  -0.00009   3.00483
   A109       1.66343   0.00000  -0.00004   0.00009   0.00005   1.66347
   A110       1.72366  -0.00001   0.00020   0.00004   0.00024   1.72390
   A111       1.61439   0.00000  -0.00027  -0.00007  -0.00034   1.61404
   A112       1.48696  -0.00001  -0.00011  -0.00009  -0.00019   1.48676
   A113       2.89620  -0.00001  -0.00009  -0.00004  -0.00013   2.89606
   A114       2.90500   0.00001   0.00016   0.00005   0.00020   2.90520
   A115       1.44978   0.00001   0.00005   0.00001   0.00006   1.44984
   A116       1.48702   0.00002   0.00036   0.00016   0.00053   1.48754
   A117       1.57811  -0.00001   0.00016   0.00004   0.00020   1.57831
   A118       1.43309  -0.00001  -0.00025  -0.00012  -0.00037   1.43272
   A119       1.42914   0.00000   0.00024   0.00013   0.00037   1.42951
   A120       2.10972   0.00003   0.00036   0.00017   0.00054   2.11026
   A121       2.17500   0.00000  -0.00027  -0.00013  -0.00040   2.17460
   A122       1.76372  -0.00002  -0.00021  -0.00015  -0.00037   1.76335
   A123       2.09117   0.00004   0.00071   0.00047   0.00118   2.09235
   A124       2.89826  -0.00001  -0.00054  -0.00034  -0.00088   2.89738
   A125       2.13116   0.00000   0.00002  -0.00001   0.00001   2.13116
   A126       2.11448   0.00000  -0.00007   0.00002  -0.00004   2.11444
   A127       2.03740   0.00000   0.00004   0.00000   0.00004   2.03744
   A128       2.29990  -0.00001  -0.00002  -0.00001  -0.00003   2.29987
   A129       2.14560   0.00000   0.00007  -0.00002   0.00006   2.14565
   A130       2.07021   0.00000  -0.00005   0.00001  -0.00004   2.07017
   A131       2.06706   0.00000  -0.00002   0.00000  -0.00001   2.06705
   A132       1.98053   0.00000   0.00005  -0.00002   0.00003   1.98056
   A133       1.90308   0.00000  -0.00001   0.00001   0.00001   1.90309
   A134       1.90221   0.00000  -0.00001  -0.00002  -0.00002   1.90218
   A135       1.82050   0.00000  -0.00006   0.00003  -0.00003   1.82048
   A136       1.94908   0.00000   0.00002   0.00000   0.00001   1.94910
   A137       1.90564   0.00000   0.00000   0.00000   0.00000   1.90564
   A138       2.09875   0.00000  -0.00001  -0.00001  -0.00002   2.09874
   A139       2.03116   0.00000  -0.00004   0.00005   0.00002   2.03118
   A140       2.15115   0.00000   0.00003  -0.00005  -0.00001   2.15113
   A141       2.07155   0.00002   0.00047   0.00027   0.00074   2.07229
   A142       2.06343   0.00000  -0.00002   0.00001  -0.00001   2.06342
   A143       2.16087   0.00001   0.00011  -0.00005   0.00005   2.16092
   A144       2.03913   0.00000   0.00003   0.00001   0.00004   2.03917
   A145       1.91434   0.00000   0.00007  -0.00001   0.00006   1.91439
   A146       1.89500   0.00000   0.00002  -0.00001   0.00000   1.89500
   A147       1.90477   0.00000  -0.00003  -0.00004  -0.00007   1.90470
   A148       1.91100   0.00000   0.00000   0.00000  -0.00001   1.91100
   A149       1.92988   0.00001   0.00002   0.00008   0.00010   1.92997
   A150       1.90848  -0.00001  -0.00007  -0.00002  -0.00009   1.90839
   A151       1.90445  -0.00001  -0.00009  -0.00002  -0.00011   1.90434
   A152       1.90415   0.00000  -0.00001   0.00004   0.00003   1.90418
   A153       1.97693   0.00000   0.00002  -0.00001   0.00002   1.97695
   A154       1.87648   0.00000   0.00003   0.00000   0.00003   1.87651
   A155       1.89334   0.00000   0.00000  -0.00001  -0.00001   1.89333
   A156       1.90589   0.00000   0.00005   0.00000   0.00005   1.90594
    D1        3.11056   0.00000  -0.00012   0.00000  -0.00012   3.11044
    D2        1.00647   0.00000  -0.00002  -0.00002  -0.00004   1.00643
    D3       -1.01939   0.00000  -0.00008   0.00000  -0.00008  -1.01948
    D4        1.02007   0.00000  -0.00009   0.00000  -0.00009   1.01998
    D5       -1.08402   0.00000   0.00001  -0.00002  -0.00001  -1.08403
    D6       -3.10989   0.00000  -0.00006   0.00000  -0.00006  -3.10994
    D7       -1.08904   0.00000  -0.00016  -0.00001  -0.00018  -1.08922
    D8        3.09005   0.00000  -0.00006  -0.00003  -0.00009   3.08996
    D9        1.06419   0.00000  -0.00013  -0.00002  -0.00014   1.06405
   D10       -2.12194   0.00000  -0.00074  -0.00025  -0.00099  -2.12293
   D11        1.02095   0.00000  -0.00089  -0.00002  -0.00091   1.02004
   D12       -0.00143   0.00000  -0.00083  -0.00023  -0.00106  -0.00249
   D13        3.14145   0.00000  -0.00097   0.00000  -0.00098   3.14048
   D14        2.01526   0.00000  -0.00076  -0.00026  -0.00102   2.01424
   D15       -1.12504   0.00000  -0.00090  -0.00004  -0.00094  -1.12598
   D16       -3.13872   0.00000   0.00000   0.00017   0.00017  -3.13855
   D17        0.01721   0.00000  -0.00028   0.00025  -0.00004   0.01718
   D18        0.00175   0.00000   0.00013  -0.00003   0.00010   0.00185
   D19       -3.12550   0.00000  -0.00016   0.00005  -0.00010  -3.12561
   D20        3.13928   0.00000   0.00004  -0.00011  -0.00007   3.13921
   D21       -0.01533   0.00000  -0.00012  -0.00012  -0.00024  -0.01557
   D22       -0.00131   0.00000  -0.00007   0.00006  -0.00001  -0.00133
   D23        3.12726   0.00000  -0.00023   0.00005  -0.00018   3.12708
   D24       -0.00155   0.00000  -0.00014  -0.00001  -0.00015  -0.00170
   D25        3.10724   0.00001  -0.00008  -0.00008  -0.00016   3.10708
   D26        3.12685   0.00000   0.00012  -0.00008   0.00004   3.12689
   D27       -0.04754   0.00000   0.00019  -0.00016   0.00003  -0.04751
   D28        0.00039   0.00000  -0.00001  -0.00007  -0.00008   0.00031
   D29       -3.13605   0.00000  -0.00015   0.00003  -0.00012  -3.13617
   D30       -3.12813   0.00000   0.00014  -0.00006   0.00009  -3.12805
   D31        0.01860   0.00000   0.00001   0.00004   0.00005   0.01865
   D32        0.00069   0.00000   0.00009   0.00005   0.00014   0.00083
   D33       -3.10846   0.00000   0.00004   0.00012   0.00017  -3.10830
   D34        3.13700   0.00000   0.00023  -0.00005   0.00018   3.13718
   D35        0.02785   0.00000   0.00018   0.00003   0.00021   0.02806
   D36        1.95086   0.00000   0.00022   0.00028   0.00049   1.95136
   D37       -2.60851  -0.00001   0.00039   0.00031   0.00070  -2.60781
   D38        0.31941   0.00000   0.00048   0.00036   0.00084   0.32026
   D39       -2.31969  -0.00001  -0.00114  -0.00117  -0.00230  -2.32200
   D40       -1.12279   0.00000   0.00073   0.00047   0.00121  -1.12159
   D41       -1.22978   0.00000   0.00028   0.00019   0.00047  -1.22931
   D42        0.49402  -0.00001   0.00046   0.00022   0.00068   0.49471
   D43       -2.86123   0.00000   0.00055   0.00027   0.00082  -2.86041
   D44        0.78285   0.00000  -0.00107  -0.00125  -0.00232   0.78052
   D45        1.97975   0.00001   0.00080   0.00038   0.00119   1.98093
   D46        1.06384   0.00000  -0.00012   0.00000  -0.00011   1.06373
   D47       -3.09719   0.00000  -0.00009   0.00000  -0.00009  -3.09728
   D48       -1.04425   0.00000  -0.00006   0.00000  -0.00005  -1.04430
   D49       -1.03508   0.00000  -0.00025   0.00001  -0.00024  -1.03532
   D50        1.08707   0.00000  -0.00023   0.00001  -0.00022   1.08685
   D51        3.14001   0.00000  -0.00020   0.00001  -0.00018   3.13983
   D52       -3.12501   0.00000  -0.00013   0.00000  -0.00013  -3.12514
   D53       -1.00286   0.00000  -0.00010  -0.00001  -0.00011  -1.00297
   D54        1.05008   0.00000  -0.00007  -0.00001  -0.00008   1.05001
   D55       -1.08457   0.00000  -0.00003   0.00000  -0.00004  -1.08461
   D56        1.04109   0.00000   0.00006   0.00000   0.00006   1.04116
   D57        3.11704   0.00000   0.00005  -0.00002   0.00003   3.11706
   D58        3.06970   0.00000  -0.00002   0.00002   0.00000   3.06971
   D59       -1.08781   0.00000   0.00008   0.00003   0.00011  -1.08771
   D60        0.98813   0.00000   0.00007   0.00000   0.00007   0.98820
   D61        1.03544   0.00000  -0.00004  -0.00002  -0.00006   1.03538
   D62       -3.12208   0.00000   0.00005  -0.00001   0.00004  -3.12204
   D63       -1.04614   0.00000   0.00004  -0.00003   0.00001  -1.04613
   D64       -0.87145   0.00000   0.00040   0.00062   0.00102  -0.87043
   D65        2.23400  -0.00001   0.00038   0.00054   0.00092   2.23492
   D66       -3.01912   0.00000   0.00033   0.00060   0.00093  -3.01819
   D67        0.08634   0.00000   0.00031   0.00052   0.00083   0.08717
   D68        1.21970   0.00000   0.00034   0.00066   0.00101   1.22071
   D69       -1.95803   0.00000   0.00033   0.00058   0.00091  -1.95712
   D70        2.98684   0.00000  -0.00018  -0.00001  -0.00019   2.98665
   D71       -0.11659   0.00001  -0.00017   0.00008  -0.00009  -0.11667
   D72       -2.99630   0.00000  -0.00002  -0.00003  -0.00005  -2.99635
   D73        0.10842   0.00000  -0.00004  -0.00012  -0.00016   0.10826
   D74        0.00268  -0.00001   0.00039  -0.00003   0.00036   0.00304
   D75        0.22110   0.00000   0.00016  -0.00015   0.00001   0.22111
   D76       -1.04738   0.00000   0.00016  -0.00002   0.00014  -1.04724
   D77        1.07494   0.00000   0.00014  -0.00001   0.00013   1.07507
   D78        3.09803   0.00000   0.00008   0.00002   0.00010   3.09814
   D79       -3.13575   0.00000   0.00011  -0.00003   0.00008  -3.13566
   D80       -1.01342   0.00000   0.00009  -0.00002   0.00007  -1.01335
   D81        1.00967   0.00000   0.00003   0.00001   0.00004   1.00971
   D82        1.06162   0.00000   0.00015  -0.00002   0.00013   1.06175
   D83       -3.09924   0.00000   0.00013  -0.00001   0.00012  -3.09912
   D84       -1.07615   0.00000   0.00007   0.00002   0.00009  -1.07605
   D85       -0.08676   0.00000  -0.00074  -0.00005  -0.00080  -0.08756
   D86        3.03318   0.00000  -0.00100   0.00006  -0.00094   3.03224
   D87       -2.20742   0.00000  -0.00076  -0.00006  -0.00082  -2.20824
   D88        0.91252   0.00000  -0.00102   0.00005  -0.00096   0.91156
   D89        2.04794   0.00000  -0.00073  -0.00009  -0.00082   2.04712
   D90       -1.11530   0.00000  -0.00099   0.00003  -0.00097  -1.11627
   D91        3.11825   0.00000  -0.00027   0.00011  -0.00016   3.11809
   D92        0.01562   0.00000  -0.00032   0.00011  -0.00021   0.01542
   D93       -0.00445   0.00000  -0.00005   0.00001  -0.00004  -0.00449
   D94       -3.10707   0.00000  -0.00009   0.00001  -0.00008  -3.10716
   D95       -3.11856   0.00000   0.00022  -0.00009   0.00013  -3.11843
   D96       -0.00832   0.00000   0.00020   0.00000   0.00019  -0.00813
   D97        0.00666   0.00000   0.00002   0.00000   0.00002   0.00668
   D98        3.11690   0.00000   0.00000   0.00008   0.00008   3.11699
   D99        0.00062   0.00000   0.00006  -0.00002   0.00004   0.00066
   D100      -2.91210   0.00000   0.00011   0.00008   0.00019  -2.91191
   D101       3.10659   0.00000   0.00010  -0.00002   0.00008   3.10667
   D102       0.19387   0.00000   0.00015   0.00008   0.00023   0.19410
   D103      -0.00663   0.00000   0.00001  -0.00001   0.00001  -0.00662
   D104       3.09504   0.00000   0.00017   0.00000   0.00017   3.09521
   D105      -3.11678   0.00000   0.00003  -0.00009  -0.00006  -3.11684
   D106      -0.01512   0.00000   0.00019  -0.00008   0.00010  -0.01502
   D107       0.00368   0.00000  -0.00004   0.00001  -0.00003   0.00366
   D108       2.91727  -0.00001  -0.00010  -0.00013  -0.00024   2.91703
   D109      -3.09820   0.00000  -0.00019   0.00001  -0.00019  -3.09839
   D110      -0.18462  -0.00001  -0.00026  -0.00014  -0.00040  -0.18501
   D111      -0.47438  -0.00001   0.00080  -0.00019   0.00061  -0.47377
   D112      -2.05720   0.00001   0.00101  -0.00015   0.00086  -2.05634
   D113       1.21665   0.00001   0.00082  -0.00018   0.00064   1.21729
   D114       2.79113   0.00000   0.00100  -0.00014   0.00086   2.79199
   D115       2.38526  -0.00001  -0.00130  -0.00096  -0.00226   2.38300
   D116       2.93848  -0.00001   0.00087  -0.00004   0.00082   2.93930
   D117       1.35566   0.00001   0.00107   0.00000   0.00107   1.35672
   D118      -1.65368   0.00001   0.00089  -0.00004   0.00085  -1.65283
   D119      -0.07920   0.00000   0.00106   0.00000   0.00107  -0.07813
   D120      -0.48507   0.00000  -0.00124  -0.00081  -0.00205  -0.48712
   D121      -1.05675   0.00000   0.00001  -0.00003  -0.00003  -1.05678
   D122       3.10086   0.00000   0.00004  -0.00003   0.00001   3.10087
   D123       1.07672   0.00000   0.00002  -0.00002   0.00000   1.07673
   D124       1.05174   0.00000   0.00001  -0.00003  -0.00003   1.05171
   D125      -1.07384   0.00000   0.00004  -0.00003   0.00002  -1.07383
   D126      -3.09797   0.00000   0.00002  -0.00002   0.00001  -3.09797
   D127      -3.13858   0.00000  -0.00003  -0.00003  -0.00007  -3.13865
   D128       1.01902   0.00000   0.00000  -0.00003  -0.00002   1.01900
   D129      -1.00511   0.00000  -0.00002  -0.00002  -0.00004  -1.00515
   D130       0.37601   0.00000  -0.00077  -0.00040  -0.00116   0.37485
   D131      -2.75787   0.00000  -0.00083  -0.00036  -0.00119  -2.75906
   D132       2.49907   0.00000  -0.00081  -0.00040  -0.00121   2.49786
   D133      -0.63481   0.00000  -0.00087  -0.00037  -0.00124  -0.63605
   D134      -1.74989   0.00000  -0.00081  -0.00041  -0.00122  -1.75111
   D135       1.39941   0.00000  -0.00087  -0.00037  -0.00124   1.39817
   D136      -3.12756   0.00000   0.00002   0.00008   0.00010  -3.12746
   D137       0.01171   0.00000  -0.00010   0.00009  -0.00001   0.01169
   D138       0.00738   0.00000   0.00007   0.00005   0.00012   0.00750
   D139      -3.13654   0.00000  -0.00005   0.00006   0.00001  -3.13653
   D140       3.12833   0.00000  -0.00003  -0.00010  -0.00013   3.12820
   D141       0.00284   0.00000   0.00016  -0.00005   0.00010   0.00295
   D142      -0.00733   0.00000  -0.00008  -0.00007  -0.00015  -0.00748
   D143      -3.13281   0.00000   0.00011  -0.00003   0.00008  -3.13273
   D144      -0.00475   0.00000  -0.00004  -0.00001  -0.00005  -0.00480
   D145       2.96090  -0.00001   0.00003  -0.00026  -0.00023   2.96067
   D146       3.13895   0.00000   0.00007  -0.00002   0.00005   3.13901
   D147      -0.17858  -0.00001   0.00014  -0.00026  -0.00012  -0.17870
   D148       0.00472   0.00000   0.00006   0.00007   0.00013   0.00485
   D149      -3.11286   0.00000   0.00009   0.00001   0.00010  -3.11276
   D150       3.13017   0.00000  -0.00013   0.00002  -0.00011   3.13007
   D151       0.01260   0.00000  -0.00010  -0.00004  -0.00014   0.01246
   D152      -0.00003   0.00000  -0.00001  -0.00004  -0.00005  -0.00008
   D153      -2.96837   0.00001  -0.00008   0.00021   0.00013  -2.96825
   D154       3.11773   0.00000  -0.00004   0.00002  -0.00002   3.11771
   D155       0.14939   0.00001  -0.00012   0.00027   0.00015   0.14954
   D156      -1.44561   0.00000   0.00011   0.00021   0.00032  -1.44529
   D157       0.26857   0.00001   0.00007   0.00010   0.00017   0.26874
   D158       2.81326   0.00000   0.00056   0.00014   0.00070   2.81397
   D159       1.73508   0.00000  -0.00005   0.00000  -0.00005   1.73503
   D160      -3.11021   0.00000   0.00014   0.00012   0.00026  -3.10995
   D161       1.48864   0.00000   0.00020  -0.00009   0.00011   1.48876
   D162      -3.08036   0.00001   0.00016  -0.00020  -0.00004  -3.08040
   D163      -0.53567   0.00000   0.00065  -0.00015   0.00049  -0.53517
   D164      -1.61385   0.00000   0.00003  -0.00029  -0.00026  -1.61411
   D165      -0.17596   0.00000   0.00023  -0.00018   0.00006  -0.17590
   D166       1.73750   0.00000  -0.00133  -0.00100  -0.00233   1.73517
   D167      -0.58685   0.00000  -0.00107  -0.00079  -0.00185  -0.58871
   D168       0.01743  -0.00002  -0.00129  -0.00089  -0.00218   0.01525
   D169      -2.30692  -0.00002  -0.00103  -0.00067  -0.00170  -2.30863
   D170      -2.53453  -0.00001  -0.00180  -0.00094  -0.00274  -2.53727
   D171       1.42430   0.00000  -0.00154  -0.00072  -0.00226   1.42204
   D172      -1.46976   0.00000  -0.00119  -0.00080  -0.00199  -1.47175
   D173       2.48907   0.00000  -0.00093  -0.00059  -0.00152   2.48755
   D174      -2.89651  -0.00001  -0.00140  -0.00093  -0.00233  -2.89884
   D175       1.06233  -0.00001  -0.00114  -0.00071  -0.00186   1.06047
   D176       1.00503   0.00000   0.00171   0.00158   0.00329   1.00832
   D177       3.03172   0.00000   0.00039   0.00014   0.00053   3.03224
   D178       1.29602   0.00000   0.00017   0.00009   0.00026   1.29628
   D179      -1.63754   0.00000   0.00010   0.00006   0.00017  -1.63738
   D180      -0.20692  -0.00001  -0.00017  -0.00006  -0.00023  -0.20714
   D181       2.08805   0.00001   0.00078   0.00028   0.00106   2.08912
   D182      -0.77332   0.00001   0.00287   0.00105   0.00392  -0.76940
   D183      -2.64219  -0.00001   0.00059   0.00026   0.00085  -2.64134
   D184       0.41601   0.00000   0.00073   0.00028   0.00101   0.41703
   D185      -1.18201   0.00000   0.00057   0.00024   0.00081  -1.18120
   D186      -2.38851   0.00000   0.00010   0.00022   0.00033  -2.38819
   D187       0.09513   0.00001  -0.00020   0.00002  -0.00018   0.09496
   D188       2.11891   0.00001   0.00013   0.00019   0.00032   2.11923
   D189      -0.33114   0.00000   0.00012   0.00024   0.00036  -0.33078
   D190       0.90186   0.00000  -0.00005  -0.00015  -0.00020   0.90166
   D191      -2.25897   0.00001  -0.00031   0.00038   0.00007  -2.25891
   D192       0.07774   0.00000   0.00000   0.00020   0.00019   0.07793
   D193      -3.09165   0.00001   0.00030   0.00026   0.00056  -3.09109
   D194      -3.04542  -0.00001   0.00025  -0.00032  -0.00007  -3.04549
   D195       0.06838   0.00000   0.00055  -0.00025   0.00030   0.06868
   D196      -1.14902  -0.00001  -0.00005  -0.00055  -0.00060  -1.14961
   D197       0.89649   0.00000  -0.00006  -0.00054  -0.00061   0.89589
   D198       3.02324   0.00000   0.00001  -0.00052  -0.00051   3.02273
   D199       1.97432   0.00000  -0.00030  -0.00005  -0.00034   1.97398
   D200      -2.26335   0.00000  -0.00031  -0.00004  -0.00035  -2.26370
   D201      -0.13660   0.00000  -0.00024  -0.00002  -0.00026  -0.13686
   D202      -1.44403   0.00000  -0.00016  -0.00018  -0.00034  -1.44437
   D203       0.57668   0.00000  -0.00020  -0.00015  -0.00035   0.57632
   D204       2.65542   0.00000  -0.00021  -0.00014  -0.00036   2.65506
   D205       1.72530   0.00000  -0.00046  -0.00024  -0.00070   1.72460
   D206      -2.53717   0.00000  -0.00050  -0.00021  -0.00071  -2.53789
   D207      -0.45843   0.00000  -0.00051  -0.00021  -0.00072  -0.45916
   D208       0.69670   0.00001   0.00066   0.00037   0.00104   0.69774
   D209      -2.51273   0.00000   0.00055   0.00033   0.00088  -2.51185
   D210      -1.37223   0.00000   0.00068   0.00035   0.00103  -1.37120
   D211       1.70153   0.00000   0.00057   0.00031   0.00088   1.70240
   D212       2.85506   0.00000   0.00071   0.00033   0.00104   2.85610
   D213      -0.35437   0.00000   0.00060   0.00029   0.00089  -0.35348
   D214       1.00828  -0.00001  -0.00097  -0.00042  -0.00139   1.00689
   D215      -2.06063   0.00000  -0.00085  -0.00037  -0.00122  -2.06186
   D216       0.00026   0.00001   0.00058  -0.00001   0.00057   0.00084
   D217      -2.92201   0.00000  -0.00002   0.00013   0.00011  -2.92190
   D218       3.07178   0.00000   0.00047  -0.00005   0.00042   3.07219
   D219       0.14950   0.00000  -0.00013   0.00009  -0.00005   0.14946
   D220      -2.45011   0.00001   0.00055  -0.00014   0.00042  -2.44969
   D221      -0.36253   0.00001   0.00060  -0.00015   0.00045  -0.36209
   D222       1.71640   0.00000   0.00051  -0.00020   0.00030   1.71671
   D223       0.90800   0.00000  -0.00004   0.00000  -0.00003   0.90796
   D224       2.99557   0.00000   0.00001  -0.00001   0.00000   2.99557
   D225      -1.20868   0.00000  -0.00009  -0.00006  -0.00015  -1.20882
         Item               Value     Threshold  Converged?
 Maximum Force            0.000036     0.000450     YES
 RMS     Force            0.000007     0.000300     YES
 Maximum Displacement     0.005502     0.001800     NO 
 RMS     Displacement     0.000969     0.001200     YES
 Predicted change in Energy=-1.757085D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.072810    2.537280    3.560035
      2          6           0       -3.330971    1.178821    3.654401
      3          6           0       -2.083145    1.108664    2.818224
      4          6           0       -1.698233    0.255302    1.794919
      5          7           0       -1.006958    1.997572    2.973160
      6          6           0       -0.029753    1.665459    2.067197
      7          7           0       -0.416890    0.610448    1.335401
      8          6           0       -5.230240    0.899596    0.145165
      9          6           0       -5.867164   -0.171295   -0.767534
     10          6           0       -5.240334   -1.574742   -0.579185
     11          6           0       -3.758076   -1.573867   -0.944582
     12          8           0       -3.363512   -1.078199   -2.052312
     13          8           0       -2.910578   -2.071194   -0.039605
     14          6           0       -2.266125    4.241844   -2.980194
     15          6           0       -0.992398    3.845512   -3.755858
     16          6           0       -0.191911    2.767672   -3.073065
     17          6           0       -0.321006    2.125270   -1.851112
     18          7           0        0.931842    2.171057   -3.670740
     19          6           0        1.429694    1.209925   -2.825619
     20          7           0        0.690794    1.160013   -1.708817
     21          6           0        4.685631    4.002477    1.493415
     22          6           0        5.163516    2.622408    1.995273
     23          6           0        4.193763    1.523941    1.650814
     24          6           0        3.202686    1.432237    0.683903
     25          7           0        4.136028    0.299489    2.335613
     26          6           0        3.135618   -0.470448    1.786593
     27          7           0        2.553733    0.193909    0.782510
     28         30           0        0.758900   -0.394310   -0.223159
     29          1           0       -4.986744    2.512905    4.164914
     30          1           0       -4.354079    2.757670    2.524343
     31          1           0       -3.456246    3.367662    3.931387
     32          1           0       -3.998815    0.375855    3.324579
     33          1           0       -3.090463    0.969432    4.707691
     34          1           0       -2.250643   -0.565309    1.359671
     35          1           0       -0.966233    2.762146    3.634360
     36          1           0        0.908378    2.187711    1.977397
     37          1           0       -4.159950    1.011051   -0.070128
     38          1           0       -5.341822    0.627290    1.204468
     39          1           0       -5.710785    1.875979   -0.004215
     40          1           0       -6.946016   -0.233089   -0.565709
     41          1           0       -5.745262    0.122459   -1.817362
     42          1           0       -5.353736   -1.924491    0.453357
     43          1           0       -5.754877   -2.289410   -1.237189
     44          1           0       -2.935735    3.382500   -2.857498
     45          1           0       -2.811061    5.022075   -3.522988
     46          1           0       -2.020584    4.634199   -1.985282
     47          1           0       -1.279066    3.499606   -4.760359
     48          1           0       -0.363125    4.736950   -3.901177
     49          1           0       -1.074386    2.263451   -1.094042
     50          1           0        1.295772    2.394668   -4.588407
     51          1           0        2.264340    0.563567   -3.040874
     52          1           0        4.573814    4.012254    0.402418
     53          1           0        3.722122    4.274798    1.940751
     54          1           0        5.414518    4.776678    1.757716
     55          1           0        5.304802    2.660656    3.085389
     56          1           0        6.150552    2.401698    1.562778
     57          1           0        2.914561    2.156171   -0.060128
     58          1           0        4.724219    0.033811    3.115455
     59          1           0        2.844525   -1.451119    2.125486
     60          8           0       -0.792023   -1.393745   -1.070581
     61          1           0       -1.224850   -1.056400   -1.888280
     62          1           0       -1.658473   -1.783163   -0.519508
     63          6           0        2.982753   -2.516746   -1.581223
     64          8           0        2.282629   -1.466693   -1.704244
     65          7           0        2.440844   -3.709856   -1.191824
     66          6           0        1.004077   -3.900098   -0.977779
     67          6           0        0.525815   -3.441095    0.407553
     68          8           0        0.990575   -2.371354    0.926470
     69          7           0       -0.448705   -4.178552    0.980183
     70          1           0        0.450129   -3.264273   -1.680350
     71          1           0        0.751638   -4.949039   -1.165789
     72          1           0        3.056330   -4.504674   -1.067740
     73          1           0       -0.804153   -4.981912    0.471939
     74          6           0       -1.214075   -3.748844    2.166761
     75          1           0       -1.373995   -4.603639    2.831942
     76          1           0       -0.641111   -2.981408    2.691052
     77          1           0       -2.173191   -3.328004    1.842655
     78          6           0        4.469826   -2.509229   -1.886360
     79          1           0        4.615622   -2.323937   -2.957185
     80          1           0        4.943022   -1.685764   -1.342100
     81          1           0        4.969694   -3.447672   -1.625340
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968749      0.0727401      0.0659961
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.5343807861 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122064.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000105    0.000012    0.000022 Ang=   0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97581982     A.U. after    8 cycles
            NFock=  8  Conv=0.38D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122064.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000002347   -0.000012366   -0.000001487
      3        6           0.000010249   -0.000004708   -0.000010462
      4        6          -0.000026576    0.000024665   -0.000001020
      5        7           0.000005108   -0.000006474   -0.000004225
      6        6           0.000002395    0.000012742    0.000007380
      7        7          -0.000004844   -0.000037713    0.000000981
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000002220    0.000004263   -0.000005905
     10        6          -0.000004469    0.000003020    0.000006490
     11        6           0.000027076   -0.000021319   -0.000027121
     12        8          -0.000009659   -0.000005619    0.000003964
     13        8          -0.000044984   -0.000017925   -0.000006475
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000000736   -0.000001155   -0.000006098
     16        6           0.000009581    0.000003931    0.000013823
     17        6           0.000008168    0.000010720    0.000003428
     18        7          -0.000007122    0.000002096   -0.000014529
     19        6           0.000018539   -0.000005950    0.000009091
     20        7          -0.000039999   -0.000013412   -0.000026859
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000002262   -0.000001830    0.000000710
     23        6          -0.000003624   -0.000005400   -0.000011685
     24        6           0.000013215   -0.000006110    0.000016289
     25        7           0.000002804    0.000004065    0.000008214
     26        6           0.000006731   -0.000004967    0.000003286
     27        7          -0.000019062   -0.000003064   -0.000002031
     28       30          -0.000000913    0.000087429    0.000024294
     29        1           0.000002396    0.000003721    0.000002469
     30        1           0.000001824   -0.000002167   -0.000003752
     31        1          -0.000002789   -0.000005653    0.000002193
     32        1           0.000005123    0.000006307   -0.000002625
     33        1          -0.000006705    0.000004584    0.000006961
     34        1          -0.000000213   -0.000005251    0.000001788
     35        1           0.000001083    0.000002532    0.000001865
     36        1          -0.000002895    0.000001868    0.000001488
     37        1          -0.000000648    0.000000491   -0.000001065
     38        1          -0.000002878    0.000000502    0.000001644
     39        1          -0.000003942    0.000001795   -0.000000302
     40        1          -0.000000924   -0.000000978   -0.000001095
     41        1           0.000000755   -0.000000611    0.000001515
     42        1          -0.000002502   -0.000002335   -0.000001168
     43        1          -0.000000382    0.000003743   -0.000000352
     44        1           0.000001127   -0.000001750    0.000000455
     45        1           0.000001395    0.000000956   -0.000000019
     46        1          -0.000002434   -0.000001058    0.000002743
     47        1           0.000001051    0.000001004    0.000002011
     48        1          -0.000001798   -0.000000309    0.000001182
     49        1          -0.000000150   -0.000000137   -0.000002049
     50        1          -0.000001687   -0.000004353    0.000003358
     51        1           0.000000252    0.000002140   -0.000002240
     52        1           0.000000040   -0.000000285   -0.000001554
     53        1          -0.000002767   -0.000000156   -0.000001769
     54        1          -0.000001992   -0.000000553    0.000000751
     55        1           0.000003299    0.000000353    0.000002257
     56        1          -0.000002213    0.000001446    0.000001734
     57        1          -0.000004915   -0.000000637   -0.000005339
     58        1          -0.000000159    0.000000395    0.000000018
     59        1          -0.000006112    0.000001315   -0.000005979
     60        8          -0.000037563   -0.000057907   -0.000024554
     61        1           0.000041142    0.000033597    0.000011594
     62        1           0.000035861    0.000043312    0.000035333
     63        6          -0.000013822   -0.000034082    0.000030726
     64        8           0.000016037    0.000003302   -0.000021437
     65        7           0.000000067    0.000017506   -0.000006277
     66        6           0.000007070   -0.000006422   -0.000000395
     67        6          -0.000018073    0.000022373   -0.000006774
     68        8           0.000028396   -0.000037201    0.000000461
     69        7          -0.000006577   -0.000001687   -0.000007523
     70        1          -0.000002402   -0.000001085   -0.000000547
     71        1           0.000001617   -0.000000348   -0.000000160
     72        1           0.000000535    0.000001338   -0.000000843
     73        1           0.000004410   -0.000003158   -0.000002596
     74        6           0.000013042    0.000014709    0.000005631
     75        1          -0.000007288   -0.000004990    0.000001785
     76        1           0.000003168   -0.000003727    0.000000493
     77        1          -0.000003571   -0.000007294    0.000003760
     78        6           0.000011858    0.000005481   -0.000003511
     79        1          -0.000006585   -0.000001088   -0.000001424
     80        1           0.000003466   -0.000000090    0.000000047
     81        1          -0.000000034    0.000001546   -0.000000538
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000087429 RMS     0.000013173

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000042984 RMS     0.000005687
 Search for a local minimum.
 Step number  54 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50   51   52   53   54
 DE= -5.38D-07 DEPred=-1.76D-07 R= 3.06D+00
 Trust test= 3.06D+00 RLast= 1.28D-02 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00063   0.00076   0.00111   0.00175   0.00210
     Eigenvalues ---    0.00230   0.00231   0.00234   0.00241   0.00258
     Eigenvalues ---    0.00318   0.00415   0.00460   0.00535   0.00566
     Eigenvalues ---    0.00632   0.00703   0.00801   0.00874   0.00890
     Eigenvalues ---    0.00936   0.01157   0.01241   0.01285   0.01367
     Eigenvalues ---    0.01417   0.01596   0.01690   0.01742   0.01792
     Eigenvalues ---    0.01831   0.01851   0.01914   0.01940   0.02041
     Eigenvalues ---    0.02122   0.02187   0.02257   0.02293   0.02340
     Eigenvalues ---    0.02369   0.02478   0.02524   0.02772   0.03038
     Eigenvalues ---    0.03399   0.03638   0.03715   0.03886   0.03997
     Eigenvalues ---    0.04058   0.04129   0.04207   0.04262   0.04411
     Eigenvalues ---    0.04576   0.04838   0.04922   0.05044   0.05246
     Eigenvalues ---    0.05305   0.05342   0.05381   0.05389   0.05398
     Eigenvalues ---    0.05430   0.05470   0.05509   0.05510   0.05540
     Eigenvalues ---    0.05553   0.05666   0.06124   0.06361   0.06916
     Eigenvalues ---    0.07226   0.07478   0.07642   0.07736   0.08238
     Eigenvalues ---    0.08310   0.08747   0.09166   0.09320   0.09480
     Eigenvalues ---    0.09679   0.09686   0.10108   0.10285   0.10929
     Eigenvalues ---    0.11125   0.12172   0.12361   0.12594   0.12726
     Eigenvalues ---    0.12926   0.13019   0.13294   0.13382   0.14348
     Eigenvalues ---    0.14548   0.15548   0.15844   0.15880   0.15921
     Eigenvalues ---    0.15968   0.15974   0.15990   0.15992   0.15995
     Eigenvalues ---    0.15998   0.16000   0.16002   0.16003   0.16006
     Eigenvalues ---    0.16008   0.16012   0.16015   0.16020   0.16034
     Eigenvalues ---    0.16043   0.16054   0.16059   0.16086   0.16126
     Eigenvalues ---    0.16168   0.16200   0.16254   0.16373   0.16425
     Eigenvalues ---    0.16578   0.17540   0.18062   0.19902   0.20522
     Eigenvalues ---    0.21125   0.21513   0.22131   0.22336   0.22408
     Eigenvalues ---    0.22749   0.22909   0.23138   0.23291   0.23659
     Eigenvalues ---    0.23897   0.24120   0.24159   0.24528   0.24979
     Eigenvalues ---    0.25111   0.25450   0.26462   0.27462   0.27687
     Eigenvalues ---    0.28191   0.28231   0.28385   0.28777   0.30227
     Eigenvalues ---    0.30411   0.30892   0.31041   0.31549   0.31732
     Eigenvalues ---    0.32000   0.33559   0.33627   0.33643   0.33661
     Eigenvalues ---    0.33674   0.33785   0.33819   0.33862   0.33880
     Eigenvalues ---    0.33919   0.33929   0.33948   0.33984   0.34004
     Eigenvalues ---    0.34012   0.34038   0.34058   0.34084   0.34091
     Eigenvalues ---    0.34142   0.34166   0.34182   0.34191   0.34204
     Eigenvalues ---    0.34250   0.34304   0.34333   0.34462   0.34696
     Eigenvalues ---    0.35292   0.35754   0.35891   0.36190   0.36240
     Eigenvalues ---    0.36342   0.36490   0.36567   0.37479   0.39102
     Eigenvalues ---    0.39323   0.39688   0.42393   0.42634   0.42898
     Eigenvalues ---    0.45270   0.45342   0.45467   0.45573   0.45583
     Eigenvalues ---    0.45625   0.45694   0.46189   0.48765   0.49170
     Eigenvalues ---    0.49432   0.49798   0.50081   0.52628   0.54491
     Eigenvalues ---    0.54893   0.55098   0.56637   0.65726   0.73321
     Eigenvalues ---    0.767231000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    54   53   52   51   50
 RFO step:  Lambda=-3.98591791D-08.
 DidBck=F Rises=F RFO-DIIS coefs:    1.52442   -0.22080   -0.64453    0.36148   -0.02057
 Iteration  1 RMS(Cart)=  0.00083646 RMS(Int)=  0.00000045
 Iteration  2 RMS(Cart)=  0.00000072 RMS(Int)=  0.00000025
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00000   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00000   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00001   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00000   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867  -0.00001   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93038   0.00000   0.00004  -0.00002   0.00003   2.93040
    R2        2.07160   0.00000   0.00000   0.00001   0.00000   2.07160
    R3        2.07039   0.00000   0.00004  -0.00001   0.00003   2.07041
    R4        2.07662   0.00001   0.00004  -0.00001   0.00003   2.07665
    R5        2.84163   0.00000   0.00001   0.00000   0.00001   2.84164
    R6        2.06971   0.00001   0.00003  -0.00001   0.00002   2.06973
    R7        2.07965   0.00001   0.00004  -0.00001   0.00003   2.07968
    R8        2.62089   0.00001   0.00001   0.00001   0.00001   2.62090
    R9        2.65393   0.00000  -0.00003   0.00001  -0.00003   2.65391
   R10        2.65849   0.00000  -0.00002   0.00001  -0.00001   2.65849
   R11        2.04230  -0.00001   0.00000  -0.00001  -0.00001   2.04229
   R12        2.59519   0.00000   0.00004  -0.00001   0.00003   2.59522
   R13        1.91172   0.00000   0.00000   0.00000   0.00000   1.91172
   R14        2.53424   0.00000  -0.00003   0.00000  -0.00003   2.53421
   R15        2.03609   0.00000   0.00000   0.00000   0.00000   2.03608
   R16        4.14928   0.00000  -0.00002  -0.00006  -0.00007   4.14921
   R17        2.91869   0.00000   0.00000   0.00000   0.00000   2.91869
   R18        2.07379   0.00000  -0.00002   0.00000  -0.00001   2.07378
   R19        2.07760   0.00000   0.00000   0.00000   0.00000   2.07761
   R20        2.07574   0.00000   0.00002  -0.00001   0.00001   2.07575
   R21        2.92637   0.00000   0.00001  -0.00001  -0.00001   2.92636
   R22        2.07739   0.00000   0.00000   0.00000   0.00000   2.07739
   R23        2.07293   0.00000  -0.00001   0.00000  -0.00001   2.07291
   R24        2.88492   0.00000   0.00004  -0.00002   0.00003   2.88494
   R25        2.07124   0.00000   0.00001  -0.00001   0.00001   2.07124
   R26        2.07739   0.00000   0.00000   0.00001   0.00001   2.07739
   R27        2.41148  -0.00001   0.00003   0.00004   0.00007   2.41155
   R28        2.52444   0.00002  -0.00002  -0.00005  -0.00006   2.52438
   R29        4.05357  -0.00001  -0.00005  -0.00194  -0.00199   4.05158
   R30        2.59178  -0.00004  -0.00002   0.00049   0.00047   2.59224
   R31        2.91601   0.00000   0.00001   0.00000   0.00001   2.91602
   R32        2.07173   0.00000   0.00000  -0.00001   0.00000   2.07173
   R33        2.07039   0.00000   0.00000   0.00000   0.00000   2.07038
   R34        2.07361   0.00000   0.00000   0.00000   0.00001   2.07362
   R35        2.84636   0.00000  -0.00001   0.00001   0.00000   2.84636
   R36        2.07943   0.00000   0.00000   0.00000   0.00000   2.07943
   R37        2.08022   0.00000   0.00001   0.00000   0.00001   2.08022
   R38        2.62020   0.00000   0.00002   0.00000   0.00001   2.62021
   R39        2.65638   0.00001  -0.00005   0.00002  -0.00003   2.65636
   R40        2.65620   0.00001  -0.00001   0.00002   0.00000   2.65620
   R41        2.03515   0.00000   0.00000   0.00000   0.00000   2.03515
   R42        2.59510   0.00000   0.00003   0.00000   0.00002   2.59512
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53231  -0.00001   0.00000  -0.00001  -0.00001   2.53230
   R45        2.03595   0.00000  -0.00001   0.00000  -0.00001   2.03595
   R46        4.06521   0.00001   0.00025   0.00002   0.00027   4.06548
   R47        2.91828   0.00000  -0.00003  -0.00001  -0.00004   2.91824
   R48        2.07257   0.00000   0.00000   0.00000   0.00000   2.07257
   R49        2.07235   0.00000   0.00001  -0.00001   0.00001   2.07235
   R50        2.07054   0.00000   0.00000   0.00000   0.00000   2.07054
   R51        2.84446   0.00000   0.00000  -0.00001  -0.00001   2.84445
   R52        2.07851   0.00000   0.00001   0.00000   0.00001   2.07852
   R53        2.07870   0.00000   0.00000   0.00000   0.00000   2.07871
   R54        2.62227   0.00000   0.00000   0.00000   0.00000   2.62227
   R55        2.65341   0.00000   0.00002   0.00000   0.00002   2.65343
   R56        2.64853   0.00000  -0.00001   0.00001   0.00000   2.64853
   R57        2.03589   0.00000   0.00000   0.00000   0.00000   2.03589
   R58        2.60141   0.00000   0.00001   0.00000   0.00000   2.60141
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52697   0.00000  -0.00001   0.00000  -0.00002   2.52695
   R61        2.03644   0.00000   0.00000   0.00000   0.00000   2.03644
   R62        4.04366   0.00001  -0.00002   0.00003   0.00001   4.04367
   R63        3.83682  -0.00001   0.00007  -0.00001   0.00007   3.83689
   R64        4.49793  -0.00001   0.00009   0.00000   0.00009   4.49803
   R65        4.34391  -0.00003  -0.00061  -0.00029  -0.00090   4.34301
   R66        1.86094   0.00001  -0.00002   0.00005   0.00004   1.86098
   R67        2.07531   0.00002   0.00006  -0.00026  -0.00019   2.07512
   R68        2.39624  -0.00001   0.00002  -0.00002   0.00000   2.39625
   R69        2.58334   0.00002   0.00001   0.00001   0.00002   2.58336
   R70        2.86875  -0.00001   0.00000  -0.00001  -0.00001   2.86874
   R71        2.76850   0.00000   0.00001  -0.00001   0.00000   2.76850
   R72        1.91409   0.00000   0.00001   0.00000   0.00001   1.91410
   R73        2.90217   0.00000   0.00002  -0.00001   0.00001   2.90218
   R74        2.07417   0.00000   0.00000   0.00000   0.00000   2.07417
   R75        2.06953   0.00000   0.00000   0.00000   0.00000   2.06953
   R76        2.41236   0.00001  -0.00003   0.00002  -0.00001   2.41235
   R77        2.55039   0.00000   0.00000   0.00000   0.00000   2.55038
   R78        1.91790   0.00000  -0.00001   0.00000  -0.00001   1.91790
   R79        2.78913   0.00001  -0.00002   0.00003   0.00000   2.78913
   R80        2.06898   0.00000   0.00000   0.00000   0.00000   2.06898
   R81        2.06329   0.00000   0.00001   0.00000   0.00001   2.06329
   R82        2.07186   0.00000   0.00001  -0.00001   0.00000   2.07186
   R83        2.07204   0.00000   0.00001   0.00000   0.00001   2.07205
   R84        2.06856   0.00000  -0.00001   0.00000  -0.00001   2.06855
   R85        2.06895   0.00000   0.00001   0.00000   0.00000   2.06895
    A1        1.92386   0.00000  -0.00002   0.00000  -0.00002   1.92384
    A2        1.93538   0.00000   0.00002  -0.00001   0.00001   1.93540
    A3        1.95303   0.00000   0.00002   0.00000   0.00002   1.95305
    A4        1.88814   0.00000  -0.00002   0.00001  -0.00001   1.88813
    A5        1.87350   0.00000  -0.00003   0.00001  -0.00002   1.87348
    A6        1.88756   0.00000   0.00002  -0.00001   0.00002   1.88757
    A7        1.98670   0.00001  -0.00002   0.00003   0.00001   1.98671
    A8        1.90946   0.00000  -0.00001   0.00001  -0.00001   1.90945
    A9        1.90654   0.00000   0.00003  -0.00002   0.00000   1.90655
   A10        1.88004   0.00000  -0.00001   0.00001   0.00000   1.88004
   A11        1.91982  -0.00001   0.00000  -0.00002  -0.00003   1.91980
   A12        1.85666   0.00000   0.00002  -0.00001   0.00001   1.85668
   A13        2.30405   0.00001  -0.00003   0.00002  -0.00001   2.30404
   A14        2.14720  -0.00001   0.00002  -0.00003   0.00000   2.14720
   A15        1.83193   0.00000   0.00000   0.00001   0.00001   1.83194
   A16        1.91607   0.00000  -0.00001  -0.00001  -0.00002   1.91604
   A17        2.24271   0.00000   0.00000  -0.00001  -0.00002   2.24269
   A18        2.12432   0.00000   0.00001   0.00003   0.00004   2.12436
   A19        1.89592   0.00000   0.00000   0.00000   0.00000   1.89592
   A20        2.19114   0.00000   0.00000   0.00000   0.00000   2.19115
   A21        2.19604   0.00000   0.00000   0.00000   0.00000   2.19604
   A22        1.92284   0.00000  -0.00002   0.00001  -0.00001   1.92283
   A23        2.16195   0.00000   0.00001   0.00000   0.00000   2.16195
   A24        2.19838   0.00000   0.00001   0.00000   0.00001   2.19839
   A25        1.85802   0.00000   0.00002   0.00000   0.00003   1.85805
   A26        2.21939  -0.00002  -0.00036  -0.00009  -0.00045   2.21894
   A27        2.20526   0.00002   0.00033   0.00009   0.00042   2.20568
   A28        1.93551   0.00000   0.00004  -0.00003   0.00001   1.93551
   A29        1.93455   0.00000   0.00000   0.00000   0.00000   1.93455
   A30        1.93429   0.00000  -0.00004   0.00002  -0.00002   1.93427
   A31        1.88932   0.00000   0.00005  -0.00001   0.00004   1.88936
   A32        1.88569   0.00000  -0.00001   0.00001  -0.00001   1.88568
   A33        1.88262   0.00000  -0.00003   0.00001  -0.00002   1.88260
   A34        1.97097  -0.00001   0.00001  -0.00004  -0.00003   1.97095
   A35        1.91260   0.00000  -0.00004   0.00003  -0.00001   1.91259
   A36        1.91139   0.00000   0.00001  -0.00003  -0.00001   1.91138
   A37        1.90072   0.00000   0.00002   0.00000   0.00003   1.90075
   A38        1.89032   0.00001  -0.00004   0.00004   0.00000   1.89032
   A39        1.87530   0.00000   0.00004  -0.00001   0.00004   1.87534
   A40        1.94269   0.00000  -0.00005   0.00003  -0.00002   1.94268
   A41        1.94110   0.00000   0.00001   0.00001   0.00002   1.94112
   A42        1.90384   0.00000   0.00003   0.00002   0.00006   1.90389
   A43        1.90299   0.00000   0.00005  -0.00005   0.00000   1.90299
   A44        1.88764   0.00000  -0.00002   0.00000  -0.00002   1.88762
   A45        1.88389   0.00000  -0.00003  -0.00001  -0.00004   1.88385
   A46        2.10389   0.00002  -0.00010   0.00000  -0.00010   2.10379
   A47        2.04161  -0.00002   0.00003  -0.00001   0.00003   2.04164
   A48        2.13709   0.00000   0.00006   0.00000   0.00007   2.13716
   A49        1.81918  -0.00001  -0.00015   0.00011  -0.00005   1.81914
   A50        1.83792   0.00001   0.00010  -0.00006   0.00004   1.83796
   A51        1.93810   0.00000   0.00002   0.00000   0.00002   1.93811
   A52        1.92243   0.00000  -0.00003   0.00001  -0.00001   1.92242
   A53        1.94217   0.00000  -0.00001   0.00000  -0.00001   1.94215
   A54        1.88585   0.00000   0.00004  -0.00001   0.00003   1.88588
   A55        1.89175   0.00000  -0.00001   0.00000  -0.00001   1.89174
   A56        1.88164   0.00000   0.00000   0.00000  -0.00001   1.88163
   A57        1.97644   0.00001   0.00003   0.00001   0.00004   1.97648
   A58        1.90135   0.00000   0.00002   0.00000   0.00002   1.90137
   A59        1.90734   0.00000  -0.00005   0.00000  -0.00005   1.90729
   A60        1.90426   0.00000  -0.00003   0.00001  -0.00002   1.90424
   A61        1.91296   0.00000   0.00003  -0.00002   0.00001   1.91297
   A62        1.85769   0.00000   0.00000   0.00000   0.00000   1.85769
   A63        2.32069   0.00001   0.00000   0.00002   0.00001   2.32070
   A64        2.13629  -0.00001   0.00000  -0.00001  -0.00001   2.13628
   A65        1.82606   0.00000   0.00000  -0.00001  -0.00001   1.82605
   A66        1.91810   0.00000   0.00000   0.00001   0.00001   1.91811
   A67        2.24620   0.00000  -0.00006   0.00000  -0.00006   2.24614
   A68        2.11824   0.00000   0.00005  -0.00001   0.00005   2.11829
   A69        1.90203   0.00000   0.00000   0.00000   0.00000   1.90203
   A70        2.18846   0.00000   0.00002   0.00000   0.00002   2.18848
   A71        2.19223   0.00000  -0.00002   0.00000  -0.00002   2.19221
   A72        1.91671   0.00001   0.00000   0.00001   0.00001   1.91672
   A73        2.18681   0.00000  -0.00001   0.00000  -0.00002   2.18679
   A74        2.17893   0.00000   0.00002  -0.00001   0.00001   2.17894
   A75        1.86186   0.00000  -0.00001  -0.00001  -0.00001   1.86185
   A76        2.20047  -0.00002  -0.00020  -0.00008  -0.00028   2.20019
   A77        2.19570   0.00002   0.00015   0.00007   0.00022   2.19592
   A78        1.94205   0.00000   0.00001   0.00000   0.00001   1.94206
   A79        1.94039   0.00000   0.00001   0.00001   0.00001   1.94041
   A80        1.92538   0.00000   0.00003  -0.00002   0.00001   1.92539
   A81        1.89018   0.00000  -0.00001   0.00001   0.00000   1.89018
   A82        1.87704   0.00000   0.00000   0.00000   0.00000   1.87704
   A83        1.88664   0.00000  -0.00004   0.00001  -0.00003   1.88661
   A84        1.95890   0.00000  -0.00001  -0.00001  -0.00001   1.95888
   A85        1.90791   0.00000  -0.00002   0.00000  -0.00001   1.90789
   A86        1.90626   0.00000   0.00003   0.00000   0.00004   1.90630
   A87        1.91234   0.00000  -0.00002   0.00000  -0.00002   1.91232
   A88        1.91952   0.00000   0.00001   0.00000   0.00001   1.91952
   A89        1.85604   0.00000   0.00000   0.00001   0.00000   1.85605
   A90        2.30208   0.00000   0.00004   0.00000   0.00004   2.30212
   A91        2.15468   0.00000  -0.00004   0.00000  -0.00004   2.15464
   A92        1.82641   0.00000   0.00000   0.00000   0.00000   1.82641
   A93        1.91778   0.00000   0.00000   0.00000   0.00000   1.91779
   A94        2.24955   0.00000   0.00001   0.00000   0.00000   2.24955
   A95        2.11585   0.00000  -0.00001   0.00000  -0.00001   2.11585
   A96        1.89981   0.00000  -0.00001   0.00000  -0.00002   1.89979
   A97        2.19038   0.00000  -0.00002   0.00001  -0.00001   2.19037
   A98        2.19287   0.00000   0.00003   0.00000   0.00003   2.19289
   A99        1.91540   0.00000   0.00001   0.00000   0.00001   1.91541
   A100       2.18935   0.00000  -0.00005   0.00000  -0.00005   2.18930
   A101       2.17817   0.00000   0.00004   0.00000   0.00004   2.17821
   A102       1.86535   0.00000   0.00000   0.00000   0.00000   1.86535
   A103       2.21204   0.00000  -0.00004   0.00000  -0.00003   2.21201
   A104       2.19114   0.00000  -0.00001  -0.00004  -0.00005   2.19109
   A105       1.71391   0.00001  -0.00004   0.00003  -0.00002   1.71390
   A106       1.56057  -0.00001  -0.00011  -0.00006  -0.00017   1.56040
   A107       1.68350   0.00000   0.00020  -0.00003   0.00017   1.68367
   A108       3.00483   0.00000  -0.00007  -0.00001  -0.00008   3.00475
   A109       1.66347  -0.00001   0.00009   0.00000   0.00009   1.66356
   A110       1.72390   0.00000   0.00009   0.00003   0.00012   1.72403
   A111       1.61404  -0.00001  -0.00028  -0.00006  -0.00034   1.61371
   A112       1.48676  -0.00001  -0.00024  -0.00004  -0.00028   1.48648
   A113       2.89606   0.00000  -0.00016  -0.00003  -0.00019   2.89587
   A114       2.90520   0.00001   0.00013   0.00007   0.00020   2.90540
   A115       1.44984   0.00001  -0.00006   0.00004  -0.00001   1.44982
   A116       1.48754   0.00001   0.00033   0.00002   0.00035   1.48789
   A117       1.57831   0.00000   0.00005   0.00005   0.00010   1.57841
   A118       1.43272   0.00000  -0.00016   0.00002  -0.00014   1.43258
   A119       1.42951   0.00001   0.00027   0.00002   0.00029   1.42980
   A120       2.11026   0.00002   0.00024   0.00023   0.00047   2.11073
   A121       2.17460   0.00000  -0.00015  -0.00013  -0.00028   2.17432
   A122       1.76335  -0.00002  -0.00011  -0.00023  -0.00033   1.76301
   A123       2.09235   0.00003   0.00024   0.00069   0.00094   2.09328
   A124       2.89738  -0.00001  -0.00017  -0.00047  -0.00064   2.89674
   A125       2.13116   0.00000  -0.00002  -0.00004  -0.00006   2.13110
   A126       2.11444   0.00001  -0.00001   0.00004   0.00003   2.11447
   A127       2.03744   0.00000   0.00003   0.00000   0.00003   2.03747
   A128       2.29987  -0.00001  -0.00020  -0.00008  -0.00028   2.29959
   A129       2.14565   0.00000   0.00001  -0.00005  -0.00004   2.14561
   A130       2.07017   0.00000  -0.00001   0.00003   0.00002   2.07019
   A131       2.06705   0.00000   0.00001   0.00002   0.00003   2.06707
   A132       1.98056  -0.00001   0.00004  -0.00005  -0.00001   1.98054
   A133       1.90309   0.00000   0.00000  -0.00003  -0.00003   1.90305
   A134       1.90218   0.00000   0.00001   0.00001   0.00002   1.90221
   A135       1.82048   0.00000  -0.00006   0.00004  -0.00002   1.82045
   A136       1.94910   0.00000   0.00000   0.00003   0.00003   1.94913
   A137       1.90564   0.00000   0.00000   0.00001   0.00001   1.90565
   A138       2.09874   0.00000   0.00000  -0.00003  -0.00002   2.09871
   A139       2.03118   0.00001   0.00001   0.00003   0.00004   2.03122
   A140       2.15113  -0.00001  -0.00002  -0.00001  -0.00003   2.15110
   A141       2.07229   0.00000   0.00039   0.00013   0.00052   2.07281
   A142       2.06342   0.00000   0.00000   0.00000  -0.00001   2.06341
   A143       2.16092  -0.00001   0.00003  -0.00001   0.00002   2.16094
   A144       2.03917   0.00000   0.00004   0.00001   0.00005   2.03923
   A145       1.91439   0.00000   0.00005   0.00000   0.00005   1.91444
   A146       1.89500   0.00000   0.00000  -0.00002  -0.00002   1.89498
   A147       1.90470   0.00000  -0.00002   0.00003   0.00000   1.90470
   A148       1.91100   0.00000  -0.00002  -0.00001  -0.00002   1.91097
   A149       1.92997   0.00001   0.00008   0.00004   0.00012   1.93009
   A150       1.90839  -0.00001  -0.00009  -0.00003  -0.00012   1.90827
   A151       1.90434   0.00001  -0.00005   0.00006   0.00001   1.90435
   A152       1.90418  -0.00001   0.00000  -0.00003  -0.00003   1.90415
   A153       1.97695   0.00000   0.00001  -0.00001  -0.00001   1.97694
   A154       1.87651   0.00000   0.00002  -0.00001   0.00001   1.87652
   A155       1.89333   0.00000  -0.00001  -0.00001  -0.00002   1.89331
   A156       1.90594   0.00000   0.00004   0.00000   0.00004   1.90598
    D1        3.11044   0.00000  -0.00003   0.00006   0.00003   3.11048
    D2        1.00643   0.00000   0.00001   0.00002   0.00003   1.00646
    D3       -1.01948   0.00000  -0.00002   0.00003   0.00001  -1.01947
    D4        1.01998   0.00000  -0.00001   0.00005   0.00004   1.02002
    D5       -1.08403   0.00000   0.00003   0.00001   0.00004  -1.08400
    D6       -3.10994   0.00000   0.00000   0.00003   0.00002  -3.10992
    D7       -1.08922   0.00000  -0.00007   0.00007   0.00000  -1.08921
    D8        3.08996   0.00000  -0.00003   0.00003   0.00000   3.08995
    D9        1.06405   0.00000  -0.00006   0.00004  -0.00002   1.06403
   D10       -2.12293   0.00000  -0.00048  -0.00043  -0.00091  -2.12384
   D11        1.02004   0.00000  -0.00040  -0.00033  -0.00073   1.01931
   D12       -0.00249   0.00000  -0.00052  -0.00039  -0.00091  -0.00340
   D13        3.14048   0.00000  -0.00043  -0.00029  -0.00072   3.13975
   D14        2.01424   0.00000  -0.00050  -0.00041  -0.00091   2.01333
   D15       -1.12598   0.00000  -0.00042  -0.00030  -0.00072  -1.12670
   D16       -3.13855   0.00000   0.00014  -0.00001   0.00013  -3.13842
   D17        0.01718   0.00000   0.00003   0.00010   0.00013   0.01731
   D18        0.00185  -0.00001   0.00007  -0.00010  -0.00003   0.00182
   D19       -3.12561   0.00000  -0.00004   0.00001  -0.00003  -3.12564
   D20        3.13921   0.00000  -0.00014  -0.00002  -0.00016   3.13905
   D21       -0.01557   0.00000  -0.00015  -0.00003  -0.00017  -0.01574
   D22       -0.00133   0.00000  -0.00008   0.00006  -0.00002  -0.00134
   D23        3.12708   0.00000  -0.00008   0.00005  -0.00003   3.12705
   D24       -0.00170   0.00001  -0.00004   0.00011   0.00006  -0.00163
   D25        3.10708   0.00001  -0.00016   0.00016  -0.00001   3.10708
   D26        3.12689   0.00000   0.00006   0.00001   0.00007   3.12696
   D27       -0.04751   0.00000  -0.00006   0.00006  -0.00001  -0.04752
   D28        0.00031   0.00000   0.00005   0.00001   0.00006   0.00037
   D29       -3.13617   0.00000  -0.00006   0.00001  -0.00004  -3.13622
   D30       -3.12805   0.00000   0.00006   0.00001   0.00007  -3.12798
   D31        0.01865   0.00000  -0.00005   0.00002  -0.00003   0.01862
   D32        0.00083  -0.00001  -0.00001  -0.00007  -0.00007   0.00076
   D33       -3.10830   0.00000   0.00013  -0.00011   0.00002  -3.10828
   D34        3.13718   0.00000   0.00011  -0.00008   0.00003   3.13722
   D35        0.02806   0.00000   0.00024  -0.00012   0.00012   0.02818
   D36        1.95136   0.00000   0.00023   0.00012   0.00035   1.95171
   D37       -2.60781   0.00000   0.00031   0.00014   0.00045  -2.60736
   D38        0.32026   0.00001   0.00049   0.00018   0.00067   0.32092
   D39       -2.32200   0.00000  -0.00233  -0.00004  -0.00237  -2.32437
   D40       -1.12159   0.00000   0.00062   0.00016   0.00078  -1.12080
   D41       -1.22931   0.00000   0.00008   0.00018   0.00025  -1.22906
   D42        0.49471   0.00000   0.00015   0.00020   0.00035   0.49506
   D43       -2.86041   0.00000   0.00033   0.00024   0.00057  -2.85984
   D44        0.78052   0.00000  -0.00248   0.00002  -0.00247   0.77806
   D45        1.98093   0.00000   0.00047   0.00022   0.00069   1.98162
   D46        1.06373   0.00000  -0.00005   0.00008   0.00003   1.06377
   D47       -3.09728   0.00000  -0.00004   0.00008   0.00004  -3.09724
   D48       -1.04430   0.00000  -0.00001   0.00008   0.00007  -1.04423
   D49       -1.03532   0.00000  -0.00013   0.00011  -0.00002  -1.03534
   D50        1.08685   0.00000  -0.00013   0.00012  -0.00001   1.08684
   D51        3.13983   0.00000  -0.00010   0.00011   0.00001   3.13984
   D52       -3.12514   0.00000  -0.00006   0.00008   0.00002  -3.12512
   D53       -1.00297   0.00000  -0.00006   0.00008   0.00003  -1.00295
   D54        1.05001   0.00000  -0.00003   0.00008   0.00005   1.05006
   D55       -1.08461   0.00000   0.00008   0.00007   0.00015  -1.08447
   D56        1.04116   0.00000   0.00012   0.00003   0.00014   1.04130
   D57        3.11706   0.00000   0.00011   0.00003   0.00014   3.11720
   D58        3.06971   0.00000   0.00011   0.00005   0.00016   3.06987
   D59       -1.08771   0.00000   0.00015   0.00001   0.00016  -1.08755
   D60        0.98820   0.00000   0.00014   0.00001   0.00016   0.98836
   D61        1.03538   0.00000   0.00007   0.00004   0.00011   1.03548
   D62       -3.12204   0.00000   0.00011   0.00000   0.00010  -3.12193
   D63       -1.04613   0.00000   0.00010   0.00000   0.00010  -1.04603
   D64       -0.87043   0.00000   0.00032   0.00031   0.00063  -0.86980
   D65        2.23492   0.00000   0.00039   0.00023   0.00061   2.23553
   D66       -3.01819   0.00000   0.00031   0.00032   0.00062  -3.01756
   D67        0.08717   0.00000   0.00037   0.00023   0.00060   0.08777
   D68        1.22071   0.00000   0.00032   0.00036   0.00068   1.22139
   D69       -1.95712   0.00000   0.00039   0.00028   0.00066  -1.95646
   D70        2.98665   0.00001   0.00000   0.00010   0.00010   2.98675
   D71       -0.11667   0.00000  -0.00007   0.00019   0.00012  -0.11655
   D72       -2.99635  -0.00001  -0.00005  -0.00011  -0.00016  -2.99651
   D73        0.10826   0.00000   0.00002  -0.00020  -0.00018   0.10807
   D74        0.00304   0.00000   0.00008  -0.00010  -0.00002   0.00302
   D75        0.22111   0.00000   0.00024  -0.00054  -0.00030   0.22081
   D76       -1.04724   0.00000   0.00011   0.00001   0.00012  -1.04712
   D77        1.07507   0.00000   0.00011   0.00003   0.00014   1.07521
   D78        3.09814   0.00000   0.00009   0.00003   0.00012   3.09825
   D79       -3.13566   0.00000   0.00007   0.00001   0.00008  -3.13558
   D80       -1.01335   0.00000   0.00007   0.00003   0.00010  -1.01325
   D81        1.00971   0.00000   0.00005   0.00003   0.00008   1.00979
   D82        1.06175   0.00000   0.00010   0.00001   0.00011   1.06186
   D83       -3.09912   0.00000   0.00010   0.00003   0.00012  -3.09899
   D84       -1.07605   0.00000   0.00008   0.00003   0.00011  -1.07595
   D85       -0.08756   0.00000  -0.00026  -0.00014  -0.00041  -0.08796
   D86        3.03224   0.00000  -0.00044  -0.00005  -0.00049   3.03175
   D87       -2.20824   0.00000  -0.00028  -0.00016  -0.00044  -2.20868
   D88        0.91156   0.00000  -0.00046  -0.00006  -0.00052   0.91103
   D89        2.04712   0.00000  -0.00028  -0.00015  -0.00044   2.04668
   D90       -1.11627   0.00000  -0.00046  -0.00006  -0.00052  -1.11678
   D91        3.11809   0.00000  -0.00016   0.00009  -0.00008   3.11801
   D92        0.01542   0.00000  -0.00020   0.00011  -0.00009   0.01533
   D93       -0.00449   0.00000  -0.00001   0.00000  -0.00001  -0.00450
   D94       -3.10716   0.00000  -0.00005   0.00003  -0.00002  -3.10717
   D95       -3.11843   0.00000   0.00012  -0.00005   0.00007  -3.11836
   D96       -0.00813   0.00000   0.00025  -0.00005   0.00020  -0.00792
   D97        0.00668   0.00000  -0.00002   0.00003   0.00001   0.00669
   D98        3.11699   0.00000   0.00012   0.00003   0.00014   3.11713
   D99        0.00066   0.00000   0.00003  -0.00003   0.00000   0.00066
   D100      -2.91191  -0.00001   0.00025   0.00002   0.00027  -2.91164
   D101       3.10667   0.00000   0.00006  -0.00005   0.00001   3.10668
   D102       0.19410   0.00000   0.00028   0.00000   0.00028   0.19438
   D103      -0.00662   0.00000   0.00004  -0.00005  -0.00001  -0.00663
   D104       3.09521   0.00000   0.00010  -0.00006   0.00004   3.09525
   D105      -3.11684   0.00000  -0.00010  -0.00005  -0.00014  -3.11699
   D106      -0.01502   0.00000  -0.00003  -0.00006  -0.00009  -0.01511
   D107       0.00366   0.00000  -0.00004   0.00005   0.00000   0.00366
   D108       2.91703   0.00000  -0.00032  -0.00003  -0.00035   2.91669
   D109      -3.09839   0.00000  -0.00011   0.00006  -0.00005  -3.09844
   D110      -0.18501   0.00000  -0.00039  -0.00001  -0.00040  -0.18541
   D111      -0.47377   0.00000   0.00031  -0.00004   0.00027  -0.47349
   D112      -2.05634   0.00001   0.00042   0.00001   0.00043  -2.05591
   D113       1.21729   0.00000   0.00047  -0.00007   0.00039   1.21768
   D114       2.79199   0.00000   0.00052  -0.00002   0.00051   2.79250
   D115       2.38300   0.00000  -0.00119  -0.00016  -0.00135   2.38165
   D116       2.93930   0.00000   0.00060   0.00004   0.00064   2.93994
   D117       1.35672   0.00001   0.00071   0.00009   0.00080   1.35752
   D118      -1.65283   0.00000   0.00076   0.00000   0.00076  -1.65207
   D119      -0.07813   0.00000   0.00082   0.00005   0.00087  -0.07726
   D120      -0.48712   0.00000  -0.00090  -0.00009  -0.00099  -0.48811
   D121      -1.05678   0.00000  -0.00001  -0.00003  -0.00004  -1.05682
   D122       3.10087   0.00000   0.00002  -0.00002   0.00000   3.10087
   D123       1.07673   0.00000   0.00001  -0.00003  -0.00002   1.07671
   D124       1.05171   0.00000  -0.00001  -0.00002  -0.00003   1.05168
   D125      -1.07383   0.00000   0.00002  -0.00001   0.00001  -1.07381
   D126      -3.09797   0.00000   0.00001  -0.00002  -0.00001  -3.09798
   D127      -3.13865   0.00000  -0.00004  -0.00002  -0.00006  -3.13871
   D128       1.01900   0.00000  -0.00001  -0.00001  -0.00001   1.01898
   D129      -1.00515   0.00000  -0.00001  -0.00002  -0.00003  -1.00518
   D130       0.37485   0.00000  -0.00089  -0.00048  -0.00138   0.37347
   D131      -2.75906   0.00000  -0.00088  -0.00043  -0.00130  -2.76036
   D132       2.49786   0.00000  -0.00093  -0.00049  -0.00142   2.49644
   D133      -0.63605   0.00000  -0.00091  -0.00043  -0.00134  -0.63739
   D134      -1.75111   0.00000  -0.00094  -0.00048  -0.00142  -1.75253
   D135       1.39817   0.00000  -0.00092  -0.00042  -0.00135   1.39682
   D136      -3.12746   0.00000   0.00006  -0.00001   0.00005  -3.12741
   D137       0.01169   0.00000   0.00003   0.00009   0.00011   0.01181
   D138       0.00750   0.00000   0.00005  -0.00006  -0.00001   0.00749
   D139      -3.13653   0.00000   0.00001   0.00004   0.00005  -3.13648
   D140       3.12820   0.00000  -0.00007   0.00003  -0.00004   3.12816
   D141       0.00295   0.00000   0.00007  -0.00006   0.00001   0.00296
   D142      -0.00748   0.00000  -0.00006   0.00007   0.00002  -0.00746
   D143      -3.13273   0.00000   0.00008  -0.00001   0.00006  -3.13267
   D144      -0.00480   0.00000  -0.00002   0.00003   0.00001  -0.00480
   D145       2.96067  -0.00001  -0.00027  -0.00023  -0.00050   2.96017
   D146       3.13901   0.00000   0.00001  -0.00006  -0.00005   3.13896
   D147      -0.17870  -0.00001  -0.00024  -0.00032  -0.00056  -0.17926
   D148       0.00485   0.00000   0.00004  -0.00006  -0.00001   0.00483
   D149      -3.11276   0.00000   0.00001  -0.00006  -0.00005  -3.11281
   D150       3.13007   0.00000  -0.00009   0.00003  -0.00006   3.13000
   D151       0.01246   0.00000  -0.00012   0.00002  -0.00010   0.01236
   D152      -0.00008   0.00000  -0.00001   0.00002   0.00000  -0.00007
   D153      -2.96825   0.00001   0.00024   0.00026   0.00050  -2.96775
   D154       3.11771   0.00000   0.00002   0.00002   0.00004   3.11775
   D155       0.14954   0.00001   0.00027   0.00027   0.00054   0.15008
   D156      -1.44529   0.00000   0.00048   0.00010   0.00057  -1.44472
   D157       0.26874   0.00001   0.00042   0.00012   0.00053   0.26927
   D158       2.81397   0.00000  -0.00019   0.00035   0.00016   2.81412
   D159       1.73503   0.00000   0.00015   0.00008   0.00022   1.73525
   D160      -3.10995   0.00001   0.00038   0.00010   0.00048  -3.10947
   D161       1.48876   0.00000   0.00018  -0.00020  -0.00002   1.48874
   D162      -3.08040   0.00000   0.00012  -0.00018  -0.00006  -3.08046
   D163      -0.53517   0.00000  -0.00049   0.00005  -0.00043  -0.53560
   D164      -1.61411   0.00000  -0.00015  -0.00022  -0.00037  -1.61447
   D165      -0.17590   0.00000   0.00009  -0.00020  -0.00011  -0.17601
   D166       1.73517   0.00000  -0.00085  -0.00077  -0.00162   1.73355
   D167      -0.58871   0.00000  -0.00080  -0.00049  -0.00129  -0.59000
   D168       0.01525  -0.00001  -0.00079  -0.00079  -0.00158   0.01368
   D169      -2.30863  -0.00001  -0.00073  -0.00051  -0.00124  -2.30987
   D170      -2.53727   0.00000  -0.00021  -0.00103  -0.00123  -2.53850
   D171       1.42204   0.00000  -0.00015  -0.00075  -0.00090   1.42114
   D172      -1.47175   0.00000  -0.00055  -0.00075  -0.00130  -1.47305
   D173       2.48755   0.00000  -0.00049  -0.00047  -0.00096   2.48659
   D174      -2.89884  -0.00001  -0.00080  -0.00077  -0.00157  -2.90041
   D175       1.06047  -0.00001  -0.00075  -0.00049  -0.00124   1.05923
   D176       1.00832   0.00000   0.00259   0.00008   0.00267   1.01099
   D177       3.03224   0.00000   0.00007  -0.00007   0.00000   3.03224
   D178       1.29628   0.00000  -0.00007  -0.00010  -0.00017   1.29611
   D179      -1.63738  -0.00001  -0.00022  -0.00013  -0.00035  -1.63773
   D180      -0.20714   0.00000  -0.00037  -0.00012  -0.00049  -0.20763
   D181       2.08912   0.00000   0.00074   0.00012   0.00086   2.08998
   D182      -0.76940   0.00000   0.00224   0.00024   0.00248  -0.76692
   D183      -2.64134  -0.00001   0.00065   0.00006   0.00072  -2.64062
   D184       0.41703   0.00000   0.00057   0.00014   0.00071   0.41774
   D185      -1.18120   0.00000   0.00054   0.00010   0.00063  -1.18057
   D186      -2.38819   0.00000   0.00012   0.00024   0.00035  -2.38783
   D187       0.09496   0.00000   0.00001   0.00000   0.00002   0.09497
   D188       2.11923   0.00001  -0.00012   0.00062   0.00050   2.11972
   D189      -0.33078   0.00000  -0.00022   0.00068   0.00047  -0.33031
   D190       0.90166   0.00001   0.00012   0.00025   0.00037   0.90203
   D191      -2.25891   0.00000   0.00018  -0.00012   0.00005  -2.25885
   D192       0.07793   0.00000   0.00005  -0.00023  -0.00018   0.07774
   D193      -3.09109   0.00000   0.00034  -0.00025   0.00008  -3.09101
   D194      -3.04549   0.00000  -0.00001   0.00012   0.00012  -3.04537
   D195       0.06868   0.00000   0.00028   0.00011   0.00039   0.06907
   D196      -1.14961   0.00000  -0.00035   0.00008  -0.00028  -1.14989
   D197       0.89589   0.00000  -0.00036   0.00008  -0.00027   0.89561
   D198       3.02273   0.00000  -0.00031   0.00006  -0.00025   3.02248
   D199       1.97398   0.00000  -0.00030  -0.00028  -0.00058   1.97341
   D200      -2.26370   0.00000  -0.00030  -0.00027  -0.00057  -2.26427
   D201      -0.13686   0.00000  -0.00025  -0.00030  -0.00055  -0.13741
   D202      -1.44437   0.00000  -0.00023  -0.00004  -0.00027  -1.44464
   D203       0.57632   0.00000  -0.00028  -0.00005  -0.00033   0.57599
   D204       2.65506   0.00000  -0.00027  -0.00005  -0.00032   2.65473
   D205       1.72460   0.00000  -0.00052  -0.00002  -0.00054   1.72406
   D206      -2.53789   0.00000  -0.00057  -0.00003  -0.00060  -2.53849
   D207      -0.45916   0.00000  -0.00056  -0.00003  -0.00059  -0.45974
   D208       0.69774   0.00001   0.00047   0.00037   0.00084   0.69858
   D209      -2.51185   0.00000   0.00046   0.00022   0.00068  -2.51117
   D210      -1.37120   0.00000   0.00049   0.00041   0.00090  -1.37030
   D211       1.70240   0.00000   0.00048   0.00026   0.00074   1.70314
   D212       2.85610   0.00000   0.00052   0.00036   0.00089   2.85699
   D213      -0.35348   0.00000   0.00051   0.00021   0.00072  -0.35276
   D214       1.00689   0.00000  -0.00066  -0.00028  -0.00094   1.00596
   D215      -2.06186   0.00000  -0.00065  -0.00012  -0.00077  -2.06262
   D216       0.00084   0.00000   0.00037  -0.00012   0.00025   0.00109
   D217      -2.92190   0.00000  -0.00001  -0.00012  -0.00013  -2.92202
   D218       3.07219  -0.00001   0.00036  -0.00028   0.00008   3.07228
   D219       0.14946  -0.00001  -0.00002  -0.00027  -0.00029   0.14917
   D220      -2.44969   0.00001   0.00039   0.00025   0.00065  -2.44905
   D221      -0.36209   0.00000   0.00040   0.00023   0.00063  -0.36146
   D222       1.71671   0.00000   0.00028   0.00019   0.00047   1.71718
   D223       0.90796   0.00001   0.00002   0.00026   0.00028   0.90825
   D224       2.99557   0.00000   0.00003   0.00024   0.00027   2.99584
   D225      -1.20882   0.00000  -0.00009   0.00020   0.00011  -1.20871
         Item               Value     Threshold  Converged?
 Maximum Force            0.000043     0.000450     YES
 RMS     Force            0.000006     0.000300     YES
 Maximum Displacement     0.006124     0.001800     NO 
 RMS     Displacement     0.000836     0.001200     YES
 Predicted change in Energy=-1.297194D-07
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.072443    2.537937    3.560040
      2          6           0       -3.330611    1.179428    3.653968
      3          6           0       -2.082818    1.109483    2.817715
      4          6           0       -1.697591    0.255818    1.794772
      5          7           0       -1.006968    1.998841    2.972292
      6          6           0       -0.029609    1.666684    2.066487
      7          7           0       -0.416389    0.611272    1.335109
      8          6           0       -5.230226    0.899331    0.145732
      9          6           0       -5.867163   -0.171741   -0.766745
     10          6           0       -5.240069   -1.575060   -0.578348
     11          6           0       -3.757816   -1.573907   -0.943826
     12          8           0       -3.363440   -1.077555   -2.051357
     13          8           0       -2.910237   -2.071664   -0.039208
     14          6           0       -2.266528    4.240812   -2.980841
     15          6           0       -0.993021    3.844284   -3.756780
     16          6           0       -0.192258    2.766670   -3.073954
     17          6           0       -0.320667    2.124873   -1.851602
     18          7           0        0.930971    2.169552   -3.672077
     19          6           0        1.429191    1.208712   -2.826822
     20          7           0        0.691031    1.159478   -1.709510
     21          6           0        4.685737    4.002757    1.492046
     22          6           0        5.162771    2.623150    1.995910
     23          6           0        4.193362    1.524469    1.651189
     24          6           0        3.202651    1.432436    0.683937
     25          7           0        4.135596    0.300108    2.336171
     26          6           0        3.135527   -0.470087    1.786887
     27          7           0        2.553891    0.194005    0.782496
     28         30           0        0.759054   -0.394337   -0.223109
     29          1           0       -4.986330    2.513382    4.164987
     30          1           0       -4.353806    2.758632    2.524424
     31          1           0       -3.455855    3.368222    3.931610
     32          1           0       -3.998494    0.376565    3.323940
     33          1           0       -3.090033    0.969726    4.707196
     34          1           0       -2.249703   -0.565185    1.359901
     35          1           0       -0.966541    2.763723    3.633154
     36          1           0        0.908317    2.189257    1.976453
     37          1           0       -4.160006    1.010952   -0.069786
     38          1           0       -5.341593    0.627119    1.205084
     39          1           0       -5.710970    1.875620   -0.003656
     40          1           0       -6.945970   -0.233657   -0.564709
     41          1           0       -5.745461    0.121923   -1.816614
     42          1           0       -5.353348   -1.924789    0.454219
     43          1           0       -5.754482   -2.289906   -1.236265
     44          1           0       -2.936034    3.381470   -2.857570
     45          1           0       -2.811684    5.020809   -3.523751
     46          1           0       -2.020672    4.633573   -1.986162
     47          1           0       -1.279964    3.498084   -4.761101
     48          1           0       -0.363855    4.735734   -3.902532
     49          1           0       -1.073536    2.263616   -1.094127
     50          1           0        1.294422    2.392721   -4.590041
     51          1           0        2.263590    0.562121   -3.042320
     52          1           0        4.575458    4.011494    0.400882
     53          1           0        3.721626    4.275623    1.937759
     54          1           0        5.414314    4.777153    1.756636
     55          1           0        5.302517    2.662455    3.086193
     56          1           0        6.150389    2.401882    1.565028
     57          1           0        2.914691    2.156181   -0.060343
     58          1           0        4.723522    0.034691    3.116301
     59          1           0        2.844545   -1.450776    2.125831
     60          8           0       -0.792036   -1.393542   -1.070583
     61          1           0       -1.225803   -1.055898   -1.887682
     62          1           0       -1.657937   -1.783447   -0.519196
     63          6           0        2.982987   -2.516823   -1.580618
     64          8           0        2.282848   -1.466835   -1.704124
     65          7           0        2.440917   -3.709858   -1.191176
     66          6           0        1.004080   -3.899936   -0.977465
     67          6           0        0.525599   -3.441029    0.407832
     68          8           0        0.989736   -2.370926    0.926548
     69          7           0       -0.448569   -4.178859    0.980578
     70          1           0        0.450399   -3.263897   -1.680051
     71          1           0        0.751508   -4.948805   -1.165699
     72          1           0        3.056348   -4.504647   -1.066596
     73          1           0       -0.803504   -4.982568    0.472534
     74          6           0       -1.214016   -3.749448    2.167214
     75          1           0       -1.372980   -4.604127    2.832773
     76          1           0       -0.641600   -2.981303    2.691071
     77          1           0       -2.173540   -3.329457    1.843214
     78          6           0        4.470095   -2.509423   -1.885559
     79          1           0        4.616037   -2.324824   -2.956490
     80          1           0        4.943140   -1.685577   -1.341762
     81          1           0        4.969970   -3.447683   -1.623881
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968726      0.0727422      0.0659998
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.5685127108 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122066.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000107   -0.000016   -0.000017 Ang=   0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97582029     A.U. after    7 cycles
            NFock=  7  Conv=0.90D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122066.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000005442   -0.000013202    0.000001924
      3        6           0.000014582    0.000007876   -0.000010245
      4        6          -0.000020516    0.000012519    0.000012635
      5        7          -0.000008265   -0.000008248   -0.000008065
      6        6           0.000015478    0.000003850    0.000009691
      7        7          -0.000000930   -0.000011978   -0.000011129
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000000918    0.000008639   -0.000001989
     10        6          -0.000007603    0.000001131    0.000008113
     11        6           0.000038980   -0.000027096   -0.000028952
     12        8          -0.000025366    0.000002867    0.000012563
     13        8          -0.000046221   -0.000009097   -0.000000242
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000001808   -0.000008163   -0.000002958
     16        6           0.000015178    0.000009340    0.000019491
     17        6           0.000014930   -0.000002473   -0.000005224
     18        7          -0.000019223    0.000004917   -0.000013424
     19        6           0.000014523   -0.000010844    0.000009046
     20        7          -0.000029849   -0.000010055   -0.000008708
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000002687    0.000001401    0.000001963
     23        6          -0.000006862    0.000003767   -0.000006081
     24        6           0.000011254   -0.000007468    0.000011223
     25        7           0.000005661   -0.000002401    0.000004895
     26        6          -0.000001456   -0.000001617    0.000007263
     27        7          -0.000016895   -0.000000018   -0.000001667
     28       30          -0.000000561    0.000060942   -0.000003711
     29        1           0.000001782    0.000002220    0.000001503
     30        1          -0.000002202    0.000000154    0.000003194
     31        1           0.000000004    0.000000830   -0.000002518
     32        1           0.000000998    0.000000772    0.000002556
     33        1          -0.000001424    0.000001288   -0.000000689
     34        1           0.000001144   -0.000004464   -0.000002402
     35        1           0.000000985    0.000003115    0.000001376
     36        1          -0.000005283    0.000001759    0.000001087
     37        1          -0.000003411    0.000001615   -0.000001231
     38        1          -0.000004209   -0.000000393    0.000000228
     39        1          -0.000005752    0.000002561   -0.000000071
     40        1          -0.000001448    0.000000165   -0.000004039
     41        1           0.000002784   -0.000002037   -0.000000397
     42        1          -0.000004089   -0.000003595   -0.000002168
     43        1           0.000002349    0.000002089   -0.000000591
     44        1           0.000001406   -0.000002294   -0.000001607
     45        1           0.000002661    0.000001711   -0.000000007
     46        1          -0.000001854   -0.000000519    0.000001003
     47        1           0.000002804    0.000001447    0.000003167
     48        1          -0.000003596    0.000002091   -0.000001408
     49        1          -0.000002039    0.000005030   -0.000001433
     50        1           0.000000985   -0.000001669    0.000001639
     51        1          -0.000000467    0.000003077   -0.000001559
     52        1          -0.000000724    0.000000190   -0.000000961
     53        1          -0.000003530    0.000000931   -0.000002434
     54        1          -0.000002315    0.000000815   -0.000000437
     55        1           0.000001842    0.000000215    0.000001029
     56        1          -0.000000626   -0.000000260    0.000000950
     57        1          -0.000004448   -0.000000868   -0.000005627
     58        1          -0.000001468    0.000002364   -0.000002018
     59        1          -0.000001173    0.000000702   -0.000003717
     60        8          -0.000030968   -0.000031799   -0.000003785
     61        1           0.000035665    0.000014461   -0.000002389
     62        1           0.000039219    0.000032396    0.000026979
     63        6           0.000003469   -0.000030069   -0.000008735
     64        8           0.000002615    0.000007964   -0.000007206
     65        7          -0.000012397    0.000016078    0.000010150
     66        6           0.000006766   -0.000004802    0.000006756
     67        6           0.000006375    0.000027861   -0.000023560
     68        8           0.000006249   -0.000046568    0.000014284
     69        7          -0.000020996    0.000000775   -0.000000419
     70        1           0.000000286   -0.000000394   -0.000003420
     71        1           0.000000817   -0.000000945    0.000001347
     72        1           0.000003012    0.000000540   -0.000004808
     73        1           0.000008001   -0.000001417   -0.000002374
     74        6           0.000013180   -0.000000268    0.000006855
     75        1          -0.000002090   -0.000003027   -0.000002912
     76        1          -0.000000445   -0.000002018   -0.000000592
     77        1          -0.000002565   -0.000002290    0.000001422
     78        6           0.000011223    0.000007698    0.000004016
     79        1          -0.000003507   -0.000000193    0.000002089
     80        1          -0.000002107   -0.000002887    0.000000597
     81        1           0.000000103    0.000000173    0.000001340
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000060942 RMS     0.000011105

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000037852 RMS     0.000005071
 Search for a local minimum.
 Step number  55 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50   51   52   53   54
                                                     55
 DE= -4.71D-07 DEPred=-1.30D-07 R= 3.63D+00
 Trust test= 3.63D+00 RLast= 9.70D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00064   0.00076   0.00107   0.00161   0.00209
     Eigenvalues ---    0.00230   0.00231   0.00233   0.00241   0.00252
     Eigenvalues ---    0.00308   0.00409   0.00422   0.00534   0.00563
     Eigenvalues ---    0.00640   0.00703   0.00796   0.00880   0.00886
     Eigenvalues ---    0.00929   0.01156   0.01224   0.01286   0.01386
     Eigenvalues ---    0.01420   0.01593   0.01670   0.01764   0.01790
     Eigenvalues ---    0.01828   0.01874   0.01916   0.01947   0.02037
     Eigenvalues ---    0.02152   0.02203   0.02256   0.02306   0.02319
     Eigenvalues ---    0.02348   0.02478   0.02543   0.02786   0.03043
     Eigenvalues ---    0.03383   0.03672   0.03700   0.03892   0.03981
     Eigenvalues ---    0.04064   0.04141   0.04202   0.04247   0.04415
     Eigenvalues ---    0.04595   0.04813   0.04882   0.05023   0.05240
     Eigenvalues ---    0.05308   0.05342   0.05382   0.05391   0.05402
     Eigenvalues ---    0.05430   0.05472   0.05509   0.05510   0.05547
     Eigenvalues ---    0.05549   0.05669   0.05924   0.06229   0.06913
     Eigenvalues ---    0.07244   0.07478   0.07643   0.07682   0.08224
     Eigenvalues ---    0.08306   0.08726   0.09168   0.09321   0.09463
     Eigenvalues ---    0.09494   0.09688   0.10055   0.10306   0.10554
     Eigenvalues ---    0.11061   0.12167   0.12325   0.12511   0.12673
     Eigenvalues ---    0.12910   0.13000   0.13323   0.13385   0.14401
     Eigenvalues ---    0.14515   0.15552   0.15836   0.15881   0.15927
     Eigenvalues ---    0.15966   0.15973   0.15988   0.15990   0.15995
     Eigenvalues ---    0.15998   0.16001   0.16002   0.16004   0.16006
     Eigenvalues ---    0.16007   0.16011   0.16013   0.16022   0.16026
     Eigenvalues ---    0.16038   0.16048   0.16056   0.16082   0.16124
     Eigenvalues ---    0.16177   0.16183   0.16265   0.16347   0.16460
     Eigenvalues ---    0.16565   0.17484   0.18056   0.20177   0.20517
     Eigenvalues ---    0.21096   0.21531   0.22128   0.22341   0.22386
     Eigenvalues ---    0.22727   0.22898   0.23088   0.23296   0.23679
     Eigenvalues ---    0.23850   0.24023   0.24122   0.24513   0.24904
     Eigenvalues ---    0.25120   0.25346   0.26275   0.27460   0.27690
     Eigenvalues ---    0.28223   0.28230   0.28385   0.28731   0.29973
     Eigenvalues ---    0.30420   0.30647   0.31046   0.31558   0.31733
     Eigenvalues ---    0.31970   0.33566   0.33630   0.33647   0.33662
     Eigenvalues ---    0.33674   0.33785   0.33820   0.33858   0.33870
     Eigenvalues ---    0.33918   0.33935   0.33952   0.33985   0.34003
     Eigenvalues ---    0.34011   0.34038   0.34060   0.34084   0.34089
     Eigenvalues ---    0.34134   0.34154   0.34177   0.34182   0.34207
     Eigenvalues ---    0.34249   0.34304   0.34319   0.34460   0.34652
     Eigenvalues ---    0.35290   0.35752   0.35863   0.36176   0.36234
     Eigenvalues ---    0.36342   0.36485   0.36548   0.37372   0.39097
     Eigenvalues ---    0.39293   0.39766   0.42374   0.42660   0.42927
     Eigenvalues ---    0.45280   0.45350   0.45456   0.45579   0.45583
     Eigenvalues ---    0.45630   0.45764   0.46129   0.48707   0.49164
     Eigenvalues ---    0.49427   0.49866   0.49989   0.52655   0.54460
     Eigenvalues ---    0.54929   0.55085   0.56763   0.65556   0.73452
     Eigenvalues ---    0.769081000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    55   54   53   52   51
 RFO step:  Lambda=-2.83685678D-08.
 DidBck=F Rises=F RFO-DIIS coefs:    1.50056   -0.20577   -0.63271    0.34108   -0.00318
 Iteration  1 RMS(Cart)=  0.00072356 RMS(Int)=  0.00000032
 Iteration  2 RMS(Cart)=  0.00000047 RMS(Int)=  0.00000012
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00001   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00000   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877  -0.00001   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00000   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93040   0.00000   0.00001   0.00000   0.00002   2.93042
    R2        2.07160   0.00000   0.00001   0.00000   0.00001   2.07161
    R3        2.07041   0.00000   0.00001   0.00000   0.00002   2.07043
    R4        2.07665   0.00000   0.00001   0.00000   0.00002   2.07667
    R5        2.84164   0.00000   0.00001   0.00001   0.00002   2.84166
    R6        2.06973   0.00000   0.00001   0.00001   0.00002   2.06974
    R7        2.07968   0.00000   0.00002   0.00001   0.00003   2.07971
    R8        2.62090   0.00000   0.00001   0.00000   0.00001   2.62091
    R9        2.65391   0.00000  -0.00002   0.00001  -0.00001   2.65390
   R10        2.65849   0.00000  -0.00002   0.00002   0.00000   2.65848
   R11        2.04229   0.00000  -0.00001   0.00000  -0.00001   2.04228
   R12        2.59522  -0.00001   0.00002  -0.00001   0.00001   2.59523
   R13        1.91172   0.00000   0.00000   0.00000   0.00000   1.91172
   R14        2.53421   0.00000  -0.00002   0.00000  -0.00002   2.53419
   R15        2.03608   0.00000   0.00000   0.00001   0.00000   2.03609
   R16        4.14921   0.00000  -0.00008   0.00018   0.00011   4.14932
   R17        2.91869   0.00000   0.00000   0.00001   0.00001   2.91870
   R18        2.07378   0.00000  -0.00001   0.00000   0.00000   2.07378
   R19        2.07761   0.00000   0.00000   0.00000   0.00000   2.07761
   R20        2.07575  -0.00001   0.00000   0.00000  -0.00001   2.07575
   R21        2.92636  -0.00001   0.00000  -0.00002  -0.00002   2.92634
   R22        2.07739   0.00000   0.00000   0.00000   0.00000   2.07739
   R23        2.07291   0.00000  -0.00001   0.00000   0.00000   2.07291
   R24        2.88494  -0.00001   0.00000   0.00000   0.00000   2.88494
   R25        2.07124   0.00000   0.00000   0.00000   0.00000   2.07124
   R26        2.07739   0.00000   0.00000   0.00001   0.00001   2.07740
   R27        2.41155  -0.00001  -0.00003   0.00004   0.00001   2.41156
   R28        2.52438   0.00003   0.00005  -0.00002   0.00002   2.52441
   R29        4.05158  -0.00002   0.00038  -0.00184  -0.00145   4.05013
   R30        2.59224  -0.00004  -0.00058   0.00048  -0.00010   2.59215
   R31        2.91602   0.00000   0.00000   0.00000   0.00000   2.91602
   R32        2.07173   0.00000   0.00000   0.00000   0.00000   2.07173
   R33        2.07038   0.00000   0.00000   0.00000   0.00000   2.07039
   R34        2.07362   0.00000   0.00001   0.00000   0.00001   2.07362
   R35        2.84636   0.00000   0.00000   0.00000   0.00000   2.84636
   R36        2.07943   0.00000   0.00000   0.00000   0.00000   2.07943
   R37        2.08022   0.00000   0.00001   0.00000   0.00000   2.08023
   R38        2.62021  -0.00001   0.00000  -0.00001  -0.00001   2.62020
   R39        2.65636   0.00002   0.00000   0.00002   0.00002   2.65637
   R40        2.65620   0.00001   0.00001   0.00001   0.00002   2.65622
   R41        2.03515   0.00000   0.00000   0.00000   0.00000   2.03515
   R42        2.59512  -0.00001   0.00001  -0.00001   0.00001   2.59512
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53230  -0.00001  -0.00001  -0.00001  -0.00002   2.53228
   R45        2.03595   0.00000   0.00000   0.00000   0.00000   2.03595
   R46        4.06548   0.00001   0.00026  -0.00004   0.00022   4.06571
   R47        2.91824   0.00000  -0.00002   0.00000  -0.00002   2.91822
   R48        2.07257   0.00000   0.00000   0.00000   0.00000   2.07257
   R49        2.07235   0.00000   0.00000   0.00000   0.00000   2.07235
   R50        2.07054   0.00000   0.00000   0.00000   0.00000   2.07054
   R51        2.84445   0.00000   0.00000   0.00000   0.00000   2.84445
   R52        2.07852   0.00000   0.00001   0.00000   0.00001   2.07853
   R53        2.07871   0.00000   0.00000   0.00000   0.00000   2.07871
   R54        2.62227   0.00000   0.00000   0.00000   0.00000   2.62227
   R55        2.65343   0.00000   0.00002   0.00000   0.00002   2.65345
   R56        2.64853   0.00000   0.00001   0.00000   0.00001   2.64854
   R57        2.03589   0.00000   0.00000   0.00000   0.00000   2.03589
   R58        2.60141   0.00000   0.00000   0.00000   0.00000   2.60141
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52695   0.00000  -0.00001   0.00000  -0.00001   2.52695
   R61        2.03644   0.00000   0.00000   0.00000   0.00000   2.03644
   R62        4.04367   0.00001   0.00012   0.00005   0.00016   4.04384
   R63        3.83689  -0.00001  -0.00008  -0.00002  -0.00010   3.83679
   R64        4.49803   0.00000   0.00035  -0.00015   0.00020   4.49822
   R65        4.34301  -0.00003  -0.00069  -0.00031  -0.00100   4.34201
   R66        1.86098   0.00001  -0.00002   0.00006   0.00004   1.86102
   R67        2.07512   0.00002   0.00030  -0.00023   0.00007   2.07519
   R68        2.39625  -0.00001   0.00000   0.00000  -0.00001   2.39624
   R69        2.58336   0.00002   0.00004   0.00001   0.00005   2.58341
   R70        2.86874  -0.00001  -0.00003  -0.00001  -0.00003   2.86870
   R71        2.76850   0.00000  -0.00001   0.00003   0.00002   2.76851
   R72        1.91410   0.00000   0.00000   0.00000   0.00000   1.91410
   R73        2.90218  -0.00001   0.00000  -0.00001  -0.00001   2.90217
   R74        2.07417   0.00000   0.00000   0.00000   0.00000   2.07417
   R75        2.06953   0.00000   0.00000   0.00000   0.00000   2.06953
   R76        2.41235   0.00002   0.00000   0.00001   0.00002   2.41237
   R77        2.55038  -0.00001   0.00000  -0.00001  -0.00001   2.55037
   R78        1.91790   0.00000   0.00000   0.00000   0.00000   1.91790
   R79        2.78913   0.00001   0.00001   0.00001   0.00002   2.78915
   R80        2.06898   0.00000   0.00000   0.00000  -0.00001   2.06898
   R81        2.06329   0.00000   0.00001   0.00000   0.00000   2.06330
   R82        2.07186   0.00000  -0.00001   0.00000  -0.00001   2.07186
   R83        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
   R84        2.06855   0.00000   0.00000   0.00000   0.00000   2.06855
   R85        2.06895   0.00000   0.00000   0.00000   0.00000   2.06896
    A1        1.92384   0.00000  -0.00002  -0.00001  -0.00003   1.92382
    A2        1.93540   0.00000   0.00001   0.00001   0.00002   1.93542
    A3        1.95305   0.00000   0.00000   0.00000   0.00001   1.95306
    A4        1.88813   0.00000   0.00000   0.00000   0.00000   1.88813
    A5        1.87348   0.00000   0.00000   0.00000   0.00000   1.87348
    A6        1.88757   0.00000   0.00000   0.00000   0.00000   1.88757
    A7        1.98671   0.00001   0.00003   0.00002   0.00005   1.98676
    A8        1.90945   0.00000  -0.00001   0.00000   0.00000   1.90945
    A9        1.90655   0.00000   0.00001   0.00000   0.00000   1.90655
   A10        1.88004   0.00000   0.00000   0.00001   0.00002   1.88006
   A11        1.91980   0.00000  -0.00003  -0.00002  -0.00005   1.91974
   A12        1.85668   0.00000   0.00000  -0.00001  -0.00002   1.85666
   A13        2.30404   0.00002   0.00002   0.00005   0.00006   2.30411
   A14        2.14720  -0.00001  -0.00002  -0.00002  -0.00004   2.14716
   A15        1.83194  -0.00001   0.00001  -0.00003  -0.00002   1.83192
   A16        1.91604   0.00000  -0.00001   0.00002   0.00001   1.91605
   A17        2.24269   0.00000   0.00000   0.00000  -0.00001   2.24269
   A18        2.12436   0.00000   0.00001  -0.00001  -0.00001   2.12435
   A19        1.89592   0.00000  -0.00001   0.00002   0.00001   1.89593
   A20        2.19115   0.00000  -0.00001  -0.00002  -0.00003   2.19112
   A21        2.19604   0.00000   0.00002   0.00000   0.00001   2.19605
   A22        1.92283   0.00000   0.00000  -0.00001  -0.00001   1.92282
   A23        2.16195   0.00000   0.00000   0.00001   0.00002   2.16197
   A24        2.19839   0.00000   0.00000  -0.00001  -0.00001   2.19839
   A25        1.85805   0.00000   0.00001  -0.00001   0.00000   1.85805
   A26        2.21894  -0.00001  -0.00029   0.00001  -0.00028   2.21866
   A27        2.20568   0.00001   0.00028   0.00000   0.00028   2.20596
   A28        1.93551   0.00000  -0.00001  -0.00002  -0.00003   1.93549
   A29        1.93455   0.00000   0.00000   0.00001   0.00000   1.93455
   A30        1.93427   0.00000  -0.00001   0.00002   0.00001   1.93428
   A31        1.88936   0.00000   0.00001   0.00000   0.00001   1.88937
   A32        1.88568   0.00000   0.00000   0.00000   0.00000   1.88568
   A33        1.88260   0.00000   0.00000   0.00000   0.00000   1.88260
   A34        1.97095  -0.00001  -0.00003  -0.00002  -0.00005   1.97090
   A35        1.91259   0.00001  -0.00001   0.00003   0.00001   1.91261
   A36        1.91138   0.00000   0.00000  -0.00001  -0.00001   1.91136
   A37        1.90075   0.00000   0.00002   0.00000   0.00002   1.90077
   A38        1.89032   0.00001   0.00002   0.00000   0.00002   1.89034
   A39        1.87534   0.00000   0.00002  -0.00001   0.00001   1.87535
   A40        1.94268   0.00001  -0.00001   0.00001   0.00000   1.94268
   A41        1.94112   0.00000   0.00000   0.00001   0.00000   1.94112
   A42        1.90389   0.00000   0.00004   0.00001   0.00005   1.90394
   A43        1.90299  -0.00001   0.00000  -0.00004  -0.00004   1.90295
   A44        1.88762   0.00000  -0.00001   0.00002   0.00001   1.88763
   A45        1.88385   0.00000  -0.00001  -0.00001  -0.00003   1.88383
   A46        2.10379   0.00002   0.00004  -0.00001   0.00003   2.10382
   A47        2.04164  -0.00002  -0.00006   0.00001  -0.00005   2.04159
   A48        2.13716  -0.00001   0.00001   0.00001   0.00002   2.13717
   A49        1.81914   0.00000  -0.00018   0.00012  -0.00006   1.81908
   A50        1.83796   0.00000   0.00019  -0.00012   0.00007   1.83803
   A51        1.93811   0.00000   0.00002   0.00000   0.00001   1.93813
   A52        1.92242   0.00000   0.00000   0.00000   0.00000   1.92242
   A53        1.94215   0.00000  -0.00002   0.00000  -0.00002   1.94214
   A54        1.88588   0.00000   0.00000  -0.00001  -0.00001   1.88588
   A55        1.89174   0.00000   0.00000   0.00000   0.00000   1.89175
   A56        1.88163   0.00000   0.00000   0.00001   0.00001   1.88164
   A57        1.97648   0.00000   0.00001  -0.00001   0.00001   1.97648
   A58        1.90137   0.00000   0.00001  -0.00001   0.00000   1.90137
   A59        1.90729   0.00000  -0.00003   0.00002  -0.00001   1.90728
   A60        1.90424   0.00000  -0.00001   0.00001   0.00000   1.90424
   A61        1.91297   0.00000   0.00000  -0.00001  -0.00002   1.91296
   A62        1.85769   0.00000   0.00001   0.00000   0.00001   1.85771
   A63        2.32070   0.00001   0.00003   0.00000   0.00003   2.32073
   A64        2.13628  -0.00001  -0.00002  -0.00001  -0.00003   2.13625
   A65        1.82605   0.00000   0.00000   0.00000   0.00000   1.82605
   A66        1.91811   0.00000   0.00001   0.00000   0.00000   1.91811
   A67        2.24614   0.00000  -0.00004   0.00002  -0.00002   2.24612
   A68        2.11829   0.00000   0.00003  -0.00002   0.00001   2.11830
   A69        1.90203   0.00000   0.00000  -0.00001  -0.00001   1.90202
   A70        2.18848   0.00000   0.00001   0.00000   0.00001   2.18849
   A71        2.19221   0.00000   0.00000   0.00001   0.00001   2.19222
   A72        1.91672   0.00000   0.00001   0.00001   0.00002   1.91673
   A73        2.18679   0.00000  -0.00001  -0.00001  -0.00002   2.18677
   A74        2.17894   0.00000   0.00000   0.00000   0.00000   2.17894
   A75        1.86185   0.00000  -0.00001   0.00000  -0.00001   1.86184
   A76        2.20019  -0.00001  -0.00023  -0.00006  -0.00029   2.19990
   A77        2.19592   0.00001   0.00018   0.00007   0.00025   2.19617
   A78        1.94206   0.00000   0.00000  -0.00001   0.00000   1.94206
   A79        1.94041   0.00000   0.00000   0.00000   0.00001   1.94041
   A80        1.92539   0.00000   0.00000   0.00000   0.00000   1.92539
   A81        1.89018   0.00000   0.00000   0.00000   0.00000   1.89018
   A82        1.87704   0.00000   0.00000   0.00000   0.00000   1.87705
   A83        1.88661   0.00000  -0.00001   0.00000  -0.00001   1.88660
   A84        1.95888   0.00000   0.00001   0.00000   0.00000   1.95888
   A85        1.90789   0.00000  -0.00001   0.00000  -0.00001   1.90788
   A86        1.90630   0.00000   0.00001   0.00000   0.00001   1.90631
   A87        1.91232   0.00000  -0.00002   0.00000  -0.00002   1.91230
   A88        1.91952   0.00000   0.00000   0.00001   0.00001   1.91953
   A89        1.85605   0.00000   0.00000   0.00000   0.00000   1.85605
   A90        2.30212   0.00000   0.00003  -0.00002   0.00002   2.30214
   A91        2.15464   0.00000  -0.00003   0.00001  -0.00002   2.15462
   A92        1.82641   0.00000   0.00000   0.00000   0.00000   1.82641
   A93        1.91779   0.00000   0.00000   0.00000   0.00000   1.91779
   A94        2.24955   0.00000   0.00000   0.00000   0.00000   2.24955
   A95        2.11585   0.00000   0.00000   0.00000   0.00000   2.11584
   A96        1.89979   0.00000  -0.00001   0.00000  -0.00001   1.89978
   A97        2.19037   0.00000   0.00000   0.00001   0.00001   2.19038
   A98        2.19289   0.00000   0.00001  -0.00001   0.00001   2.19290
   A99        1.91541   0.00000   0.00001   0.00000   0.00002   1.91543
   A100       2.18930   0.00000  -0.00003   0.00000  -0.00003   2.18927
   A101       2.17821   0.00000   0.00001   0.00000   0.00001   2.17822
   A102       1.86535   0.00000  -0.00001   0.00000  -0.00001   1.86534
   A103       2.21201   0.00000  -0.00004  -0.00002  -0.00005   2.21195
   A104       2.19109   0.00000  -0.00003  -0.00001  -0.00005   2.19105
   A105       1.71390   0.00000   0.00001  -0.00002  -0.00002   1.71388
   A106       1.56040   0.00000  -0.00003  -0.00004  -0.00007   1.56032
   A107       1.68367   0.00000   0.00019  -0.00012   0.00007   1.68375
   A108       3.00475   0.00000  -0.00002   0.00004   0.00002   3.00477
   A109       1.66356  -0.00001   0.00011  -0.00001   0.00010   1.66366
   A110       1.72403   0.00000  -0.00002   0.00003   0.00001   1.72404
   A111       1.61371   0.00000  -0.00018   0.00003  -0.00016   1.61355
   A112       1.48648   0.00000  -0.00024   0.00001  -0.00023   1.48625
   A113       2.89587   0.00001  -0.00015   0.00002  -0.00012   2.89575
   A114       2.90540   0.00001   0.00009   0.00004   0.00013   2.90553
   A115       1.44982   0.00000  -0.00007   0.00009   0.00001   1.44984
   A116       1.48789   0.00000   0.00016   0.00000   0.00016   1.48806
   A117       1.57841   0.00000  -0.00003   0.00008   0.00004   1.57845
   A118       1.43258   0.00000  -0.00001  -0.00002  -0.00002   1.43256
   A119       1.42980   0.00001   0.00016   0.00002   0.00018   1.42998
   A120       2.11073   0.00001   0.00013   0.00016   0.00029   2.11102
   A121       2.17432   0.00000  -0.00002  -0.00003  -0.00005   2.17428
   A122       1.76301  -0.00001  -0.00009  -0.00018  -0.00028   1.76274
   A123       2.09328   0.00001   0.00009   0.00060   0.00068   2.09397
   A124       2.89674   0.00000  -0.00001  -0.00041  -0.00042   2.89632
   A125       2.13110   0.00000  -0.00006   0.00000  -0.00006   2.13104
   A126       2.11447   0.00001   0.00005   0.00001   0.00006   2.11452
   A127       2.03747  -0.00001   0.00001  -0.00001   0.00000   2.03747
   A128       2.29959  -0.00001  -0.00028   0.00001  -0.00027   2.29932
   A129       2.14561  -0.00001  -0.00006   0.00000  -0.00006   2.14555
   A130       2.07019   0.00000   0.00004   0.00000   0.00004   2.07023
   A131       2.06707   0.00000   0.00003   0.00000   0.00003   2.06710
   A132       1.98054   0.00000  -0.00003   0.00000  -0.00003   1.98052
   A133       1.90305   0.00000  -0.00001   0.00001   0.00000   1.90305
   A134       1.90221   0.00000   0.00001   0.00001   0.00003   1.90223
   A135       1.82045   0.00000   0.00000   0.00000   0.00000   1.82046
   A136       1.94913   0.00000   0.00001  -0.00001  -0.00001   1.94912
   A137       1.90565   0.00000   0.00001  -0.00001   0.00000   1.90565
   A138       2.09871   0.00000  -0.00001  -0.00002  -0.00002   2.09869
   A139       2.03122   0.00001   0.00003   0.00004   0.00007   2.03129
   A140       2.15110  -0.00002  -0.00003  -0.00001  -0.00005   2.15106
   A141       2.07281  -0.00001   0.00022   0.00004   0.00026   2.07307
   A142       2.06341   0.00001   0.00000   0.00000   0.00000   2.06342
   A143       2.16094  -0.00001  -0.00001  -0.00001  -0.00002   2.16092
   A144       2.03923   0.00000   0.00003  -0.00003   0.00001   2.03923
   A145       1.91444   0.00000   0.00002   0.00001   0.00003   1.91447
   A146       1.89498   0.00000  -0.00002  -0.00001  -0.00003   1.89495
   A147       1.90470   0.00000   0.00000  -0.00001  -0.00001   1.90469
   A148       1.91097   0.00000  -0.00002   0.00001  -0.00001   1.91097
   A149       1.93009   0.00000   0.00009   0.00000   0.00009   1.93018
   A150       1.90827   0.00000  -0.00007   0.00000  -0.00007   1.90820
   A151       1.90435   0.00001   0.00002   0.00001   0.00002   1.90437
   A152       1.90415   0.00000  -0.00001   0.00001   0.00000   1.90415
   A153       1.97694   0.00000  -0.00001  -0.00001  -0.00001   1.97693
   A154       1.87652   0.00000   0.00000   0.00000   0.00000   1.87652
   A155       1.89331   0.00000  -0.00002   0.00000  -0.00002   1.89329
   A156       1.90598   0.00000   0.00002  -0.00001   0.00001   1.90599
    D1        3.11048   0.00000   0.00005   0.00003   0.00007   3.11055
    D2        1.00646   0.00000   0.00003  -0.00001   0.00002   1.00648
    D3       -1.01947   0.00000   0.00003   0.00001   0.00004  -1.01943
    D4        1.02002   0.00000   0.00005   0.00003   0.00008   1.02010
    D5       -1.08400   0.00000   0.00003   0.00000   0.00003  -1.08397
    D6       -3.10992   0.00000   0.00003   0.00001   0.00004  -3.10988
    D7       -1.08921   0.00000   0.00004   0.00002   0.00006  -1.08916
    D8        3.08995   0.00000   0.00002  -0.00001   0.00001   3.08996
    D9        1.06403   0.00000   0.00002   0.00000   0.00002   1.06405
   D10       -2.12384   0.00000  -0.00034  -0.00008  -0.00042  -2.12426
   D11        1.01931   0.00000  -0.00012  -0.00006  -0.00018   1.01913
   D12       -0.00340   0.00000  -0.00033  -0.00005  -0.00038  -0.00378
   D13        3.13975   0.00000  -0.00011  -0.00004  -0.00014   3.13961
   D14        2.01333   0.00000  -0.00035  -0.00007  -0.00042   2.01291
   D15       -1.12670   0.00000  -0.00013  -0.00005  -0.00018  -1.12688
   D16       -3.13842   0.00000   0.00013   0.00003   0.00016  -3.13826
   D17        0.01731   0.00000   0.00021   0.00007   0.00028   0.01759
   D18        0.00182   0.00000  -0.00006   0.00002  -0.00004   0.00178
   D19       -3.12564   0.00000   0.00002   0.00006   0.00007  -3.12557
   D20        3.13905   0.00000  -0.00013  -0.00004  -0.00017   3.13888
   D21       -0.01574   0.00000  -0.00010  -0.00003  -0.00013  -0.01587
   D22       -0.00134   0.00000   0.00004  -0.00003   0.00001  -0.00133
   D23        3.12705   0.00000   0.00007  -0.00001   0.00006   3.12711
   D24       -0.00163   0.00000   0.00006   0.00000   0.00006  -0.00157
   D25        3.10708   0.00000  -0.00003   0.00007   0.00004   3.10712
   D26        3.12696   0.00000  -0.00001  -0.00004  -0.00005   3.12691
   D27       -0.04752   0.00000  -0.00010   0.00003  -0.00006  -0.04758
   D28        0.00037   0.00000  -0.00001   0.00003   0.00003   0.00040
   D29       -3.13622   0.00000  -0.00002   0.00004   0.00002  -3.13619
   D30       -3.12798   0.00000  -0.00004   0.00002  -0.00002  -3.12800
   D31        0.01862   0.00000  -0.00005   0.00003  -0.00002   0.01860
   D32        0.00076   0.00000  -0.00003  -0.00002  -0.00005   0.00070
   D33       -3.10828   0.00000   0.00007  -0.00009  -0.00002  -3.10830
   D34        3.13722   0.00000  -0.00002  -0.00003  -0.00005   3.13717
   D35        0.02818   0.00000   0.00008  -0.00010  -0.00002   0.02816
   D36        1.95171   0.00000   0.00010   0.00010   0.00021   1.95191
   D37       -2.60736   0.00000   0.00008   0.00013   0.00021  -2.60715
   D38        0.32092   0.00000   0.00026   0.00010   0.00036   0.32128
   D39       -2.32437   0.00000  -0.00191   0.00018  -0.00172  -2.32609
   D40       -1.12080   0.00000   0.00024   0.00013   0.00036  -1.12044
   D41       -1.22906   0.00000  -0.00001   0.00019   0.00018  -1.22888
   D42        0.49506   0.00000  -0.00003   0.00021   0.00018   0.49524
   D43       -2.85984   0.00000   0.00015   0.00018   0.00033  -2.85951
   D44        0.77806   0.00000  -0.00201   0.00027  -0.00175   0.77631
   D45        1.98162   0.00000   0.00013   0.00021   0.00034   1.98196
   D46        1.06377   0.00000   0.00005  -0.00003   0.00001   1.06378
   D47       -3.09724   0.00000   0.00004  -0.00002   0.00002  -3.09722
   D48       -1.04423   0.00000   0.00005  -0.00002   0.00003  -1.04421
   D49       -1.03534   0.00000   0.00003  -0.00002   0.00001  -1.03533
   D50        1.08684   0.00000   0.00002  -0.00001   0.00002   1.08685
   D51        3.13984   0.00000   0.00004  -0.00001   0.00003   3.13987
   D52       -3.12512   0.00000   0.00003  -0.00003   0.00000  -3.12512
   D53       -1.00295   0.00000   0.00003  -0.00002   0.00000  -1.00294
   D54        1.05006   0.00000   0.00004  -0.00002   0.00001   1.05007
   D55       -1.08447   0.00000   0.00004   0.00018   0.00022  -1.08425
   D56        1.04130   0.00000   0.00003   0.00014   0.00017   1.04147
   D57        3.11720   0.00000   0.00003   0.00013   0.00017   3.11737
   D58        3.06987   0.00000   0.00006   0.00015   0.00022   3.07008
   D59       -1.08755   0.00000   0.00005   0.00012   0.00017  -1.08738
   D60        0.98836   0.00000   0.00006   0.00011   0.00017   0.98852
   D61        1.03548   0.00000   0.00003   0.00016   0.00018   1.03567
   D62       -3.12193   0.00000   0.00001   0.00012   0.00013  -3.12180
   D63       -1.04603   0.00000   0.00002   0.00011   0.00014  -1.04589
   D64       -0.86980   0.00000   0.00023   0.00021   0.00044  -0.86936
   D65        2.23553   0.00000   0.00011   0.00041   0.00052   2.23605
   D66       -3.01756   0.00000   0.00024   0.00022   0.00047  -3.01710
   D67        0.08777   0.00000   0.00012   0.00042   0.00054   0.08831
   D68        1.22139   0.00000   0.00027   0.00025   0.00051   1.22190
   D69       -1.95646   0.00000   0.00014   0.00044   0.00058  -1.95588
   D70        2.98675   0.00000   0.00009   0.00015   0.00024   2.98698
   D71       -0.11655   0.00000   0.00022  -0.00006   0.00016  -0.11639
   D72       -2.99651   0.00000   0.00000  -0.00016  -0.00016  -2.99667
   D73        0.10807   0.00000  -0.00013   0.00004  -0.00008   0.10799
   D74        0.00302   0.00000  -0.00028   0.00003  -0.00025   0.00276
   D75        0.22081   0.00000  -0.00005  -0.00051  -0.00057   0.22025
   D76       -1.04712   0.00000   0.00004  -0.00003   0.00001  -1.04711
   D77        1.07521   0.00000   0.00005  -0.00003   0.00002   1.07523
   D78        3.09825   0.00000   0.00006  -0.00002   0.00003   3.09828
   D79       -3.13558   0.00000   0.00003  -0.00002   0.00001  -3.13557
   D80       -1.01325   0.00000   0.00004  -0.00002   0.00002  -1.01323
   D81        1.00979   0.00000   0.00004  -0.00001   0.00003   1.00982
   D82        1.06186   0.00000   0.00004  -0.00003   0.00001   1.06187
   D83       -3.09899   0.00000   0.00005  -0.00003   0.00002  -3.09897
   D84       -1.07595   0.00000   0.00005  -0.00002   0.00003  -1.07591
   D85       -0.08796   0.00000   0.00014   0.00024   0.00038  -0.08758
   D86        3.03175   0.00000   0.00011   0.00026   0.00038   3.03213
   D87       -2.20868   0.00000   0.00012   0.00025   0.00037  -2.20831
   D88        0.91103   0.00000   0.00009   0.00027   0.00037   0.91140
   D89        2.04668   0.00000   0.00011   0.00025   0.00036   2.04705
   D90       -1.11678   0.00000   0.00009   0.00027   0.00036  -1.11643
   D91        3.11801   0.00000  -0.00002   0.00003   0.00001   3.11802
   D92        0.01533   0.00000  -0.00003   0.00006   0.00003   0.01536
   D93       -0.00450   0.00000   0.00000   0.00001   0.00002  -0.00448
   D94       -3.10717   0.00000  -0.00001   0.00004   0.00003  -3.10714
   D95       -3.11836   0.00000   0.00003  -0.00005  -0.00001  -3.11837
   D96       -0.00792   0.00000   0.00017  -0.00004   0.00013  -0.00779
   D97        0.00669   0.00000   0.00002  -0.00003  -0.00002   0.00667
   D98        3.11713   0.00000   0.00015  -0.00003   0.00013   3.11725
   D99        0.00066   0.00000  -0.00002   0.00001  -0.00001   0.00065
   D100      -2.91164   0.00000   0.00022  -0.00004   0.00019  -2.91146
   D101       3.10668   0.00000  -0.00001  -0.00002  -0.00002   3.10666
   D102       0.19438   0.00000   0.00023  -0.00006   0.00017   0.19455
   D103      -0.00663   0.00000  -0.00003   0.00004   0.00001  -0.00662
   D104       3.09525   0.00000  -0.00001  -0.00004  -0.00006   3.09519
   D105      -3.11699   0.00000  -0.00017   0.00004  -0.00013  -3.11712
   D106      -0.01511   0.00000  -0.00015  -0.00005  -0.00020  -0.01531
   D107       0.00366   0.00000   0.00003  -0.00003   0.00000   0.00366
   D108       2.91669   0.00000  -0.00028  -0.00001  -0.00029   2.91640
   D109      -3.09844   0.00000   0.00001   0.00005   0.00007  -3.09837
   D110      -0.18541   0.00000  -0.00030   0.00008  -0.00022  -0.18563
   D111      -0.47349   0.00000  -0.00013  -0.00027  -0.00040  -0.47390
   D112      -2.05591   0.00000  -0.00010  -0.00023  -0.00033  -2.05624
   D113       1.21768   0.00000   0.00004  -0.00039  -0.00035   1.21733
   D114       2.79250   0.00000   0.00001  -0.00031  -0.00031   2.79219
   D115       2.38165   0.00000  -0.00054  -0.00040  -0.00093   2.38072
   D116       2.93994   0.00000   0.00020  -0.00031  -0.00012   2.93982
   D117       1.35752   0.00000   0.00023  -0.00027  -0.00004   1.35748
   D118      -1.65207   0.00000   0.00037  -0.00043  -0.00007  -1.65214
   D119      -0.07726   0.00000   0.00034  -0.00035  -0.00002  -0.07728
   D120      -0.48811   0.00000  -0.00021  -0.00044  -0.00064  -0.48875
   D121      -1.05682   0.00000  -0.00003  -0.00004  -0.00007  -1.05689
   D122       3.10087   0.00000  -0.00001  -0.00003  -0.00004   3.10083
   D123       1.07671   0.00000  -0.00001  -0.00003  -0.00004   1.07667
   D124       1.05168   0.00000  -0.00003  -0.00004  -0.00006   1.05162
   D125      -1.07381   0.00000   0.00000  -0.00003  -0.00004  -1.07385
   D126      -3.09798   0.00000  -0.00001  -0.00003  -0.00004  -3.09801
   D127      -3.13871   0.00000  -0.00004  -0.00003  -0.00007  -3.13878
   D128       1.01898   0.00000  -0.00001  -0.00003  -0.00004   1.01894
   D129      -1.00518   0.00000  -0.00002  -0.00003  -0.00004  -1.00522
   D130       0.37347   0.00000  -0.00085  -0.00049  -0.00134   0.37212
   D131      -2.76036   0.00000  -0.00080  -0.00042  -0.00122  -2.76158
   D132       2.49644   0.00000  -0.00087  -0.00050  -0.00137   2.49507
   D133      -0.63739   0.00000  -0.00082  -0.00042  -0.00124  -0.63864
   D134      -1.75253   0.00000  -0.00088  -0.00049  -0.00137  -1.75390
   D135       1.39682   0.00000  -0.00083  -0.00042  -0.00124   1.39558
   D136      -3.12741   0.00000   0.00004   0.00006   0.00010  -3.12731
   D137       0.01181   0.00000   0.00011   0.00006   0.00017   0.01198
   D138       0.00749   0.00000   0.00000  -0.00001  -0.00001   0.00748
   D139      -3.13648   0.00000   0.00007  -0.00001   0.00007  -3.13641
   D140       3.12816   0.00000  -0.00005  -0.00004  -0.00009   3.12807
   D141       0.00296   0.00000  -0.00002  -0.00010  -0.00012   0.00284
   D142      -0.00746   0.00000  -0.00001   0.00002   0.00001  -0.00746
   D143      -3.13267   0.00000   0.00002  -0.00004  -0.00002  -3.13269
   D144      -0.00480   0.00000   0.00002  -0.00001   0.00001  -0.00479
   D145       2.96017  -0.00001  -0.00044  -0.00021  -0.00064   2.95953
   D146       3.13896   0.00000  -0.00005  -0.00001  -0.00006   3.13890
   D147      -0.17926  -0.00001  -0.00050  -0.00020  -0.00071  -0.17997
   D148       0.00483   0.00000   0.00002  -0.00002   0.00000   0.00483
   D149      -3.11281   0.00000  -0.00004   0.00000  -0.00004  -3.11285
   D150       3.13000   0.00000  -0.00001   0.00003   0.00003   3.13003
   D151       0.01236   0.00000  -0.00008   0.00006  -0.00002   0.01235
   D152      -0.00007   0.00000  -0.00002   0.00002   0.00000  -0.00008
   D153      -2.96775   0.00001   0.00042   0.00021   0.00064  -2.96711
   D154       3.11775   0.00000   0.00004   0.00000   0.00004   3.11779
   D155       0.15008   0.00000   0.00049   0.00019   0.00068   0.15076
   D156      -1.44472   0.00000   0.00050   0.00006   0.00056  -1.44416
   D157       0.26927   0.00000   0.00050   0.00003   0.00053   0.26980
   D158       2.81412   0.00000  -0.00046   0.00074   0.00027   2.81440
   D159       1.73525   0.00000   0.00024   0.00005   0.00030   1.73555
   D160      -3.10947   0.00001   0.00039   0.00006   0.00045  -3.10902
   D161       1.48874   0.00000  -0.00003  -0.00017  -0.00020   1.48853
   D162      -3.08046   0.00000  -0.00003  -0.00020  -0.00023  -3.08069
   D163      -0.53560   0.00000  -0.00100   0.00051  -0.00049  -0.53609
   D164      -1.61447   0.00000  -0.00029  -0.00018  -0.00046  -1.61494
   D165      -0.17601   0.00000  -0.00014  -0.00017  -0.00031  -0.17632
   D166       1.73355   0.00000  -0.00031  -0.00068  -0.00099   1.73255
   D167      -0.59000   0.00000  -0.00031  -0.00053  -0.00084  -0.59083
   D168       0.01368   0.00000  -0.00031  -0.00065  -0.00096   0.01271
   D169      -2.30987   0.00000  -0.00030  -0.00050  -0.00081  -2.31067
   D170      -2.53850   0.00000   0.00064  -0.00136  -0.00072  -2.53922
   D171       1.42114   0.00000   0.00064  -0.00120  -0.00056   1.42058
   D172      -1.47305   0.00000  -0.00006  -0.00067  -0.00074  -1.47378
   D173       2.48659   0.00000  -0.00006  -0.00052  -0.00058   2.48601
   D174      -2.90041  -0.00001  -0.00023  -0.00068  -0.00091  -2.90132
   D175       1.05923  -0.00001  -0.00022  -0.00053  -0.00075   1.05848
   D176       1.01099   0.00000   0.00180  -0.00010   0.00169   1.01269
   D177       3.03224   0.00000  -0.00018  -0.00003  -0.00021   3.03203
   D178       1.29611   0.00000  -0.00020  -0.00005  -0.00025   1.29586
   D179      -1.63773   0.00000  -0.00036  -0.00001  -0.00037  -1.63810
   D180      -0.20763   0.00000  -0.00036  -0.00004  -0.00040  -0.20803
   D181       2.08998   0.00000   0.00043  -0.00007   0.00036   2.09034
   D182      -0.76692   0.00000   0.00084   0.00005   0.00089  -0.76603
   D183      -2.64062   0.00000   0.00041  -0.00012   0.00029  -2.64033
   D184       0.41774   0.00000   0.00025   0.00005   0.00030   0.41803
   D185      -1.18057   0.00000   0.00030  -0.00003   0.00027  -1.18029
   D186      -2.38783   0.00000   0.00016   0.00010   0.00026  -2.38757
   D187       0.09497   0.00000   0.00015   0.00001   0.00016   0.09513
   D188       2.11972   0.00001   0.00007   0.00053   0.00059   2.12032
   D189      -0.33031   0.00000  -0.00001   0.00053   0.00053  -0.32979
   D190       0.90203   0.00000   0.00032  -0.00003   0.00029   0.90232
   D191      -2.25885   0.00001   0.00035   0.00012   0.00047  -2.25838
   D192       0.07774   0.00000  -0.00013   0.00009  -0.00004   0.07771
   D193      -3.09101   0.00000   0.00008   0.00001   0.00008  -3.09092
   D194      -3.04537   0.00000  -0.00015  -0.00006  -0.00021  -3.04558
   D195       0.06907  -0.00001   0.00005  -0.00014  -0.00009   0.06898
   D196      -1.14989   0.00000  -0.00030  -0.00015  -0.00046  -1.15035
   D197       0.89561   0.00000  -0.00030  -0.00015  -0.00045   0.89517
   D198       3.02248   0.00000  -0.00029  -0.00016  -0.00044   3.02203
   D199       1.97341   0.00000  -0.00028  -0.00001  -0.00029   1.97312
   D200      -2.26427   0.00000  -0.00027   0.00000  -0.00028  -2.26455
   D201      -0.13741   0.00000  -0.00026  -0.00001  -0.00027  -0.13768
   D202      -1.44464   0.00000  -0.00020   0.00005  -0.00015  -1.44480
   D203       0.57599   0.00000  -0.00022   0.00006  -0.00017   0.57583
   D204       2.65473   0.00000  -0.00020   0.00006  -0.00015   2.65459
   D205       1.72406   0.00000  -0.00041   0.00013  -0.00028   1.72379
   D206      -2.53849   0.00000  -0.00042   0.00014  -0.00029  -2.53877
   D207      -0.45974   0.00000  -0.00041   0.00014  -0.00027  -0.46001
   D208       0.69858   0.00000   0.00039  -0.00011   0.00028   0.69885
   D209      -2.51117   0.00000   0.00027   0.00005   0.00031  -2.51085
   D210      -1.37030   0.00000   0.00041  -0.00013   0.00029  -1.37001
   D211       1.70314   0.00000   0.00030   0.00003   0.00033   1.70347
   D212       2.85699   0.00000   0.00039  -0.00011   0.00029   2.85727
   D213      -0.35276   0.00000   0.00027   0.00005   0.00032  -0.35244
   D214       1.00596   0.00000  -0.00034   0.00011  -0.00023   1.00572
   D215      -2.06262   0.00000  -0.00021  -0.00006  -0.00028  -2.06290
   D216       0.00109   0.00000   0.00010  -0.00018  -0.00008   0.00101
   D217      -2.92202   0.00000  -0.00007   0.00005  -0.00002  -2.92204
   D218       3.07228   0.00000  -0.00002  -0.00002  -0.00004   3.07224
   D219       0.14917   0.00000  -0.00019   0.00021   0.00002   0.14919
   D220      -2.44905   0.00000   0.00045   0.00014   0.00059  -2.44846
   D221      -0.36146   0.00000   0.00042   0.00015   0.00057  -0.36088
   D222       1.71718   0.00000   0.00033   0.00014   0.00047   1.71765
   D223       0.90825   0.00000   0.00028   0.00036   0.00064   0.90889
   D224       2.99584   0.00000   0.00026   0.00037   0.00063   2.99647
   D225      -1.20871   0.00000   0.00016   0.00036   0.00052  -1.20819
         Item               Value     Threshold  Converged?
 Maximum Force            0.000038     0.000450     YES
 RMS     Force            0.000005     0.000300     YES
 Maximum Displacement     0.005868     0.001800     NO 
 RMS     Displacement     0.000724     0.001200     YES
 Predicted change in Energy=-7.791019D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.072200    2.538878    3.559754
      2          6           0       -3.330254    1.180425    3.653718
      3          6           0       -2.082539    1.110425    2.817331
      4          6           0       -1.697136    0.256425    1.794727
      5          7           0       -1.006826    1.999999    2.971586
      6          6           0       -0.029385    1.667651    2.065931
      7          7           0       -0.415998    0.611931    1.334930
      8          6           0       -5.230285    0.899032    0.146143
      9          6           0       -5.867280   -0.172232   -0.766076
     10          6           0       -5.239866   -1.575393   -0.577656
     11          6           0       -3.757633   -1.573922   -0.943206
     12          8           0       -3.363329   -1.077095   -2.050556
     13          8           0       -2.910003   -2.072030   -0.038811
     14          6           0       -2.266950    4.239451   -2.981910
     15          6           0       -0.993691    3.842592   -3.758084
     16          6           0       -0.192596    2.765415   -3.074958
     17          6           0       -0.320699    2.123987   -1.852385
     18          7           0        0.930729    2.168392   -3.673017
     19          6           0        1.429296    1.207974   -2.827482
     20          7           0        0.691285    1.158907   -1.710077
     21          6           0        4.685753    4.003118    1.490389
     22          6           0        5.162037    2.624008    1.996289
     23          6           0        4.193053    1.525020    1.651360
     24          6           0        3.202727    1.432559    0.683755
     25          7           0        4.135282    0.300801    2.336611
     26          6           0        3.135582   -0.469721    1.787115
     27          7           0        2.554187    0.194008    0.782349
     28         30           0        0.759179   -0.394478   -0.223051
     29          1           0       -4.985968    2.514313    4.164885
     30          1           0       -4.353790    2.759440    2.524163
     31          1           0       -3.455606    3.369264    3.931115
     32          1           0       -3.998147    0.377471    3.323896
     33          1           0       -3.089492    0.970849    4.706945
     34          1           0       -2.249126   -0.564787    1.360115
     35          1           0       -0.966534    2.765110    3.632190
     36          1           0        0.908477    2.190314    1.975727
     37          1           0       -4.160144    1.010799   -0.069686
     38          1           0       -5.341323    0.626897    1.205551
     39          1           0       -5.711218    1.875231   -0.003206
     40          1           0       -6.946026   -0.234316   -0.563774
     41          1           0       -5.745873    0.121357   -1.815997
     42          1           0       -5.352971   -1.925090    0.454939
     43          1           0       -5.754153   -2.290429   -1.235471
     44          1           0       -2.936351    3.380132   -2.857911
     45          1           0       -2.812363    5.019102   -3.525059
     46          1           0       -2.020747    4.632785   -1.987539
     47          1           0       -1.280961    3.495826   -4.762114
     48          1           0       -0.364638    4.734011   -3.904526
     49          1           0       -1.073540    2.262773   -1.094891
     50          1           0        1.294084    2.391424   -4.591052
     51          1           0        2.263812    0.561503   -3.042887
     52          1           0        4.577025    4.010777    0.399060
     53          1           0        3.721021    4.276453    1.934461
     54          1           0        5.413972    4.777759    1.755252
     55          1           0        5.300273    2.664408    3.086729
     56          1           0        6.150243    2.402266    1.566998
     57          1           0        2.914937    2.156051   -0.060837
     58          1           0        4.722977    0.035675    3.117013
     59          1           0        2.844711   -1.450407    2.126164
     60          8           0       -0.792066   -1.393529   -1.070301
     61          1           0       -1.226446   -1.055785   -1.887058
     62          1           0       -1.657730   -1.783730   -0.518678
     63          6           0        2.983046   -2.517175   -1.580133
     64          8           0        2.282866   -1.467278   -1.704126
     65          7           0        2.440904   -3.710097   -1.190355
     66          6           0        1.004011   -3.900011   -0.976819
     67          6           0        0.525402   -3.440779    0.408317
     68          8           0        0.989369   -2.370440    0.926725
     69          7           0       -0.448638   -4.178558    0.981329
     70          1           0        0.450489   -3.264056   -1.679609
     71          1           0        0.751353   -4.948892   -1.164868
     72          1           0        3.056300   -4.504837   -1.065294
     73          1           0       -0.803501   -4.982463    0.473543
     74          6           0       -1.214113   -3.748834    2.167845
     75          1           0       -1.372438   -4.603155    2.834011
     76          1           0       -0.642027   -2.980008    2.691068
     77          1           0       -2.173899   -3.329529    1.843742
     78          6           0        4.470239   -2.509816   -1.884576
     79          1           0        4.616547   -2.325959   -2.955587
     80          1           0        4.943007   -1.685536   -1.341196
     81          1           0        4.970123   -3.447844   -1.622072
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968738      0.0727427      0.0660039
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.6226392303 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33678 LenP2D=  122066.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000137   -0.000012   -0.000010 Ang=   0.02 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97582077     A.U. after    7 cycles
            NFock=  7  Conv=0.70D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33678 LenP2D=  122066.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000005260   -0.000006742    0.000001509
      3        6           0.000008318    0.000010104   -0.000006604
      4        6          -0.000007162    0.000007971    0.000009598
      5        7          -0.000012955   -0.000009884   -0.000004624
      6        6           0.000017522   -0.000001863    0.000011426
      7        7           0.000000571    0.000003276   -0.000018264
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000002034    0.000005976    0.000001668
     10        6          -0.000006509   -0.000002003    0.000007582
     11        6           0.000027529   -0.000010343   -0.000022096
     12        8          -0.000027363    0.000003883    0.000015832
     13        8          -0.000030172   -0.000010380    0.000000045
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000001794   -0.000007487    0.000000332
     16        6           0.000010421    0.000005615    0.000011705
     17        6           0.000014276   -0.000005190   -0.000006750
     18        7          -0.000017291    0.000003794   -0.000003225
     19        6           0.000006265   -0.000006100    0.000004076
     20        7          -0.000015449   -0.000004849    0.000006315
     21        6           0.000000000    0.000000000    0.000000000
     22        6           0.000001370    0.000002510    0.000001175
     23        6          -0.000007269    0.000005041   -0.000002013
     24        6           0.000007580   -0.000004042    0.000006817
     25        7           0.000006574   -0.000006145    0.000002420
     26        6          -0.000004780    0.000001661    0.000003870
     27        7          -0.000006656   -0.000002379    0.000001437
     28       30          -0.000007963    0.000033265   -0.000017998
     29        1           0.000000689    0.000000327    0.000000451
     30        1          -0.000005701    0.000002595    0.000006998
     31        1           0.000001797    0.000005335   -0.000005248
     32        1          -0.000002271   -0.000005298    0.000004722
     33        1           0.000003820   -0.000002220   -0.000007300
     34        1           0.000000564   -0.000001214   -0.000001859
     35        1           0.000000173    0.000000975    0.000000711
     36        1          -0.000003481    0.000001374    0.000000560
     37        1          -0.000003045    0.000001293   -0.000000697
     38        1          -0.000003069   -0.000000782   -0.000000975
     39        1          -0.000004277    0.000001911    0.000000213
     40        1          -0.000001206    0.000000746   -0.000004464
     41        1           0.000002949   -0.000002893   -0.000000871
     42        1          -0.000003864   -0.000002659   -0.000002402
     43        1           0.000002098    0.000000015   -0.000000531
     44        1           0.000000685   -0.000001801   -0.000002202
     45        1           0.000002406    0.000001899    0.000000383
     46        1          -0.000000239    0.000000221   -0.000000497
     47        1           0.000002793    0.000001113    0.000002268
     48        1          -0.000002692    0.000002764   -0.000002903
     49        1          -0.000003585    0.000005016   -0.000000940
     50        1           0.000002058    0.000000830    0.000000186
     51        1          -0.000000221    0.000002242   -0.000000285
     52        1          -0.000000746    0.000000482   -0.000000218
     53        1          -0.000001703    0.000000714   -0.000001487
     54        1          -0.000001596    0.000002207   -0.000000822
     55        1           0.000001050    0.000000053    0.000000388
     56        1          -0.000000144   -0.000000406    0.000000253
     57        1          -0.000002308   -0.000000831   -0.000003579
     58        1          -0.000001591    0.000002414   -0.000002309
     59        1           0.000001726    0.000000530   -0.000000833
     60        8          -0.000012950   -0.000011303    0.000003036
     61        1           0.000024866    0.000001650   -0.000007528
     62        1           0.000034341    0.000018477    0.000016045
     63        6           0.000009124   -0.000015659    0.000015663
     64        8          -0.000006232    0.000007781   -0.000012515
     65        7          -0.000006521    0.000006705    0.000007430
     66        6           0.000005046   -0.000003245    0.000005723
     67        6           0.000003194    0.000026575   -0.000018170
     68        8          -0.000002412   -0.000043045    0.000017092
     69        7          -0.000015686   -0.000001158    0.000000194
     70        1          -0.000001380   -0.000000768   -0.000004514
     71        1          -0.000000127   -0.000000418    0.000000300
     72        1           0.000003662    0.000000497   -0.000006612
     73        1           0.000006539   -0.000000092   -0.000001578
     74        6           0.000007017   -0.000007062    0.000007215
     75        1           0.000001185    0.000000154   -0.000004191
     76        1          -0.000002269    0.000000771   -0.000000948
     77        1          -0.000001848    0.000002403    0.000000510
     78        6           0.000006053    0.000005900   -0.000006466
     79        1          -0.000003532   -0.000001050    0.000001836
     80        1          -0.000000494   -0.000001114    0.000000833
     81        1           0.000000647   -0.000000673    0.000000735
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000043045 RMS     0.000008261

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000026578 RMS     0.000003823
 Search for a local minimum.
 Step number  56 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50   51   52   53   54
                                                     55   56
 DE= -4.74D-07 DEPred=-7.79D-08 R= 6.08D+00
 Trust test= 6.08D+00 RLast= 6.84D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00066   0.00078   0.00101   0.00151   0.00208
     Eigenvalues ---    0.00230   0.00231   0.00234   0.00241   0.00255
     Eigenvalues ---    0.00306   0.00384   0.00416   0.00534   0.00565
     Eigenvalues ---    0.00645   0.00702   0.00786   0.00883   0.00905
     Eigenvalues ---    0.00934   0.01158   0.01201   0.01282   0.01406
     Eigenvalues ---    0.01423   0.01598   0.01631   0.01754   0.01785
     Eigenvalues ---    0.01799   0.01853   0.01914   0.01933   0.02035
     Eigenvalues ---    0.02152   0.02232   0.02263   0.02271   0.02332
     Eigenvalues ---    0.02380   0.02488   0.02550   0.02782   0.02992
     Eigenvalues ---    0.03384   0.03631   0.03701   0.03846   0.03978
     Eigenvalues ---    0.04063   0.04143   0.04191   0.04236   0.04420
     Eigenvalues ---    0.04601   0.04732   0.04855   0.04981   0.05237
     Eigenvalues ---    0.05308   0.05338   0.05382   0.05389   0.05397
     Eigenvalues ---    0.05429   0.05470   0.05505   0.05510   0.05530
     Eigenvalues ---    0.05552   0.05646   0.05673   0.06219   0.06911
     Eigenvalues ---    0.07240   0.07478   0.07635   0.07720   0.08233
     Eigenvalues ---    0.08306   0.08670   0.09161   0.09323   0.09465
     Eigenvalues ---    0.09487   0.09690   0.10007   0.10241   0.10512
     Eigenvalues ---    0.11161   0.12169   0.12271   0.12443   0.12731
     Eigenvalues ---    0.12900   0.12993   0.13363   0.13449   0.14376
     Eigenvalues ---    0.14587   0.15536   0.15831   0.15882   0.15934
     Eigenvalues ---    0.15945   0.15973   0.15981   0.15990   0.15995
     Eigenvalues ---    0.15996   0.15998   0.16001   0.16004   0.16005
     Eigenvalues ---    0.16006   0.16008   0.16013   0.16019   0.16024
     Eigenvalues ---    0.16039   0.16047   0.16058   0.16081   0.16123
     Eigenvalues ---    0.16163   0.16191   0.16262   0.16347   0.16480
     Eigenvalues ---    0.16547   0.17157   0.18069   0.20056   0.20568
     Eigenvalues ---    0.21077   0.21525   0.22123   0.22342   0.22371
     Eigenvalues ---    0.22713   0.22878   0.23058   0.23305   0.23621
     Eigenvalues ---    0.23746   0.23983   0.24119   0.24471   0.24811
     Eigenvalues ---    0.25120   0.25213   0.25915   0.27446   0.27689
     Eigenvalues ---    0.28186   0.28247   0.28387   0.28555   0.29475
     Eigenvalues ---    0.30437   0.30603   0.31065   0.31553   0.31733
     Eigenvalues ---    0.31959   0.33586   0.33632   0.33646   0.33662
     Eigenvalues ---    0.33675   0.33786   0.33824   0.33837   0.33864
     Eigenvalues ---    0.33918   0.33937   0.33955   0.33986   0.34003
     Eigenvalues ---    0.34013   0.34039   0.34042   0.34081   0.34089
     Eigenvalues ---    0.34116   0.34151   0.34176   0.34182   0.34208
     Eigenvalues ---    0.34228   0.34298   0.34305   0.34411   0.34649
     Eigenvalues ---    0.35309   0.35746   0.35793   0.36165   0.36236
     Eigenvalues ---    0.36342   0.36505   0.36547   0.37712   0.39095
     Eigenvalues ---    0.39322   0.39782   0.42321   0.42688   0.42890
     Eigenvalues ---    0.45279   0.45369   0.45423   0.45553   0.45583
     Eigenvalues ---    0.45623   0.45675   0.46131   0.48790   0.49130
     Eigenvalues ---    0.49347   0.49750   0.49895   0.52627   0.54449
     Eigenvalues ---    0.54922   0.55080   0.56725   0.65204   0.73346
     Eigenvalues ---    0.768271000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    56   55   54   53   52
 RFO step:  Lambda=-1.66950824D-08.
 DidBck=F Rises=F RFO-DIIS coefs:    1.57413   -0.35803   -0.52774    0.30015    0.01149
 Iteration  1 RMS(Cart)=  0.00060860 RMS(Int)=  0.00000024
 Iteration  2 RMS(Cart)=  0.00000035 RMS(Int)=  0.00000007
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807  -0.00001   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00000   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00000   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00000   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93042  -0.00001   0.00000  -0.00002  -0.00002   2.93040
    R2        2.07161   0.00000   0.00001   0.00000   0.00000   2.07161
    R3        2.07043  -0.00001   0.00000  -0.00002  -0.00001   2.07041
    R4        2.07667  -0.00001   0.00001  -0.00002  -0.00001   2.07665
    R5        2.84166   0.00000   0.00001  -0.00001   0.00001   2.84166
    R6        2.06974  -0.00001   0.00001  -0.00003  -0.00001   2.06973
    R7        2.07971  -0.00001   0.00002  -0.00003  -0.00001   2.07970
    R8        2.62091   0.00000   0.00000   0.00001   0.00002   2.62093
    R9        2.65390   0.00001   0.00001   0.00000   0.00001   2.65391
   R10        2.65848   0.00000   0.00000   0.00000   0.00000   2.65849
   R11        2.04228   0.00000  -0.00001   0.00000  -0.00001   2.04227
   R12        2.59523  -0.00001   0.00000  -0.00001  -0.00002   2.59522
   R13        1.91172   0.00000   0.00000   0.00000   0.00000   1.91172
   R14        2.53419   0.00001  -0.00001   0.00000   0.00000   2.53419
   R15        2.03609   0.00000   0.00000   0.00000   0.00000   2.03609
   R16        4.14932   0.00000   0.00000   0.00007   0.00007   4.14939
   R17        2.91870   0.00000   0.00001  -0.00002  -0.00001   2.91869
   R18        2.07378   0.00000   0.00000   0.00000   0.00000   2.07378
   R19        2.07761   0.00000   0.00000   0.00000   0.00000   2.07761
   R20        2.07575   0.00000  -0.00001   0.00000  -0.00001   2.07574
   R21        2.92634   0.00000  -0.00001  -0.00001  -0.00002   2.92632
   R22        2.07739   0.00000   0.00000   0.00000   0.00000   2.07738
   R23        2.07291   0.00000   0.00000   0.00000   0.00000   2.07291
   R24        2.88494  -0.00001  -0.00002   0.00000  -0.00003   2.88491
   R25        2.07124   0.00000  -0.00001   0.00000  -0.00001   2.07123
   R26        2.07740   0.00000   0.00000   0.00000   0.00000   2.07740
   R27        2.41156  -0.00001  -0.00003   0.00002  -0.00001   2.41155
   R28        2.52441   0.00001   0.00005  -0.00003   0.00002   2.52443
   R29        4.05013  -0.00002  -0.00028  -0.00106  -0.00134   4.04879
   R30        2.59215  -0.00003  -0.00048   0.00036  -0.00012   2.59202
   R31        2.91602   0.00000   0.00000   0.00000   0.00000   2.91602
   R32        2.07173   0.00000   0.00000   0.00000   0.00000   2.07173
   R33        2.07039   0.00000   0.00000   0.00000   0.00000   2.07039
   R34        2.07362   0.00000   0.00001   0.00000   0.00000   2.07363
   R35        2.84636   0.00000   0.00001   0.00000   0.00001   2.84637
   R36        2.07943   0.00000   0.00000   0.00000   0.00000   2.07942
   R37        2.08023   0.00000   0.00000   0.00000   0.00000   2.08023
   R38        2.62020   0.00000  -0.00001  -0.00001  -0.00002   2.62019
   R39        2.65637   0.00001   0.00003   0.00001   0.00004   2.65641
   R40        2.65622   0.00001   0.00002   0.00001   0.00003   2.65625
   R41        2.03515   0.00000   0.00000   0.00000   0.00000   2.03514
   R42        2.59512  -0.00001   0.00000   0.00000   0.00000   2.59512
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53228  -0.00001  -0.00002  -0.00001  -0.00002   2.53225
   R45        2.03595   0.00000   0.00000   0.00000   0.00000   2.03595
   R46        4.06571   0.00000   0.00014  -0.00007   0.00006   4.06577
   R47        2.91822   0.00000  -0.00001  -0.00001  -0.00001   2.91821
   R48        2.07257   0.00000   0.00000   0.00000   0.00000   2.07258
   R49        2.07235   0.00000  -0.00001   0.00000  -0.00001   2.07234
   R50        2.07054   0.00000   0.00000   0.00000   0.00000   2.07054
   R51        2.84445   0.00000   0.00000   0.00000  -0.00001   2.84444
   R52        2.07853   0.00000   0.00000   0.00000   0.00001   2.07853
   R53        2.07871   0.00000   0.00000   0.00000   0.00000   2.07871
   R54        2.62227   0.00000   0.00000   0.00000   0.00000   2.62227
   R55        2.65345   0.00000   0.00001  -0.00001   0.00000   2.65345
   R56        2.64854   0.00000   0.00002   0.00000   0.00002   2.64856
   R57        2.03589   0.00000   0.00000   0.00000   0.00000   2.03590
   R58        2.60141   0.00000   0.00000   0.00000   0.00000   2.60141
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52695   0.00000   0.00000   0.00000   0.00000   2.52695
   R61        2.03644   0.00000   0.00000   0.00000   0.00000   2.03644
   R62        4.04384   0.00001   0.00016   0.00004   0.00020   4.04404
   R63        3.83679   0.00000  -0.00013   0.00005  -0.00008   3.83672
   R64        4.49822   0.00000   0.00028  -0.00029  -0.00001   4.49821
   R65        4.34201  -0.00002  -0.00055  -0.00020  -0.00075   4.34126
   R66        1.86102   0.00001   0.00001   0.00003   0.00005   1.86106
   R67        2.07519   0.00001   0.00023  -0.00016   0.00007   2.07526
   R68        2.39624  -0.00001  -0.00001  -0.00001  -0.00002   2.39622
   R69        2.58341   0.00001   0.00004  -0.00001   0.00003   2.58343
   R70        2.86870   0.00000  -0.00003   0.00000  -0.00003   2.86868
   R71        2.76851   0.00000   0.00001  -0.00001  -0.00001   2.76851
   R72        1.91410   0.00000   0.00000   0.00000   0.00000   1.91410
   R73        2.90217  -0.00001  -0.00001  -0.00001  -0.00002   2.90215
   R74        2.07417   0.00000   0.00000   0.00001   0.00000   2.07418
   R75        2.06953   0.00000   0.00000   0.00000   0.00000   2.06953
   R76        2.41237   0.00002   0.00002   0.00002   0.00004   2.41242
   R77        2.55037  -0.00001  -0.00001  -0.00001  -0.00002   2.55035
   R78        1.91790   0.00000   0.00000   0.00000   0.00000   1.91790
   R79        2.78915   0.00000   0.00002   0.00000   0.00002   2.78917
   R80        2.06898   0.00000  -0.00001   0.00000   0.00000   2.06897
   R81        2.06330   0.00000   0.00000   0.00000   0.00000   2.06330
   R82        2.07186   0.00000  -0.00001   0.00000  -0.00001   2.07185
   R83        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
   R84        2.06855   0.00000   0.00000   0.00000   0.00000   2.06855
   R85        2.06896   0.00000   0.00000   0.00000   0.00000   2.06896
    A1        1.92382   0.00000  -0.00001   0.00001   0.00000   1.92381
    A2        1.93542   0.00000   0.00001  -0.00001   0.00000   1.93541
    A3        1.95306   0.00000   0.00000   0.00000   0.00000   1.95306
    A4        1.88813   0.00000   0.00001   0.00000   0.00001   1.88814
    A5        1.87348   0.00000   0.00001   0.00000   0.00001   1.87349
    A6        1.88757   0.00000  -0.00001   0.00000  -0.00001   1.88756
    A7        1.98676   0.00001   0.00004   0.00000   0.00004   1.98680
    A8        1.90945   0.00000   0.00000   0.00000   0.00000   1.90945
    A9        1.90655   0.00000   0.00000  -0.00001  -0.00002   1.90653
   A10        1.88006   0.00000   0.00002  -0.00001   0.00002   1.88008
   A11        1.91974   0.00000  -0.00005   0.00001  -0.00003   1.91971
   A12        1.85666   0.00000  -0.00002   0.00000  -0.00002   1.85664
   A13        2.30411   0.00001   0.00005   0.00001   0.00007   2.30417
   A14        2.14716  -0.00001  -0.00004  -0.00003  -0.00006   2.14709
   A15        1.83192   0.00000  -0.00002   0.00001   0.00000   1.83192
   A16        1.91605   0.00000   0.00001   0.00000   0.00001   1.91606
   A17        2.24269   0.00000  -0.00001   0.00000  -0.00001   2.24268
   A18        2.12435   0.00000   0.00000   0.00000   0.00000   2.12435
   A19        1.89593   0.00000   0.00001  -0.00002  -0.00001   1.89592
   A20        2.19112   0.00000  -0.00002   0.00001  -0.00001   2.19111
   A21        2.19605   0.00000   0.00001   0.00001   0.00002   2.19608
   A22        1.92282   0.00000  -0.00001   0.00003   0.00003   1.92284
   A23        2.16197   0.00000   0.00001  -0.00001   0.00000   2.16197
   A24        2.19839   0.00000  -0.00001  -0.00002  -0.00003   2.19836
   A25        1.85805   0.00000   0.00000  -0.00002  -0.00002   1.85803
   A26        2.21866   0.00000  -0.00014   0.00005  -0.00009   2.21856
   A27        2.20596   0.00000   0.00014  -0.00002   0.00011   2.20608
   A28        1.93549   0.00000  -0.00003  -0.00001  -0.00004   1.93545
   A29        1.93455   0.00000   0.00000   0.00000   0.00001   1.93456
   A30        1.93428   0.00000   0.00002   0.00000   0.00002   1.93430
   A31        1.88937   0.00000  -0.00001   0.00000  -0.00001   1.88936
   A32        1.88568   0.00000   0.00000   0.00000   0.00000   1.88568
   A33        1.88260   0.00000   0.00002   0.00000   0.00002   1.88262
   A34        1.97090  -0.00001  -0.00004  -0.00001  -0.00005   1.97084
   A35        1.91261   0.00000   0.00003   0.00000   0.00003   1.91264
   A36        1.91136   0.00000  -0.00001   0.00000  -0.00001   1.91135
   A37        1.90077   0.00000   0.00001   0.00000   0.00001   1.90078
   A38        1.89034   0.00000   0.00003   0.00001   0.00004   1.89038
   A39        1.87535   0.00000  -0.00001   0.00000  -0.00001   1.87534
   A40        1.94268   0.00001   0.00000   0.00002   0.00002   1.94270
   A41        1.94112   0.00000  -0.00001   0.00001   0.00000   1.94112
   A42        1.90394   0.00000   0.00003  -0.00001   0.00002   1.90396
   A43        1.90295  -0.00001  -0.00004  -0.00001  -0.00005   1.90290
   A44        1.88763   0.00000   0.00002  -0.00001   0.00001   1.88765
   A45        1.88383   0.00000   0.00000   0.00000  -0.00001   1.88382
   A46        2.10382   0.00001   0.00008  -0.00002   0.00007   2.10389
   A47        2.04159  -0.00001  -0.00007   0.00002  -0.00005   2.04154
   A48        2.13717  -0.00001  -0.00001  -0.00001  -0.00002   2.13716
   A49        1.81908   0.00001  -0.00008   0.00012   0.00004   1.81912
   A50        1.83803   0.00000   0.00011  -0.00010   0.00000   1.83803
   A51        1.93813   0.00000   0.00001  -0.00001   0.00000   1.93812
   A52        1.92242   0.00000   0.00001   0.00000   0.00001   1.92243
   A53        1.94214   0.00000  -0.00001   0.00001   0.00000   1.94213
   A54        1.88588   0.00000  -0.00002  -0.00001  -0.00002   1.88585
   A55        1.89175   0.00000   0.00000   0.00000   0.00001   1.89175
   A56        1.88164   0.00000   0.00001   0.00000   0.00001   1.88165
   A57        1.97648   0.00000   0.00001   0.00000   0.00001   1.97649
   A58        1.90137   0.00000   0.00000  -0.00001  -0.00001   1.90136
   A59        1.90728   0.00000   0.00000   0.00001   0.00001   1.90729
   A60        1.90424   0.00000   0.00001   0.00000   0.00001   1.90425
   A61        1.91296   0.00000  -0.00003   0.00000  -0.00003   1.91293
   A62        1.85771   0.00000   0.00001   0.00000   0.00001   1.85772
   A63        2.32073   0.00001   0.00003   0.00000   0.00004   2.32077
   A64        2.13625   0.00000  -0.00003   0.00000  -0.00003   2.13622
   A65        1.82605   0.00000   0.00000  -0.00001  -0.00001   1.82604
   A66        1.91811   0.00000   0.00000   0.00000   0.00001   1.91812
   A67        2.24612   0.00001   0.00000   0.00002   0.00002   2.24614
   A68        2.11830   0.00000   0.00000  -0.00002  -0.00002   2.11828
   A69        1.90202   0.00000  -0.00001   0.00001  -0.00001   1.90201
   A70        2.18849   0.00000   0.00000  -0.00001  -0.00001   2.18848
   A71        2.19222   0.00000   0.00001   0.00000   0.00001   2.19224
   A72        1.91673   0.00000   0.00002   0.00000   0.00001   1.91675
   A73        2.18677   0.00000  -0.00001   0.00000  -0.00001   2.18676
   A74        2.17894   0.00000  -0.00001   0.00000  -0.00001   2.17894
   A75        1.86184   0.00000  -0.00001   0.00000  -0.00001   1.86183
   A76        2.19990   0.00000  -0.00017  -0.00003  -0.00020   2.19970
   A77        2.19617   0.00000   0.00014   0.00003   0.00017   2.19634
   A78        1.94206   0.00000   0.00000   0.00000  -0.00001   1.94205
   A79        1.94041   0.00000   0.00000   0.00001   0.00001   1.94042
   A80        1.92539   0.00000  -0.00001   0.00000  -0.00002   1.92537
   A81        1.89018   0.00000   0.00000   0.00000   0.00000   1.89019
   A82        1.87705   0.00000   0.00000   0.00000   0.00001   1.87705
   A83        1.88660   0.00000   0.00001   0.00000   0.00000   1.88660
   A84        1.95888   0.00000   0.00000   0.00000   0.00001   1.95889
   A85        1.90788   0.00000   0.00000   0.00000   0.00000   1.90788
   A86        1.90631   0.00000   0.00000   0.00000   0.00000   1.90630
   A87        1.91230   0.00000  -0.00001   0.00000  -0.00001   1.91229
   A88        1.91953   0.00000   0.00001   0.00000   0.00001   1.91954
   A89        1.85605   0.00000   0.00000   0.00000   0.00000   1.85605
   A90        2.30214   0.00000   0.00001   0.00000   0.00001   2.30215
   A91        2.15462   0.00000  -0.00001   0.00000  -0.00001   2.15460
   A92        1.82641   0.00000   0.00000   0.00000   0.00000   1.82642
   A93        1.91779   0.00000   0.00000   0.00000   0.00000   1.91779
   A94        2.24955   0.00000   0.00000   0.00000   0.00000   2.24955
   A95        2.11584   0.00000   0.00000   0.00000   0.00000   2.11585
   A96        1.89978   0.00000  -0.00001   0.00000   0.00000   1.89977
   A97        2.19038   0.00000   0.00001   0.00001   0.00001   2.19040
   A98        2.19290   0.00000   0.00000  -0.00001  -0.00001   2.19289
   A99        1.91543   0.00000   0.00001   0.00000   0.00001   1.91544
   A100       2.18927   0.00000   0.00000   0.00000   0.00000   2.18927
   A101       2.17822   0.00000  -0.00001   0.00000  -0.00001   2.17821
   A102       1.86534   0.00000  -0.00001   0.00000  -0.00001   1.86533
   A103       2.21195   0.00000  -0.00003   0.00002  -0.00001   2.21195
   A104       2.19105   0.00000  -0.00003  -0.00004  -0.00007   2.19098
   A105       1.71388   0.00000   0.00002  -0.00005  -0.00002   1.71386
   A106       1.56032   0.00000   0.00001  -0.00006  -0.00006   1.56027
   A107       1.68375  -0.00001   0.00006  -0.00014  -0.00009   1.68366
   A108       3.00477   0.00000   0.00002   0.00003   0.00006   3.00483
   A109       1.66366   0.00000   0.00006  -0.00005   0.00002   1.66367
   A110       1.72404   0.00000  -0.00005   0.00001  -0.00004   1.72400
   A111       1.61355   0.00000  -0.00005   0.00002  -0.00003   1.61352
   A112       1.48625   0.00000  -0.00013   0.00006  -0.00007   1.48617
   A113       2.89575   0.00001  -0.00007   0.00009   0.00002   2.89577
   A114       2.90553   0.00001   0.00005   0.00010   0.00015   2.90568
   A115       1.44984   0.00000  -0.00002   0.00010   0.00009   1.44993
   A116       1.48806   0.00000   0.00000   0.00000   0.00000   1.48806
   A117       1.57845   0.00000  -0.00002   0.00010   0.00008   1.57853
   A118       1.43256   0.00001   0.00008   0.00003   0.00011   1.43266
   A119       1.42998   0.00000   0.00004   0.00003   0.00007   1.43005
   A120       2.11102   0.00000   0.00009   0.00011   0.00020   2.11123
   A121       2.17428   0.00000   0.00005  -0.00002   0.00003   2.17430
   A122       1.76274   0.00000  -0.00011  -0.00010  -0.00021   1.76253
   A123       2.09397   0.00000   0.00020   0.00030   0.00050   2.09447
   A124       2.89632   0.00000  -0.00009  -0.00018  -0.00027   2.89606
   A125       2.13104   0.00000  -0.00005   0.00000  -0.00005   2.13099
   A126       2.11452   0.00000   0.00005   0.00000   0.00005   2.11458
   A127       2.03747  -0.00001  -0.00001   0.00000   0.00000   2.03746
   A128       2.29932  -0.00001  -0.00021   0.00004  -0.00017   2.29915
   A129       2.14555   0.00000  -0.00006  -0.00001  -0.00007   2.14547
   A130       2.07023   0.00000   0.00004   0.00001   0.00005   2.07028
   A131       2.06710   0.00000   0.00003   0.00000   0.00002   2.06713
   A132       1.98052   0.00000  -0.00003  -0.00003  -0.00006   1.98045
   A133       1.90305   0.00000  -0.00001   0.00000  -0.00001   1.90305
   A134       1.90223   0.00000   0.00003  -0.00002   0.00001   1.90224
   A135       1.82046   0.00001   0.00001   0.00005   0.00006   1.82051
   A136       1.94912   0.00000   0.00000   0.00000   0.00000   1.94912
   A137       1.90565   0.00000   0.00000   0.00000   0.00000   1.90566
   A138       2.09869   0.00000  -0.00001  -0.00002  -0.00003   2.09867
   A139       2.03129   0.00001   0.00004   0.00000   0.00005   2.03134
   A140       2.15106  -0.00001  -0.00003   0.00001  -0.00002   2.15103
   A141       2.07307  -0.00001   0.00002   0.00005   0.00008   2.07315
   A142       2.06342   0.00000   0.00000   0.00000   0.00000   2.06342
   A143       2.16092   0.00000  -0.00003   0.00002   0.00000   2.16092
   A144       2.03923   0.00000   0.00000  -0.00002  -0.00002   2.03921
   A145       1.91447   0.00000   0.00001  -0.00001  -0.00001   1.91446
   A146       1.89495   0.00000  -0.00002   0.00001  -0.00002   1.89493
   A147       1.90469   0.00000   0.00001  -0.00002  -0.00001   1.90468
   A148       1.91097   0.00000  -0.00001   0.00001   0.00001   1.91097
   A149       1.93018   0.00000   0.00005  -0.00001   0.00004   1.93022
   A150       1.90820   0.00000  -0.00004   0.00003  -0.00001   1.90820
   A151       1.90437   0.00001   0.00005   0.00000   0.00005   1.90442
   A152       1.90415   0.00000  -0.00002   0.00000  -0.00001   1.90414
   A153       1.97693   0.00000  -0.00001   0.00000  -0.00001   1.97692
   A154       1.87652   0.00000  -0.00001   0.00000  -0.00001   1.87651
   A155       1.89329   0.00000  -0.00001   0.00000  -0.00001   1.89328
   A156       1.90599   0.00000   0.00000   0.00000  -0.00001   1.90598
    D1        3.11055   0.00000   0.00009  -0.00004   0.00005   3.11060
    D2        1.00648   0.00000   0.00003  -0.00003   0.00000   1.00648
    D3       -1.01943   0.00000   0.00005  -0.00003   0.00003  -1.01940
    D4        1.02010   0.00000   0.00008  -0.00004   0.00005   1.02014
    D5       -1.08397   0.00000   0.00003  -0.00003  -0.00001  -1.08398
    D6       -3.10988   0.00000   0.00005  -0.00003   0.00002  -3.10986
    D7       -1.08916   0.00000   0.00009  -0.00003   0.00006  -1.08909
    D8        3.08996   0.00000   0.00003  -0.00003   0.00001   3.08997
    D9        1.06405   0.00000   0.00006  -0.00002   0.00004   1.06409
   D10       -2.12426   0.00000  -0.00011  -0.00029  -0.00041  -2.12467
   D11        1.01913   0.00000   0.00004  -0.00030  -0.00026   1.01887
   D12       -0.00378   0.00000  -0.00007  -0.00029  -0.00036  -0.00415
   D13        3.13961   0.00000   0.00008  -0.00030  -0.00022   3.13939
   D14        2.01291   0.00000  -0.00010  -0.00029  -0.00039   2.01252
   D15       -1.12688   0.00000   0.00005  -0.00030  -0.00025  -1.12713
   D16       -3.13826   0.00000   0.00007  -0.00001   0.00006  -3.13820
   D17        0.01759   0.00000   0.00021   0.00001   0.00022   0.01781
   D18        0.00178   0.00000  -0.00006  -0.00001  -0.00007   0.00171
   D19       -3.12557   0.00000   0.00007   0.00002   0.00009  -3.12548
   D20        3.13888   0.00000  -0.00011   0.00004  -0.00007   3.13880
   D21       -0.01587   0.00000  -0.00003  -0.00001  -0.00004  -0.01591
   D22       -0.00133   0.00000   0.00001   0.00003   0.00004  -0.00129
   D23        3.12711   0.00000   0.00009  -0.00002   0.00007   3.12718
   D24       -0.00157   0.00000   0.00010  -0.00002   0.00007  -0.00150
   D25        3.10712   0.00000   0.00007   0.00006   0.00013   3.10725
   D26        3.12691   0.00000  -0.00003  -0.00005  -0.00007   3.12683
   D27       -0.04758   0.00000  -0.00005   0.00003  -0.00002  -0.04760
   D28        0.00040   0.00000   0.00005  -0.00005   0.00000   0.00040
   D29       -3.13619   0.00000   0.00004  -0.00001   0.00003  -3.13616
   D30       -3.12800   0.00000  -0.00003   0.00000  -0.00003  -3.12802
   D31        0.01860   0.00000  -0.00004   0.00004   0.00000   0.01860
   D32        0.00070   0.00000  -0.00009   0.00005  -0.00005   0.00066
   D33       -3.10830   0.00000  -0.00006  -0.00004  -0.00010  -3.10840
   D34        3.13717   0.00000  -0.00008   0.00000  -0.00008   3.13709
   D35        0.02816   0.00000  -0.00005  -0.00008  -0.00013   0.02803
   D36        1.95191   0.00000   0.00003   0.00016   0.00019   1.95211
   D37       -2.60715   0.00000  -0.00001   0.00016   0.00015  -2.60701
   D38        0.32128   0.00001   0.00007   0.00017   0.00024   0.32152
   D39       -2.32609   0.00000  -0.00078   0.00037  -0.00041  -2.32650
   D40       -1.12044   0.00000  -0.00001   0.00015   0.00014  -1.12030
   D41       -1.22888   0.00000   0.00000   0.00026   0.00026  -1.22862
   D42        0.49524   0.00000  -0.00005   0.00025   0.00021   0.49545
   D43       -2.85951   0.00000   0.00004   0.00026   0.00031  -2.85920
   D44        0.77631   0.00000  -0.00082   0.00047  -0.00035   0.77596
   D45        1.98196   0.00000  -0.00005   0.00025   0.00020   1.98216
   D46        1.06378   0.00000   0.00005  -0.00003   0.00002   1.06380
   D47       -3.09722   0.00000   0.00005  -0.00003   0.00002  -3.09721
   D48       -1.04421   0.00000   0.00005  -0.00004   0.00001  -1.04419
   D49       -1.03533   0.00000   0.00008  -0.00003   0.00005  -1.03528
   D50        1.08685   0.00000   0.00008  -0.00003   0.00005   1.08690
   D51        3.13987   0.00000   0.00008  -0.00004   0.00004   3.13991
   D52       -3.12512   0.00000   0.00005  -0.00003   0.00001  -3.12511
   D53       -1.00294   0.00000   0.00004  -0.00004   0.00001  -1.00293
   D54        1.05007   0.00000   0.00004  -0.00004   0.00000   1.05008
   D55       -1.08425   0.00000   0.00017  -0.00008   0.00008  -1.08417
   D56        1.04147   0.00000   0.00010  -0.00007   0.00003   1.04150
   D57        3.11737   0.00000   0.00012  -0.00008   0.00004   3.11741
   D58        3.07008   0.00000   0.00016  -0.00008   0.00007   3.07016
   D59       -1.08738   0.00000   0.00010  -0.00007   0.00002  -1.08736
   D60        0.98852   0.00000   0.00011  -0.00008   0.00003   0.98856
   D61        1.03567   0.00000   0.00015  -0.00009   0.00006   1.03573
   D62       -3.12180   0.00000   0.00008  -0.00008   0.00001  -3.12179
   D63       -1.04589   0.00000   0.00010  -0.00008   0.00002  -1.04588
   D64       -0.86936   0.00000   0.00006   0.00018   0.00025  -0.86911
   D65        2.23605   0.00000   0.00013   0.00003   0.00016   2.23621
   D66       -3.01710   0.00000   0.00010   0.00016   0.00026  -3.01683
   D67        0.08831   0.00000   0.00017   0.00001   0.00018   0.08849
   D68        1.22190   0.00000   0.00011   0.00018   0.00029   1.22219
   D69       -1.95588   0.00000   0.00018   0.00002   0.00020  -1.95567
   D70        2.98698   0.00000   0.00022  -0.00009   0.00013   2.98711
   D71       -0.11639   0.00000   0.00015   0.00007   0.00022  -0.11617
   D72       -2.99667   0.00000  -0.00011   0.00006  -0.00005  -2.99672
   D73        0.10799   0.00000  -0.00004  -0.00010  -0.00014   0.10785
   D74        0.00276   0.00000  -0.00028   0.00002  -0.00025   0.00251
   D75        0.22025   0.00000  -0.00039  -0.00022  -0.00060   0.21964
   D76       -1.04711   0.00000  -0.00001  -0.00003  -0.00004  -1.04715
   D77        1.07523   0.00000   0.00000  -0.00003  -0.00003   1.07519
   D78        3.09828   0.00000   0.00001  -0.00003  -0.00002   3.09826
   D79       -3.13557   0.00000   0.00000  -0.00001  -0.00002  -3.13559
   D80       -1.01323   0.00000   0.00001  -0.00002  -0.00001  -1.01324
   D81        1.00982   0.00000   0.00002  -0.00002   0.00000   1.00983
   D82        1.06187   0.00000  -0.00001  -0.00002  -0.00004   1.06184
   D83       -3.09897   0.00000   0.00000  -0.00003  -0.00003  -3.09900
   D84       -1.07591   0.00000   0.00001  -0.00003  -0.00002  -1.07593
   D85       -0.08758   0.00000   0.00040   0.00027   0.00067  -0.08691
   D86        3.03213   0.00000   0.00043   0.00028   0.00071   3.03284
   D87       -2.20831   0.00000   0.00039   0.00028   0.00067  -2.20764
   D88        0.91140   0.00000   0.00042   0.00029   0.00071   0.91211
   D89        2.04705   0.00000   0.00039   0.00028   0.00067   2.04772
   D90       -1.11643   0.00000   0.00042   0.00029   0.00071  -1.11572
   D91        3.11802   0.00000   0.00004   0.00002   0.00006   3.11808
   D92        0.01536   0.00000   0.00006   0.00001   0.00007   0.01543
   D93       -0.00448   0.00000   0.00002   0.00001   0.00003  -0.00445
   D94       -3.10714   0.00000   0.00004   0.00000   0.00004  -3.10711
   D95       -3.11837   0.00000  -0.00003   0.00000  -0.00003  -3.11841
   D96       -0.00779   0.00000   0.00006  -0.00004   0.00002  -0.00777
   D97        0.00667   0.00000  -0.00001   0.00001   0.00000   0.00667
   D98        3.11725   0.00000   0.00008  -0.00003   0.00005   3.11730
   D99        0.00065   0.00000  -0.00002  -0.00002  -0.00004   0.00061
   D100      -2.91146   0.00000   0.00011  -0.00003   0.00008  -2.91138
   D101       3.10666   0.00000  -0.00004  -0.00001  -0.00005   3.10661
   D102       0.19455   0.00000   0.00009  -0.00002   0.00007   0.19462
   D103      -0.00662   0.00000   0.00000  -0.00002  -0.00002  -0.00664
   D104       3.09519   0.00000  -0.00008  -0.00002  -0.00010   3.09509
   D105      -3.11712   0.00000  -0.00009   0.00002  -0.00007  -3.11719
   D106      -0.01531   0.00000  -0.00017   0.00002  -0.00015  -0.01546
   D107       0.00366   0.00000   0.00001   0.00003   0.00004   0.00370
   D108       2.91640   0.00000  -0.00017   0.00003  -0.00014   2.91625
   D109      -3.09837   0.00000   0.00009   0.00002   0.00011  -3.09826
   D110      -0.18563   0.00000  -0.00009   0.00002  -0.00007  -0.18570
   D111      -0.47390   0.00000  -0.00038  -0.00021  -0.00059  -0.47449
   D112      -2.05624   0.00000  -0.00038  -0.00014  -0.00052  -2.05676
   D113       1.21733  -0.00001  -0.00033  -0.00035  -0.00068   1.21665
   D114       2.79219   0.00000  -0.00035  -0.00025  -0.00060   2.79159
   D115       2.38072   0.00000  -0.00010  -0.00029  -0.00038   2.38033
   D116       2.93982   0.00000  -0.00020  -0.00022  -0.00041   2.93941
   D117       1.35748   0.00000  -0.00020  -0.00014  -0.00035   1.35713
   D118      -1.65214  -0.00001  -0.00015  -0.00036  -0.00051  -1.65264
   D119      -0.07728   0.00000  -0.00017  -0.00026  -0.00043  -0.07771
   D120      -0.48875   0.00000   0.00008  -0.00029  -0.00021  -0.48896
   D121      -1.05689   0.00000  -0.00004  -0.00003  -0.00007  -1.05695
   D122       3.10083   0.00000  -0.00003  -0.00003  -0.00005   3.10077
   D123       1.07667   0.00000  -0.00003  -0.00003  -0.00005   1.07661
   D124       1.05162   0.00000  -0.00003  -0.00003  -0.00006   1.05156
   D125      -1.07385   0.00000  -0.00002  -0.00002  -0.00005  -1.07390
   D126      -3.09801   0.00000  -0.00002  -0.00002  -0.00005  -3.09806
   D127      -3.13878   0.00000  -0.00003  -0.00003  -0.00006  -3.13883
   D128       1.01894   0.00000  -0.00002  -0.00003  -0.00005   1.01889
   D129      -1.00522   0.00000  -0.00002  -0.00002  -0.00005  -1.00527
   D130       0.37212   0.00000  -0.00070  -0.00043  -0.00113   0.37099
   D131      -2.76158   0.00000  -0.00061  -0.00042  -0.00103  -2.76261
   D132       2.49507   0.00000  -0.00071  -0.00043  -0.00114   2.49393
   D133      -0.63864   0.00000  -0.00061  -0.00042  -0.00103  -0.63967
   D134      -1.75390   0.00000  -0.00071  -0.00043  -0.00114  -1.75503
   D135       1.39558   0.00000  -0.00061  -0.00042  -0.00103   1.39455
   D136      -3.12731   0.00000   0.00004   0.00002   0.00006  -3.12725
   D137       0.01198   0.00000   0.00013   0.00003   0.00016   0.01214
   D138       0.00748   0.00000  -0.00005   0.00001  -0.00003   0.00745
   D139      -3.13641   0.00000   0.00005   0.00002   0.00007  -3.13634
   D140       3.12807   0.00000  -0.00002  -0.00004  -0.00006   3.12801
   D141       0.00284   0.00000  -0.00010  -0.00005  -0.00015   0.00269
   D142      -0.00746   0.00000   0.00006  -0.00003   0.00002  -0.00744
   D143      -3.13269   0.00000  -0.00003  -0.00004  -0.00007  -3.13275
   D144      -0.00479   0.00000   0.00002   0.00001   0.00003  -0.00476
   D145       2.95953   0.00000  -0.00041  -0.00009  -0.00050   2.95903
   D146       3.13890   0.00000  -0.00006   0.00000  -0.00006   3.13883
   D147      -0.17997   0.00000  -0.00049  -0.00010  -0.00059  -0.18056
   D148       0.00483   0.00000  -0.00004   0.00004  -0.00001   0.00482
   D149      -3.11285   0.00000  -0.00007   0.00004  -0.00003  -3.11288
   D150       3.13003   0.00000   0.00004   0.00005   0.00008   3.13011
   D151       0.01235   0.00000   0.00001   0.00005   0.00007   0.01241
   D152      -0.00008   0.00000   0.00001  -0.00003  -0.00001  -0.00009
   D153      -2.96711   0.00000   0.00044   0.00006   0.00050  -2.96661
   D154       3.11779   0.00000   0.00004  -0.00003   0.00000   3.11779
   D155       0.15076   0.00000   0.00046   0.00005   0.00052   0.15127
   D156      -1.44416   0.00000   0.00035  -0.00005   0.00030  -1.44387
   D157       0.26980   0.00000   0.00037  -0.00011   0.00026   0.27006
   D158       2.81440   0.00000  -0.00005   0.00072   0.00067   2.81506
   D159       1.73555   0.00000   0.00024  -0.00003   0.00021   1.73576
   D160      -3.10902   0.00000   0.00028  -0.00001   0.00028  -3.10874
   D161       1.48853   0.00000  -0.00016  -0.00016  -0.00032   1.48822
   D162      -3.08069  -0.00001  -0.00013  -0.00022  -0.00035  -3.08104
   D163      -0.53609   0.00000  -0.00056   0.00061   0.00005  -0.53604
   D164      -1.61494   0.00000  -0.00027  -0.00014  -0.00041  -1.61534
   D165      -0.17632   0.00000  -0.00022  -0.00012  -0.00034  -0.17666
   D166       1.73255   0.00000  -0.00016  -0.00035  -0.00050   1.73205
   D167      -0.59083   0.00000  -0.00015  -0.00030  -0.00045  -0.59128
   D168       0.01271   0.00000  -0.00018  -0.00029  -0.00047   0.01225
   D169      -2.31067   0.00001  -0.00017  -0.00024  -0.00041  -2.31109
   D170      -2.53922   0.00000   0.00025  -0.00111  -0.00086  -2.54008
   D171       1.42058   0.00000   0.00025  -0.00106  -0.00081   1.41977
   D172      -1.47378   0.00000  -0.00004  -0.00035  -0.00040  -1.47418
   D173       2.48601   0.00000  -0.00004  -0.00031  -0.00034   2.48567
   D174      -2.90132   0.00000  -0.00009  -0.00037  -0.00046  -2.90178
   D175       1.05848   0.00000  -0.00009  -0.00032  -0.00041   1.05807
   D176       1.01269   0.00000   0.00051  -0.00011   0.00040   1.01309
   D177       3.03203   0.00000  -0.00030   0.00009  -0.00020   3.03183
   D178       1.29586   0.00000  -0.00027   0.00011  -0.00016   1.29570
   D179      -1.63810   0.00000  -0.00035   0.00011  -0.00024  -1.63834
   D180      -0.20803   0.00000  -0.00027   0.00012  -0.00014  -0.20818
   D181       2.09034   0.00000   0.00005  -0.00005   0.00000   2.09034
   D182      -0.76603   0.00000  -0.00023   0.00003  -0.00020  -0.76623
   D183      -2.64033   0.00000   0.00005  -0.00011  -0.00006  -2.64039
   D184       0.41803   0.00000   0.00000   0.00009   0.00008   0.41812
   D185      -1.18029   0.00000   0.00003   0.00000   0.00003  -1.18026
   D186      -2.38757   0.00000   0.00012  -0.00003   0.00009  -2.38749
   D187       0.09513   0.00000   0.00016  -0.00006   0.00009   0.09523
   D188       2.12032   0.00000   0.00034   0.00036   0.00070   2.12102
   D189      -0.32979   0.00000   0.00028   0.00033   0.00061  -0.32918
   D190       0.90232   0.00000   0.00032  -0.00005   0.00027   0.90258
   D191      -2.25838   0.00000   0.00027  -0.00008   0.00019  -2.25819
   D192       0.07771   0.00000  -0.00012  -0.00007  -0.00020   0.07751
   D193      -3.09092  -0.00001  -0.00011  -0.00011  -0.00022  -3.09115
   D194      -3.04558   0.00000  -0.00008  -0.00005  -0.00013  -3.04570
   D195       0.06898   0.00000  -0.00007  -0.00009  -0.00015   0.06882
   D196      -1.15035   0.00000  -0.00014   0.00001  -0.00013  -1.15048
   D197       0.89517   0.00000  -0.00012   0.00001  -0.00012   0.89505
   D198       3.02203   0.00000  -0.00015   0.00000  -0.00014   3.02189
   D199       1.97312   0.00000  -0.00018  -0.00002  -0.00020   1.97292
   D200      -2.26455   0.00000  -0.00017  -0.00002  -0.00019  -2.26474
   D201      -0.13768   0.00000  -0.00019  -0.00002  -0.00022  -0.13790
   D202      -1.44480   0.00000  -0.00004   0.00002  -0.00002  -1.44482
   D203       0.57583   0.00000  -0.00006   0.00006   0.00001   0.57583
   D204       2.65459   0.00000  -0.00004   0.00005   0.00001   2.65460
   D205       1.72379   0.00000  -0.00005   0.00006   0.00001   1.72379
   D206      -2.53877   0.00000  -0.00007   0.00010   0.00003  -2.53874
   D207      -0.46001   0.00000  -0.00005   0.00009   0.00004  -0.45997
   D208       0.69885   0.00000   0.00001   0.00022   0.00023   0.69908
   D209      -2.51085   0.00000   0.00004   0.00013   0.00017  -2.51068
   D210      -1.37001   0.00000   0.00003   0.00021   0.00024  -1.36977
   D211       1.70347   0.00000   0.00006   0.00012   0.00018   1.70365
   D212       2.85727   0.00000   0.00002   0.00018   0.00020   2.85747
   D213      -0.35244   0.00000   0.00005   0.00009   0.00014  -0.35229
   D214       1.00572   0.00000   0.00011  -0.00021  -0.00009   1.00563
   D215      -2.06290   0.00000   0.00007  -0.00011  -0.00003  -2.06293
   D216       0.00101   0.00000  -0.00018  -0.00002  -0.00020   0.00081
   D217      -2.92204   0.00000  -0.00008   0.00002  -0.00006  -2.92210
   D218       3.07224  -0.00001  -0.00014  -0.00012  -0.00025   3.07199
   D219       0.14919   0.00000  -0.00004  -0.00007  -0.00011   0.14907
   D220      -2.44846   0.00000   0.00035   0.00009   0.00043  -2.44803
   D221      -0.36088   0.00000   0.00033   0.00010   0.00043  -0.36045
   D222       1.71765   0.00000   0.00028   0.00013   0.00040   1.71805
   D223       0.90889   0.00000   0.00044   0.00013   0.00057   0.90946
   D224       2.99647   0.00000   0.00042   0.00014   0.00057   2.99703
   D225      -1.20819   0.00000   0.00037   0.00016   0.00054  -1.20765
         Item               Value     Threshold  Converged?
 Maximum Force            0.000026     0.000450     YES
 RMS     Force            0.000004     0.000300     YES
 Maximum Displacement     0.005218     0.001800     NO 
 RMS     Displacement     0.000609     0.001200     YES
 Predicted change in Energy=-4.604557D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.071915    2.539435    3.559665
      2          6           0       -3.330003    1.180970    3.653573
      3          6           0       -2.082363    1.110857    2.817079
      4          6           0       -1.696847    0.256573    1.794743
      5          7           0       -1.006746    2.000600    2.971065
      6          6           0       -0.029294    1.668097    2.065491
      7          7           0       -0.415779    0.612129    1.334784
      8          6           0       -5.230299    0.898776    0.146547
      9          6           0       -5.867303   -0.172444   -0.765711
     10          6           0       -5.239757   -1.575547   -0.577393
     11          6           0       -3.757530   -1.573929   -0.942910
     12          8           0       -3.363135   -1.076769   -2.050074
     13          8           0       -2.909941   -2.072224   -0.038561
     14          6           0       -2.267339    4.238531   -2.982569
     15          6           0       -0.994262    3.841425   -3.758910
     16          6           0       -0.192890    2.764607   -3.075529
     17          6           0       -0.320952    2.123207   -1.852947
     18          7           0        0.930821    2.168012   -3.673333
     19          6           0        1.429625    1.207870   -2.827629
     20          7           0        0.691446    1.158581   -1.710360
     21          6           0        4.685806    4.003376    1.489105
     22          6           0        5.161398    2.624668    1.996726
     23          6           0        4.192752    1.525453    1.651588
     24          6           0        3.202779    1.432673    0.683652
     25          7           0        4.134912    0.301357    2.337055
     26          6           0        3.135533   -0.469416    1.787333
     27          7           0        2.554399    0.194026    0.782227
     28         30           0        0.759284   -0.394636   -0.223107
     29          1           0       -4.985596    2.514919    4.164933
     30          1           0       -4.353641    2.759961    2.524111
     31          1           0       -3.455241    3.369813    3.930888
     32          1           0       -3.997965    0.378027    3.323886
     33          1           0       -3.089126    0.971432    4.706778
     34          1           0       -2.248770   -0.564785    1.360337
     35          1           0       -0.966532    2.765887    3.631471
     36          1           0        0.908524    2.190816    1.975137
     37          1           0       -4.160185    1.010601   -0.069392
     38          1           0       -5.341199    0.626531    1.205941
     39          1           0       -5.711283    1.874964   -0.002664
     40          1           0       -6.946031   -0.234626   -0.563358
     41          1           0       -5.745984    0.121252   -1.815614
     42          1           0       -5.352794   -1.925317    0.455181
     43          1           0       -5.753979   -2.290610   -1.235232
     44          1           0       -2.936658    3.379224   -2.858048
     45          1           0       -2.812959    5.017912   -3.525898
     46          1           0       -2.020894    4.632288   -1.988426
     47          1           0       -1.281785    3.494200   -4.762708
     48          1           0       -0.365296    4.732814   -3.905905
     49          1           0       -1.074006    2.261686   -1.095609
     50          1           0        1.294281    2.391168   -4.591296
     51          1           0        2.264405    0.561682   -3.042865
     52          1           0        4.578431    4.010134    0.397634
     53          1           0        3.720544    4.277132    1.931757
     54          1           0        5.413746    4.778187    1.754231
     55          1           0        5.298340    2.665978    3.087298
     56          1           0        6.150100    2.402507    1.568794
     57          1           0        2.915192    2.155963   -0.061216
     58          1           0        4.722400    0.036429    3.117679
     59          1           0        2.844699   -1.450091    2.126449
     60          8           0       -0.792166   -1.393519   -1.070081
     61          1           0       -1.226956   -1.055741   -1.886634
     62          1           0       -1.657700   -1.783866   -0.518287
     63          6           0        2.982981   -2.517465   -1.579949
     64          8           0        2.282784   -1.467625   -1.704227
     65          7           0        2.440765   -3.710319   -1.190016
     66          6           0        1.003851   -3.900011   -0.976448
     67          6           0        0.525411   -3.440548    0.408657
     68          8           0        0.989428   -2.370070    0.926788
     69          7           0       -0.448559   -4.178186    0.981951
     70          1           0        0.450417   -3.264066   -1.679322
     71          1           0        0.751040   -4.948879   -1.164353
     72          1           0        3.056068   -4.505118   -1.064892
     73          1           0       -0.803638   -4.982082    0.474297
     74          6           0       -1.213807   -3.748230    2.168542
     75          1           0       -1.371672   -4.602342    2.835079
     76          1           0       -0.641774   -2.979037    2.691285
     77          1           0       -2.173794   -3.329308    1.844558
     78          6           0        4.470187   -2.510208   -1.884263
     79          1           0        4.616641   -2.326739   -2.955319
     80          1           0        4.942893   -1.685732   -1.341124
     81          1           0        4.970042   -3.448138   -1.621358
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968751      0.0727437      0.0660079
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.6837879968 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122068.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000083   -0.000010   -0.000010 Ang=   0.01 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97582108     A.U. after    7 cycles
            NFock=  7  Conv=0.61D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122068.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6           0.000001915   -0.000000672    0.000001007
      3        6           0.000002056    0.000010734   -0.000001669
      4        6           0.000006941   -0.000002018    0.000009504
      5        7          -0.000009715   -0.000003136   -0.000006705
      6        6           0.000004377   -0.000009729    0.000004480
      7        7           0.000003623    0.000007546   -0.000007117
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000001605    0.000002256    0.000002495
     10        6          -0.000002915    0.000002335   -0.000002581
     11        6           0.000013397   -0.000008770    0.000002389
     12        8          -0.000019881    0.000003326    0.000003999
     13        8          -0.000021744   -0.000004240   -0.000001423
     14        6           0.000000000    0.000000000    0.000000000
     15        6           0.000000387   -0.000003565    0.000002318
     16        6           0.000001136    0.000000363    0.000003451
     17        6           0.000007730   -0.000002890   -0.000002918
     18        7          -0.000007996    0.000001444    0.000001184
     19        6          -0.000000811   -0.000003598    0.000001004
     20        7           0.000001880   -0.000000101    0.000011626
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000000033    0.000002137   -0.000000025
     23        6          -0.000003396    0.000003097    0.000000180
     24        6           0.000000547    0.000000101    0.000000909
     25        7           0.000003347   -0.000004617    0.000000950
     26        6          -0.000005052    0.000003496   -0.000000857
     27        7           0.000003965   -0.000006004    0.000004493
     28       30          -0.000014957    0.000014120   -0.000020993
     29        1          -0.000000886   -0.000001221   -0.000000560
     30        1          -0.000002025    0.000001091    0.000002557
     31        1           0.000001102    0.000001731   -0.000001247
     32        1          -0.000000558   -0.000002435    0.000001716
     33        1           0.000002545   -0.000000979   -0.000004036
     34        1           0.000001217    0.000001473   -0.000001559
     35        1          -0.000000181   -0.000000172   -0.000001478
     36        1          -0.000001684   -0.000000181   -0.000000438
     37        1          -0.000001533    0.000000344    0.000000792
     38        1          -0.000000918   -0.000000832   -0.000000964
     39        1          -0.000001692    0.000000548    0.000000702
     40        1          -0.000000588    0.000001301   -0.000002707
     41        1           0.000001196   -0.000000901   -0.000001243
     42        1          -0.000001813   -0.000000807   -0.000001231
     43        1           0.000002250   -0.000000152   -0.000000321
     44        1           0.000000330   -0.000000478   -0.000001400
     45        1           0.000001276    0.000000860   -0.000000083
     46        1           0.000000334    0.000000583   -0.000000884
     47        1           0.000002175    0.000000868    0.000000752
     48        1          -0.000001536    0.000001889   -0.000002971
     49        1          -0.000002711    0.000002564    0.000000259
     50        1           0.000001622    0.000001812   -0.000001218
     51        1          -0.000000476    0.000000155    0.000000384
     52        1          -0.000000359    0.000000498    0.000000363
     53        1           0.000000255    0.000000137   -0.000000245
     54        1          -0.000000260    0.000001463   -0.000000506
     55        1           0.000000551   -0.000000347    0.000000058
     56        1          -0.000000261    0.000000037    0.000000162
     57        1           0.000000219   -0.000000259   -0.000000418
     58        1          -0.000000962    0.000001278   -0.000001377
     59        1           0.000002129   -0.000000105    0.000001064
     60        8          -0.000001656   -0.000001462    0.000001431
     61        1           0.000014206   -0.000003664   -0.000005652
     62        1           0.000026823    0.000011048    0.000008034
     63        6           0.000009678    0.000003338    0.000001556
     64        8          -0.000007379   -0.000003927   -0.000002501
     65        7          -0.000006524   -0.000002869    0.000006435
     66        6          -0.000000854    0.000001845    0.000002506
     67        6           0.000015227    0.000009095   -0.000012758
     68        8          -0.000007919   -0.000017718    0.000011443
     69        7          -0.000008889   -0.000001179    0.000004353
     70        1           0.000000298    0.000000792   -0.000000273
     71        1           0.000000399    0.000000561    0.000000281
     72        1           0.000001266   -0.000000465   -0.000003464
     73        1           0.000001108    0.000001353    0.000000032
     74        6          -0.000001438   -0.000009384    0.000001384
     75        1           0.000003924    0.000001958   -0.000002681
     76        1          -0.000001752    0.000002093   -0.000000929
     77        1           0.000001164    0.000003516    0.000000144
     78        6          -0.000000589    0.000001195   -0.000003665
     79        1          -0.000000119   -0.000000646    0.000000942
     80        1          -0.000001052   -0.000000335    0.000000611
     81        1           0.000000277   -0.000000646    0.000000798
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000026823 RMS     0.000005017

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000018172 RMS     0.000002450
 Search for a local minimum.
 Step number  57 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50   51   52   53   54
                                                     55   56   57
 DE= -3.13D-07 DEPred=-4.60D-08 R= 6.80D+00
 Trust test= 6.80D+00 RLast= 5.16D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00063   0.00077   0.00099   0.00157   0.00209
     Eigenvalues ---    0.00230   0.00231   0.00234   0.00241   0.00253
     Eigenvalues ---    0.00304   0.00360   0.00413   0.00532   0.00567
     Eigenvalues ---    0.00642   0.00701   0.00770   0.00877   0.00899
     Eigenvalues ---    0.00959   0.01158   0.01173   0.01269   0.01344
     Eigenvalues ---    0.01430   0.01591   0.01657   0.01721   0.01776
     Eigenvalues ---    0.01797   0.01853   0.01914   0.01929   0.02034
     Eigenvalues ---    0.02159   0.02239   0.02261   0.02265   0.02350
     Eigenvalues ---    0.02426   0.02484   0.02540   0.02806   0.02956
     Eigenvalues ---    0.03380   0.03503   0.03702   0.03825   0.03999
     Eigenvalues ---    0.04059   0.04127   0.04192   0.04234   0.04425
     Eigenvalues ---    0.04610   0.04745   0.04849   0.04961   0.05235
     Eigenvalues ---    0.05302   0.05331   0.05382   0.05388   0.05391
     Eigenvalues ---    0.05431   0.05465   0.05497   0.05510   0.05516
     Eigenvalues ---    0.05553   0.05603   0.05672   0.06214   0.06905
     Eigenvalues ---    0.07228   0.07477   0.07636   0.07745   0.08228
     Eigenvalues ---    0.08309   0.08563   0.09158   0.09320   0.09477
     Eigenvalues ---    0.09573   0.09694   0.09899   0.10164   0.10502
     Eigenvalues ---    0.11240   0.11977   0.12178   0.12404   0.12647
     Eigenvalues ---    0.12870   0.12985   0.13102   0.13388   0.14224
     Eigenvalues ---    0.14588   0.15578   0.15799   0.15853   0.15896
     Eigenvalues ---    0.15944   0.15975   0.15977   0.15990   0.15994
     Eigenvalues ---    0.15996   0.15998   0.16001   0.16004   0.16006
     Eigenvalues ---    0.16007   0.16008   0.16014   0.16020   0.16023
     Eigenvalues ---    0.16044   0.16054   0.16063   0.16082   0.16107
     Eigenvalues ---    0.16133   0.16191   0.16241   0.16278   0.16432
     Eigenvalues ---    0.16512   0.16782   0.18075   0.19796   0.20557
     Eigenvalues ---    0.21087   0.21489   0.22121   0.22350   0.22430
     Eigenvalues ---    0.22781   0.22931   0.23097   0.23332   0.23612
     Eigenvalues ---    0.23885   0.24069   0.24143   0.24474   0.24926
     Eigenvalues ---    0.25123   0.25470   0.25769   0.27443   0.27693
     Eigenvalues ---    0.28142   0.28236   0.28387   0.28666   0.29883
     Eigenvalues ---    0.30451   0.30629   0.31183   0.31558   0.31729
     Eigenvalues ---    0.31953   0.33570   0.33627   0.33645   0.33662
     Eigenvalues ---    0.33675   0.33788   0.33810   0.33848   0.33864
     Eigenvalues ---    0.33919   0.33932   0.33945   0.33985   0.34004
     Eigenvalues ---    0.34013   0.34036   0.34045   0.34082   0.34093
     Eigenvalues ---    0.34140   0.34165   0.34178   0.34192   0.34210
     Eigenvalues ---    0.34221   0.34305   0.34306   0.34395   0.34664
     Eigenvalues ---    0.35331   0.35740   0.35783   0.36190   0.36236
     Eigenvalues ---    0.36343   0.36510   0.36553   0.37589   0.39091
     Eigenvalues ---    0.39345   0.39709   0.42277   0.42632   0.42809
     Eigenvalues ---    0.45271   0.45349   0.45415   0.45514   0.45583
     Eigenvalues ---    0.45606   0.45650   0.46347   0.48918   0.49108
     Eigenvalues ---    0.49287   0.49658   0.49951   0.52609   0.54465
     Eigenvalues ---    0.54867   0.55088   0.56466   0.65123   0.73019
     Eigenvalues ---    0.765081000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    57   56   55   54   53
 RFO step:  Lambda=-7.33264362D-09.
 DidBck=F Rises=F RFO-DIIS coefs:    1.44592   -0.30481   -0.33663    0.16592    0.02960
 Iteration  1 RMS(Cart)=  0.00040872 RMS(Int)=  0.00000010
 Iteration  2 RMS(Cart)=  0.00000017 RMS(Int)=  0.00000003
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00000   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00000   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00000   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00000   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93040  -0.00001  -0.00001   0.00000  -0.00001   2.93040
    R2        2.07161   0.00000   0.00000   0.00000   0.00000   2.07161
    R3        2.07041   0.00000  -0.00001   0.00001   0.00000   2.07041
    R4        2.07665   0.00000  -0.00001   0.00001   0.00000   2.07665
    R5        2.84166   0.00000   0.00000   0.00000   0.00001   2.84167
    R6        2.06973   0.00000  -0.00001   0.00001   0.00000   2.06973
    R7        2.07970   0.00000  -0.00001   0.00000   0.00000   2.07970
    R8        2.62093   0.00000   0.00001  -0.00001   0.00000   2.62093
    R9        2.65391   0.00001   0.00001   0.00001   0.00002   2.65393
   R10        2.65849   0.00001   0.00000   0.00001   0.00002   2.65850
   R11        2.04227   0.00000   0.00000   0.00000   0.00000   2.04226
   R12        2.59522  -0.00001  -0.00001  -0.00001  -0.00002   2.59520
   R13        1.91172   0.00000   0.00000   0.00000   0.00000   1.91172
   R14        2.53419   0.00000   0.00000   0.00000   0.00000   2.53419
   R15        2.03609   0.00000   0.00000   0.00000   0.00000   2.03609
   R16        4.14939   0.00000   0.00006   0.00009   0.00014   4.14953
   R17        2.91869   0.00000   0.00000   0.00001   0.00001   2.91870
   R18        2.07378   0.00000   0.00000   0.00000   0.00000   2.07378
   R19        2.07761   0.00000   0.00000   0.00000   0.00000   2.07761
   R20        2.07574   0.00000  -0.00001   0.00000  -0.00001   2.07573
   R21        2.92632   0.00000  -0.00001   0.00000  -0.00001   2.92631
   R22        2.07738   0.00000   0.00000   0.00000   0.00000   2.07738
   R23        2.07291   0.00000   0.00000   0.00000   0.00000   2.07291
   R24        2.88491   0.00000  -0.00002   0.00000  -0.00002   2.88489
   R25        2.07123   0.00000  -0.00001   0.00000  -0.00001   2.07123
   R26        2.07740   0.00000   0.00000   0.00000   0.00000   2.07741
   R27        2.41155   0.00000  -0.00002   0.00002   0.00000   2.41156
   R28        2.52443   0.00001   0.00003  -0.00002   0.00001   2.52444
   R29        4.04879  -0.00001  -0.00033  -0.00073  -0.00106   4.04773
   R30        2.59202  -0.00002  -0.00021   0.00021   0.00000   2.59202
   R31        2.91602   0.00000  -0.00001   0.00000   0.00000   2.91601
   R32        2.07173   0.00000   0.00000   0.00000   0.00000   2.07173
   R33        2.07039   0.00000   0.00000   0.00000   0.00000   2.07039
   R34        2.07363   0.00000   0.00000   0.00000   0.00000   2.07362
   R35        2.84637   0.00000   0.00001   0.00000   0.00000   2.84638
   R36        2.07942   0.00000   0.00000   0.00000   0.00000   2.07942
   R37        2.08023   0.00000   0.00000   0.00000   0.00000   2.08022
   R38        2.62019   0.00000  -0.00001   0.00000  -0.00001   2.62018
   R39        2.65641   0.00000   0.00003   0.00000   0.00003   2.65644
   R40        2.65625   0.00000   0.00002   0.00000   0.00001   2.65626
   R41        2.03514   0.00000   0.00000   0.00000   0.00000   2.03514
   R42        2.59512   0.00000  -0.00001   0.00000  -0.00001   2.59511
   R43        1.91279   0.00000   0.00000   0.00000   0.00000   1.91279
   R44        2.53225   0.00000  -0.00001   0.00000  -0.00001   2.53224
   R45        2.03595   0.00000   0.00000   0.00000   0.00000   2.03595
   R46        4.06577   0.00000   0.00000  -0.00004  -0.00004   4.06573
   R47        2.91821   0.00000   0.00000   0.00000   0.00000   2.91820
   R48        2.07258   0.00000   0.00000   0.00000   0.00000   2.07258
   R49        2.07234   0.00000   0.00000   0.00000   0.00000   2.07234
   R50        2.07054   0.00000   0.00000   0.00000   0.00000   2.07054
   R51        2.84444   0.00000   0.00000  -0.00001  -0.00001   2.84443
   R52        2.07853   0.00000   0.00000   0.00000   0.00000   2.07854
   R53        2.07871   0.00000   0.00000   0.00000   0.00000   2.07871
   R54        2.62227   0.00000   0.00000   0.00000   0.00000   2.62227
   R55        2.65345   0.00000   0.00000   0.00000  -0.00001   2.65344
   R56        2.64856   0.00000   0.00001  -0.00001   0.00000   2.64856
   R57        2.03590   0.00000   0.00000   0.00000   0.00000   2.03590
   R58        2.60141   0.00000   0.00000   0.00000   0.00000   2.60141
   R59        1.91293   0.00000   0.00000   0.00000   0.00000   1.91293
   R60        2.52695   0.00000   0.00000   0.00000   0.00000   2.52695
   R61        2.03644   0.00000   0.00000   0.00000   0.00000   2.03644
   R62        4.04404   0.00000   0.00012   0.00001   0.00013   4.04416
   R63        3.83672   0.00000  -0.00007   0.00004  -0.00003   3.83669
   R64        4.49821   0.00000   0.00002  -0.00024  -0.00022   4.49799
   R65        4.34126  -0.00001  -0.00028  -0.00010  -0.00038   4.34088
   R66        1.86106   0.00000   0.00002   0.00002   0.00004   1.86110
   R67        2.07526   0.00001   0.00010  -0.00009   0.00001   2.07526
   R68        2.39622   0.00000  -0.00001   0.00000  -0.00001   2.39621
   R69        2.58343   0.00000   0.00002  -0.00001   0.00001   2.58344
   R70        2.86868   0.00000  -0.00001   0.00001  -0.00001   2.86867
   R71        2.76851   0.00000   0.00000   0.00001   0.00001   2.76852
   R72        1.91410   0.00000   0.00000   0.00000   0.00000   1.91409
   R73        2.90215   0.00000  -0.00002   0.00000  -0.00002   2.90213
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   R76        2.41242   0.00001   0.00002   0.00001   0.00003   2.41245
   R77        2.55035   0.00000  -0.00001  -0.00001  -0.00001   2.55034
   R78        1.91790   0.00000   0.00000   0.00000   0.00001   1.91791
   R79        2.78917   0.00000   0.00001   0.00000   0.00001   2.78918
   R80        2.06897   0.00000   0.00000   0.00000   0.00000   2.06897
   R81        2.06330   0.00000   0.00000   0.00000  -0.00001   2.06329
   R82        2.07185   0.00000  -0.00001   0.00000   0.00000   2.07184
   R83        2.07205   0.00000   0.00000   0.00000   0.00000   2.07205
   R84        2.06855   0.00000   0.00000   0.00000   0.00000   2.06855
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    A5        1.87349   0.00000   0.00001  -0.00001   0.00000   1.87349
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    A7        1.98680   0.00000   0.00002  -0.00001   0.00002   1.98682
    A8        1.90945   0.00000   0.00000   0.00000   0.00001   1.90945
    A9        1.90653   0.00000  -0.00001   0.00000  -0.00001   1.90652
   A10        1.88008   0.00000   0.00001   0.00001   0.00002   1.88009
   A11        1.91971   0.00000  -0.00002   0.00000  -0.00002   1.91969
   A12        1.85664   0.00000  -0.00001   0.00000  -0.00001   1.85663
   A13        2.30417   0.00000   0.00004   0.00000   0.00004   2.30421
   A14        2.14709   0.00000  -0.00003   0.00001  -0.00003   2.14707
   A15        1.83192   0.00000  -0.00001  -0.00001  -0.00002   1.83190
   A16        1.91606   0.00000   0.00001   0.00000   0.00001   1.91607
   A17        2.24268   0.00000   0.00000   0.00000   0.00000   2.24268
   A18        2.12435   0.00000  -0.00001   0.00000  -0.00001   2.12435
   A19        1.89592   0.00000   0.00000   0.00002   0.00001   1.89594
   A20        2.19111   0.00000  -0.00001   0.00000  -0.00001   2.19109
   A21        2.19608   0.00000   0.00001  -0.00001   0.00000   2.19608
   A22        1.92284   0.00000   0.00001  -0.00001   0.00000   1.92284
   A23        2.16197   0.00000   0.00000   0.00001   0.00001   2.16198
   A24        2.19836   0.00000  -0.00002   0.00000  -0.00001   2.19835
   A25        1.85803   0.00000  -0.00001   0.00001  -0.00001   1.85803
   A26        2.21856   0.00001   0.00002   0.00001   0.00003   2.21860
   A27        2.20608  -0.00001   0.00000  -0.00002  -0.00003   2.20605
   A28        1.93545   0.00000  -0.00002   0.00000  -0.00002   1.93544
   A29        1.93456   0.00000   0.00000   0.00000   0.00000   1.93457
   A30        1.93430   0.00000   0.00002   0.00000   0.00002   1.93432
   A31        1.88936   0.00000  -0.00001   0.00000  -0.00002   1.88935
   A32        1.88568   0.00000   0.00000   0.00000   0.00000   1.88568
   A33        1.88262   0.00000   0.00001  -0.00001   0.00001   1.88262
   A34        1.97084   0.00000  -0.00003   0.00001  -0.00001   1.97083
   A35        1.91264   0.00000   0.00002   0.00001   0.00003   1.91267
   A36        1.91135   0.00000   0.00000  -0.00001  -0.00001   1.91134
   A37        1.90078   0.00000   0.00000  -0.00001  -0.00001   1.90077
   A38        1.89038   0.00000   0.00002  -0.00001   0.00001   1.89040
   A39        1.87534   0.00000  -0.00001   0.00000  -0.00002   1.87532
   A40        1.94270   0.00000   0.00001  -0.00001   0.00000   1.94270
   A41        1.94112   0.00000   0.00000   0.00001   0.00001   1.94113
   A42        1.90396   0.00000   0.00000   0.00000   0.00001   1.90397
   A43        1.90290   0.00000  -0.00003  -0.00001  -0.00004   1.90286
   A44        1.88765   0.00000   0.00001   0.00001   0.00002   1.88767
   A45        1.88382   0.00000   0.00000   0.00000   0.00000   1.88382
   A46        2.10389   0.00000   0.00006  -0.00003   0.00003   2.10393
   A47        2.04154   0.00000  -0.00004   0.00003  -0.00001   2.04153
   A48        2.13716   0.00000  -0.00002   0.00000  -0.00002   2.13713
   A49        1.81912   0.00001   0.00002   0.00008   0.00009   1.81921
   A50        1.83803  -0.00001   0.00001  -0.00009  -0.00008   1.83795
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   A59        1.90729   0.00000   0.00002   0.00001   0.00003   1.90732
   A60        1.90425   0.00000   0.00001   0.00000   0.00001   1.90426
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   A68        2.11828   0.00000  -0.00002  -0.00001  -0.00003   2.11824
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   A107       1.68366  -0.00001  -0.00006  -0.00010  -0.00016   1.68350
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   A112       1.48617   0.00001   0.00000   0.00004   0.00004   1.48621
   A113       2.89577   0.00001   0.00003   0.00008   0.00012   2.89589
   A114       2.90568   0.00000   0.00004   0.00009   0.00013   2.90581
   A115       1.44993   0.00000   0.00004   0.00006   0.00010   1.45003
   A116       1.48806   0.00000  -0.00006   0.00001  -0.00005   1.48801
   A117       1.57853   0.00000   0.00002   0.00010   0.00012   1.57865
   A118       1.43266   0.00001   0.00008   0.00003   0.00011   1.43278
   A119       1.43005   0.00000  -0.00001   0.00005   0.00004   1.43009
   A120       2.11123   0.00000   0.00002   0.00009   0.00011   2.11134
   A121       2.17430   0.00000   0.00007  -0.00002   0.00006   2.17436
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   A123       2.09447  -0.00001   0.00010   0.00018   0.00028   2.09474
   A124       2.89606   0.00001  -0.00003  -0.00013  -0.00015   2.89590
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   D35        0.02803   0.00000  -0.00009   0.00002  -0.00007   0.02797
   D36        1.95211   0.00000   0.00003   0.00024   0.00027   1.95238
   D37       -2.60701   0.00000  -0.00001   0.00024   0.00023  -2.60678
   D38        0.32152   0.00000   0.00000   0.00027   0.00027   0.32179
   D39       -2.32650   0.00000   0.00010   0.00005   0.00016  -2.32634
   D40       -1.12030   0.00000  -0.00008   0.00025   0.00017  -1.12013
   D41       -1.22862   0.00000   0.00008   0.00022   0.00030  -1.22832
   D42        0.49545   0.00000   0.00003   0.00023   0.00026   0.49571
   D43       -2.85920   0.00000   0.00005   0.00026   0.00031  -2.85890
   D44        0.77596   0.00000   0.00015   0.00004   0.00019   0.77615
   D45        1.98216   0.00000  -0.00003   0.00024   0.00020   1.98237
   D46        1.06380   0.00000   0.00001  -0.00003  -0.00002   1.06378
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   D48       -1.04419   0.00000   0.00000  -0.00002  -0.00002  -1.04422
   D49       -1.03528   0.00000   0.00004  -0.00003   0.00001  -1.03527
   D50        1.08690   0.00000   0.00003  -0.00002   0.00001   1.08691
   D51        3.13991   0.00000   0.00003  -0.00002   0.00001   3.13992
   D52       -3.12511   0.00000   0.00001  -0.00002  -0.00002  -3.12513
   D53       -1.00293   0.00000   0.00000  -0.00001  -0.00001  -1.00295
   D54        1.05008   0.00000   0.00000  -0.00002  -0.00002   1.05006
   D55       -1.08417   0.00000   0.00004   0.00005   0.00009  -1.08408
   D56        1.04150   0.00000   0.00001   0.00004   0.00005   1.04155
   D57        3.11741   0.00000   0.00001   0.00004   0.00006   3.11747
   D58        3.07016   0.00000   0.00003   0.00003   0.00007   3.07022
   D59       -1.08736   0.00000   0.00000   0.00002   0.00002  -1.08733
   D60        0.98856   0.00000   0.00001   0.00003   0.00003   0.98859
   D61        1.03573   0.00000   0.00003   0.00005   0.00008   1.03581
   D62       -3.12179   0.00000   0.00000   0.00004   0.00004  -3.12175
   D63       -1.04588   0.00000   0.00001   0.00004   0.00005  -1.04583
   D64       -0.86911   0.00000   0.00002   0.00000   0.00002  -0.86910
   D65        2.23621   0.00000   0.00000   0.00011   0.00011   2.23632
   D66       -3.01683   0.00000   0.00003   0.00000   0.00003  -3.01680
   D67        0.08849   0.00000   0.00001   0.00011   0.00013   0.08861
   D68        1.22219   0.00000   0.00004   0.00000   0.00004   1.22223
   D69       -1.95567   0.00000   0.00002   0.00011   0.00013  -1.95554
   D70        2.98711   0.00000   0.00008  -0.00002   0.00006   2.98717
   D71       -0.11617   0.00000   0.00010  -0.00014  -0.00004  -0.11621
   D72       -2.99672   0.00000  -0.00001  -0.00004  -0.00005  -2.99677
   D73        0.10785   0.00000  -0.00003   0.00008   0.00004   0.10790
   D74        0.00251   0.00000  -0.00015   0.00017   0.00001   0.00253
   D75        0.21964   0.00000  -0.00029  -0.00007  -0.00036   0.21928
   D76       -1.04715   0.00000  -0.00005  -0.00001  -0.00005  -1.04721
   D77        1.07519   0.00000  -0.00004  -0.00001  -0.00006   1.07514
   D78        3.09826   0.00000  -0.00003  -0.00001  -0.00005   3.09822
   D79       -3.13559   0.00000  -0.00002   0.00000  -0.00002  -3.13561
   D80       -1.01324   0.00000  -0.00002   0.00000  -0.00003  -1.01327
   D81        1.00983   0.00000  -0.00001  -0.00001  -0.00002   1.00981
   D82        1.06184   0.00000  -0.00004  -0.00001  -0.00005   1.06179
   D83       -3.09900   0.00000  -0.00004  -0.00001  -0.00005  -3.09905
   D84       -1.07593   0.00000  -0.00003  -0.00002  -0.00004  -1.07597
   D85       -0.08691   0.00000   0.00045   0.00014   0.00060  -0.08632
   D86        3.03284   0.00000   0.00049   0.00011   0.00060   3.03344
   D87       -2.20764   0.00000   0.00046   0.00015   0.00062  -2.20703
   D88        0.91211   0.00000   0.00050   0.00012   0.00062   0.91273
   D89        2.04772   0.00000   0.00046   0.00016   0.00062   2.04834
   D90       -1.11572   0.00000   0.00050   0.00012   0.00062  -1.11510
   D91        3.11808   0.00000   0.00005  -0.00005   0.00000   3.11807
   D92        0.01543   0.00000   0.00006  -0.00003   0.00002   0.01545
   D93       -0.00445   0.00000   0.00002  -0.00002  -0.00001  -0.00446
   D94       -3.10711   0.00000   0.00003   0.00000   0.00002  -3.10709
   D95       -3.11841   0.00000  -0.00003   0.00004   0.00000  -3.11840
   D96       -0.00777   0.00000  -0.00002  -0.00001  -0.00003  -0.00780
   D97        0.00667   0.00000  -0.00001   0.00001   0.00001   0.00667
   D98        3.11730   0.00000   0.00001  -0.00003  -0.00003   3.11728
   D99        0.00061   0.00000  -0.00002   0.00002   0.00000   0.00061
   D100      -2.91138   0.00000   0.00000   0.00004   0.00004  -2.91134
   D101       3.10661   0.00000  -0.00003   0.00001  -0.00002   3.10659
   D102       0.19462   0.00000   0.00000   0.00002   0.00001   0.19464
   D103      -0.00664   0.00000  -0.00001   0.00000   0.00000  -0.00665
   D104       3.09509   0.00000  -0.00007  -0.00001  -0.00008   3.09501
   D105      -3.11719   0.00000  -0.00002   0.00005   0.00003  -3.11717
   D106      -0.01546   0.00000  -0.00008   0.00004  -0.00005  -0.01551
   D107       0.00370   0.00000   0.00002  -0.00002   0.00000   0.00370
   D108       2.91625   0.00000  -0.00003  -0.00003  -0.00006   2.91619
   D109      -3.09826   0.00000   0.00008   0.00000   0.00007  -3.09818
   D110      -0.18570   0.00000   0.00003  -0.00002   0.00001  -0.18569
   D111      -0.47449   0.00000  -0.00039  -0.00008  -0.00048  -0.47496
   D112      -2.05676   0.00000  -0.00039  -0.00002  -0.00041  -2.05717
   D113       1.21665   0.00000  -0.00045  -0.00019  -0.00064   1.21601
   D114       2.79159   0.00000  -0.00044  -0.00009  -0.00052   2.79106
   D115       2.38033   0.00000   0.00003  -0.00023  -0.00020   2.38013
   D116       2.93941   0.00000  -0.00035  -0.00007  -0.00042   2.93899
   D117       1.35713   0.00000  -0.00035   0.00000  -0.00035   1.35678
   D118      -1.65264   0.00000  -0.00041  -0.00017  -0.00058  -1.65323
   D119      -0.07771   0.00000  -0.00040  -0.00007  -0.00046  -0.07817
   D120      -0.48896   0.00000   0.00007  -0.00021  -0.00014  -0.48910
   D121      -1.05695   0.00000  -0.00003  -0.00001  -0.00004  -1.05700
   D122       3.10077   0.00000  -0.00003   0.00000  -0.00003   3.10074
   D123       1.07661   0.00000  -0.00003  -0.00001  -0.00004   1.07658
   D124       1.05156   0.00000  -0.00003  -0.00001  -0.00004   1.05152
   D125      -1.07390   0.00000  -0.00003   0.00000  -0.00003  -1.07393
   D126      -3.09806   0.00000  -0.00003  -0.00001  -0.00003  -3.09809
   D127      -3.13883   0.00000  -0.00002  -0.00001  -0.00003  -3.13887
   D128       1.01889   0.00000  -0.00002   0.00000  -0.00003   1.01886
   D129      -1.00527   0.00000  -0.00002  -0.00001  -0.00003  -1.00530
   D130       0.37099   0.00000  -0.00039  -0.00030  -0.00069   0.37030
   D131      -2.76261   0.00000  -0.00034  -0.00027  -0.00060  -2.76321
   D132       2.49393   0.00000  -0.00039  -0.00031  -0.00070   2.49323
   D133      -0.63967   0.00000  -0.00034  -0.00027  -0.00061  -0.64028
   D134      -1.75503   0.00000  -0.00039  -0.00030  -0.00069  -1.75572
   D135       1.39455   0.00000  -0.00034  -0.00027  -0.00060   1.39395
   D136      -3.12725   0.00000   0.00003   0.00002   0.00005  -3.12720
   D137       0.01214   0.00000   0.00008   0.00001   0.00008   0.01223
   D138       0.00745   0.00000  -0.00002  -0.00001  -0.00003   0.00742
   D139      -3.13634   0.00000   0.00003  -0.00002   0.00001  -3.13633
   D140       3.12801   0.00000  -0.00003   0.00000  -0.00003   3.12798
   D141       0.00269   0.00000  -0.00009  -0.00004  -0.00012   0.00257
   D142      -0.00744   0.00000   0.00001   0.00003   0.00004  -0.00739
   D143      -3.13275   0.00000  -0.00005  -0.00001  -0.00006  -3.13281
   D144      -0.00476   0.00000   0.00001  -0.00001   0.00000  -0.00476
   D145       2.95903   0.00000  -0.00021   0.00001  -0.00020   2.95883
   D146       3.13883   0.00000  -0.00003   0.00000  -0.00003   3.13880
   D147      -0.18056   0.00000  -0.00025   0.00002  -0.00023  -0.18079
   D148       0.00482   0.00000   0.00000  -0.00004  -0.00004   0.00478
   D149      -3.11288   0.00000  -0.00001   0.00001   0.00000  -3.11288
   D150       3.13011   0.00000   0.00006   0.00000   0.00006   3.13017
   D151       0.01241   0.00000   0.00005   0.00004   0.00009   0.01251
   D152      -0.00009   0.00000  -0.00001   0.00003   0.00002  -0.00007
   D153      -2.96661   0.00000   0.00021   0.00001   0.00022  -2.96639
   D154       3.11779   0.00000   0.00000  -0.00001  -0.00001   3.11778
   D155       0.15127   0.00000   0.00022  -0.00003   0.00018   0.15146
   D156      -1.44387   0.00000   0.00009   0.00001   0.00010  -1.44377
   D157       0.27006  -0.00001   0.00008  -0.00007   0.00001   0.27007
   D158       2.81506   0.00000   0.00028   0.00055   0.00083   2.81589
   D159       1.73576   0.00000   0.00009  -0.00002   0.00007   1.73583
   D160      -3.10874   0.00000   0.00009   0.00002   0.00011  -3.10863
   D161       1.48822   0.00000  -0.00017   0.00003  -0.00014   1.48808
   D162      -3.08104  -0.00001  -0.00018  -0.00005  -0.00023  -3.08127
   D163      -0.53604   0.00000   0.00002   0.00057   0.00059  -0.53545
   D164      -1.61534   0.00000  -0.00017   0.00000  -0.00016  -1.61551
   D165      -0.17666   0.00000  -0.00017   0.00005  -0.00013  -0.17678
   D166       1.73205   0.00000   0.00002  -0.00031  -0.00029   1.73177
   D167      -0.59128   0.00000  -0.00001  -0.00034  -0.00035  -0.59163
   D168       0.01225   0.00001   0.00003  -0.00023  -0.00020   0.01204
   D169      -2.31109   0.00001   0.00000  -0.00026  -0.00027  -2.31136
   D170      -2.54008   0.00000  -0.00016  -0.00084  -0.00100  -2.54108
   D171       1.41977   0.00000  -0.00020  -0.00087  -0.00107   1.41870
   D172      -1.47418   0.00000   0.00003  -0.00028  -0.00025  -1.47443
   D173       2.48567   0.00000   0.00000  -0.00031  -0.00031   2.48536
   D174      -2.90178   0.00000   0.00004  -0.00031  -0.00027  -2.90205
   D175       1.05807   0.00000   0.00001  -0.00035  -0.00034   1.05774
   D176       1.01309   0.00000  -0.00020   0.00026   0.00006   1.01315
   D177       3.03183   0.00000  -0.00014   0.00007  -0.00006   3.03176
   D178       1.29570   0.00000  -0.00008   0.00007  -0.00002   1.29568
   D179      -1.63834   0.00000  -0.00010   0.00005  -0.00004  -1.63838
   D180      -0.20818   0.00000  -0.00002   0.00007   0.00005  -0.20812
   D181       2.09034   0.00000  -0.00015   0.00000  -0.00015   2.09019
   D182      -0.76623   0.00000  -0.00056   0.00014  -0.00042  -0.76665
   D183      -2.64039   0.00000  -0.00015  -0.00006  -0.00020  -2.64059
   D184       0.41812   0.00000  -0.00009   0.00009   0.00000   0.41812
   D185      -1.18026   0.00000  -0.00010   0.00000  -0.00010  -1.18036
   D186      -2.38749   0.00000   0.00000  -0.00010  -0.00011  -2.38759
   D187       0.09523   0.00000   0.00007  -0.00008  -0.00001   0.09521
   D188       2.12102   0.00000   0.00029   0.00019   0.00048   2.12150
   D189      -0.32918   0.00000   0.00024   0.00011   0.00036  -0.32882
   D190       0.90258   0.00000   0.00009  -0.00011  -0.00001   0.90257
   D191      -2.25819   0.00000   0.00014  -0.00016  -0.00002  -2.25821
   D192       0.07751   0.00000  -0.00006   0.00005  -0.00001   0.07750
   D193      -3.09115   0.00000  -0.00012  -0.00003  -0.00015  -3.09130
   D194      -3.04570   0.00000  -0.00011   0.00010  -0.00001  -3.04571
   D195       0.06882   0.00000  -0.00017   0.00001  -0.00015   0.06867
   D196      -1.15048   0.00000  -0.00005   0.00005   0.00000  -1.15048
   D197       0.89505   0.00000  -0.00004   0.00005   0.00000   0.89505
   D198       3.02189   0.00000  -0.00006   0.00004  -0.00002   3.02186
   D199       1.97292   0.00000  -0.00001   0.00000  -0.00001   1.97291
   D200      -2.26474   0.00000   0.00000   0.00000   0.00000  -2.26474
   D201      -0.13790   0.00000  -0.00002  -0.00001  -0.00003  -0.13793
   D202      -1.44482   0.00000   0.00003   0.00002   0.00005  -1.44476
   D203       0.57583   0.00000   0.00005   0.00002   0.00007   0.57591
   D204       2.65460   0.00000   0.00006   0.00002   0.00007   2.65467
   D205       1.72379   0.00000   0.00009   0.00011   0.00020   1.72399
   D206      -2.53874   0.00000   0.00011   0.00010   0.00022  -2.53852
   D207      -0.45997   0.00000   0.00012   0.00010   0.00022  -0.45976
   D208       0.69908   0.00000  -0.00005   0.00000  -0.00005   0.69903
   D209      -2.51068   0.00000  -0.00004   0.00007   0.00003  -2.51065
   D210      -1.36977   0.00000  -0.00006   0.00000  -0.00006  -1.36984
   D211       1.70365   0.00000  -0.00004   0.00007   0.00002   1.70367
   D212       2.85747   0.00000  -0.00008   0.00001  -0.00007   2.85740
   D213      -0.35229   0.00000  -0.00006   0.00008   0.00002  -0.35227
   D214       1.00563   0.00000   0.00015  -0.00006   0.00009   1.00573
   D215      -2.06293   0.00000   0.00013  -0.00014   0.00000  -2.06294
   D216       0.00081   0.00000  -0.00016  -0.00005  -0.00022   0.00059
   D217      -2.92210   0.00000  -0.00001  -0.00003  -0.00003  -2.92213
   D218       3.07199   0.00000  -0.00015   0.00002  -0.00013   3.07186
   D219       0.14907   0.00000   0.00001   0.00005   0.00006   0.14913
   D220      -2.44803   0.00000   0.00014  -0.00013   0.00001  -2.44802
   D221      -0.36045   0.00000   0.00014  -0.00012   0.00001  -0.36044
   D222       1.71805   0.00000   0.00014  -0.00011   0.00004   1.71808
   D223       0.90946   0.00000   0.00029  -0.00010   0.00019   0.90965
   D224       2.99703   0.00000   0.00029  -0.00009   0.00020   2.99723
   D225      -1.20765   0.00000   0.00030  -0.00008   0.00022  -1.20743
         Item               Value     Threshold  Converged?
 Maximum Force            0.000018     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.003163     0.001800     NO 
 RMS     Displacement     0.000409     0.001200     YES
 Predicted change in Energy=-2.153067D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.071740    2.539745    3.559588
      2          6           0       -3.329820    1.181294    3.653563
      3          6           0       -2.082256    1.111072    2.816957
      4          6           0       -1.696722    0.256589    1.794797
      5          7           0       -1.006704    2.000961    2.970643
      6          6           0       -0.029302    1.668369    2.065063
      7          7           0       -0.415730    0.612187    1.334632
      8          6           0       -5.230297    0.898692    0.146717
      9          6           0       -5.867292   -0.172479   -0.765611
     10          6           0       -5.239721   -1.575577   -0.577368
     11          6           0       -3.757474   -1.573880   -0.942755
     12          8           0       -3.362955   -1.076600   -2.049823
     13          8           0       -2.909965   -2.072356   -0.038421
     14          6           0       -2.267457    4.238056   -2.982931
     15          6           0       -0.994462    3.840821   -3.759337
     16          6           0       -0.192917    2.764251   -3.075763
     17          6           0       -0.321096    2.122755   -1.853249
     18          7           0        0.931180    2.168068   -3.673288
     19          6           0        1.430070    1.208063   -2.827487
     20          7           0        0.691601    1.158467   -1.710430
     21          6           0        4.685895    4.003374    1.488445
     22          6           0        5.161046    2.624895    1.997097
     23          6           0        4.192579    1.525571    1.651822
     24          6           0        3.202817    1.432655    0.683683
     25          7           0        4.134639    0.301547    2.337403
     26          6           0        3.135443   -0.469342    1.787512
     27          7           0        2.554484    0.193978    0.782222
     28         30           0        0.759374   -0.394763   -0.223216
     29          1           0       -4.985345    2.515302    4.164973
     30          1           0       -4.353593    2.760152    2.524045
     31          1           0       -3.455021    3.370168    3.930633
     32          1           0       -3.997823    0.378307    3.324063
     33          1           0       -3.088825    0.971884    4.706765
     34          1           0       -2.248612   -0.564894    1.360590
     35          1           0       -0.966522    2.766403    3.630870
     36          1           0        0.908463    2.191151    1.974518
     37          1           0       -4.160179    1.010514   -0.069215
     38          1           0       -5.341184    0.626380    1.206095
     39          1           0       -5.711263    1.874895   -0.002427
     40          1           0       -6.946022   -0.234705   -0.563289
     41          1           0       -5.745973    0.121296   -1.815493
     42          1           0       -5.352795   -1.925433    0.455169
     43          1           0       -5.753885   -2.290608   -1.235291
     44          1           0       -2.936717    3.378743   -2.858123
     45          1           0       -2.813205    5.017261   -3.526385
     46          1           0       -2.020908    4.632066   -1.988915
     47          1           0       -1.282120    3.493291   -4.762991
     48          1           0       -0.365558    4.732193   -3.906682
     49          1           0       -1.074402    2.260899   -1.096105
     50          1           0        1.294799    2.391383   -4.591149
     51          1           0        2.265092    0.562129   -3.042549
     52          1           0        4.579339    4.009592    0.396891
     53          1           0        3.720317    4.277397    1.930240
     54          1           0        5.413681    4.778272    1.753734
     55          1           0        5.297208    2.666746    3.087749
     56          1           0        6.150042    2.402468    1.569982
     57          1           0        2.915370    2.155858   -0.061324
     58          1           0        4.721995    0.036693    3.118153
     59          1           0        2.844580   -1.449999    2.126652
     60          8           0       -0.792299   -1.393446   -1.069984
     61          1           0       -1.227334   -1.055608   -1.886406
     62          1           0       -1.657725   -1.783910   -0.518097
     63          6           0        2.982843   -2.517710   -1.579912
     64          8           0        2.282701   -1.467848   -1.704255
     65          7           0        2.440572   -3.710507   -1.189862
     66          6           0        1.003645   -3.900080   -0.976226
     67          6           0        0.525312   -3.440394    0.408832
     68          8           0        0.989495   -2.369893    0.926806
     69          7           0       -0.448648   -4.177873    0.982330
     70          1           0        0.450225   -3.264211   -1.679180
     71          1           0        0.750756   -4.948960   -1.163962
     72          1           0        3.055810   -4.505368   -1.064820
     73          1           0       -0.803947   -4.981725    0.474755
     74          6           0       -1.213747   -3.747677    2.168938
     75          1           0       -1.371595   -4.601680    2.835618
     76          1           0       -0.641611   -2.978438    2.691493
     77          1           0       -2.173751   -3.328768    1.844991
     78          6           0        4.470037   -2.510576   -1.884272
     79          1           0        4.616498   -2.327216   -2.955345
     80          1           0        4.942809   -1.686081   -1.341215
     81          1           0        4.969838   -3.448510   -1.621276
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968762      0.0727449      0.0660103
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.7289580123 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122068.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000040    0.000000    0.000005 Ang=   0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97582123     A.U. after    7 cycles
            NFock=  7  Conv=0.47D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33677 LenP2D=  122068.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000000974    0.000003008    0.000001920
      3        6          -0.000003903    0.000002947    0.000001369
      4        6           0.000006424   -0.000005796    0.000002854
      5        7          -0.000000313   -0.000002108    0.000000884
      6        6           0.000000242   -0.000003057   -0.000002102
      7        7           0.000004358    0.000008065   -0.000003474
      8        6           0.000000000    0.000000000    0.000000000
      9        6          -0.000000388   -0.000001270    0.000001865
     10        6          -0.000000227   -0.000000949   -0.000001721
     11        6           0.000000093    0.000007199    0.000000081
     12        8          -0.000009609   -0.000002322    0.000002223
     13        8          -0.000012630   -0.000007874   -0.000000425
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000000293   -0.000000385    0.000002251
     16        6          -0.000003510   -0.000003845   -0.000001334
     17        6           0.000002013    0.000002064   -0.000003011
     18        7           0.000001608    0.000000312    0.000004047
     19        6          -0.000003969    0.000001579   -0.000001160
     20        7           0.000006464   -0.000001325    0.000011826
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000000348    0.000000716   -0.000000524
     23        6           0.000001643    0.000000730    0.000002289
     24        6          -0.000002704    0.000001844   -0.000001870
     25        7          -0.000002000   -0.000001459   -0.000002940
     26        6          -0.000000135    0.000002479   -0.000000225
     27        7           0.000005943   -0.000007142    0.000003185
     28       30          -0.000014245    0.000007780   -0.000015113
     29        1          -0.000000918   -0.000001235   -0.000000539
     30        1          -0.000001107    0.000000884    0.000001464
     31        1           0.000000827    0.000001316   -0.000000234
     32        1          -0.000000815   -0.000003156    0.000000186
     33        1           0.000002379   -0.000000538   -0.000002741
     34        1           0.000000697    0.000000869   -0.000001397
     35        1           0.000000263   -0.000001135   -0.000000904
     36        1           0.000000138   -0.000000153   -0.000000378
     37        1           0.000000137    0.000000030    0.000000892
     38        1           0.000000437   -0.000000309   -0.000000538
     39        1           0.000000625   -0.000000159    0.000000142
     40        1           0.000000090    0.000000242   -0.000000128
     41        1          -0.000000155    0.000000102   -0.000000802
     42        1           0.000000389    0.000000482    0.000000272
     43        1           0.000000017   -0.000001380    0.000000035
     44        1          -0.000000139    0.000000202   -0.000000522
     45        1           0.000000043    0.000000064   -0.000000158
     46        1           0.000000443    0.000000406   -0.000000676
     47        1           0.000001005    0.000000641   -0.000000193
     48        1           0.000000216    0.000000367   -0.000001901
     49        1          -0.000000999   -0.000000230    0.000000436
     50        1           0.000000622    0.000001365   -0.000000849
     51        1          -0.000000497   -0.000001076    0.000000690
     52        1          -0.000000048    0.000000191    0.000000390
     53        1           0.000000913   -0.000000202    0.000000529
     54        1           0.000000586    0.000000564   -0.000000146
     55        1           0.000000243   -0.000000426    0.000000000
     56        1          -0.000000132    0.000000406    0.000000297
     57        1           0.000001122   -0.000000071    0.000001042
     58        1          -0.000000410    0.000000227   -0.000000637
     59        1           0.000001307   -0.000000176    0.000001668
     60        8          -0.000000277    0.000001489   -0.000002240
     61        1           0.000007029   -0.000001014   -0.000001164
     62        1           0.000019118    0.000005349    0.000003917
     63        6           0.000006206    0.000010113   -0.000002213
     64        8          -0.000005325   -0.000007813    0.000002100
     65        7           0.000000260   -0.000004506    0.000002658
     66        6          -0.000000826    0.000000862   -0.000000209
     67        6           0.000004047    0.000000324    0.000000434
     68        8          -0.000002618   -0.000002235    0.000003215
     69        7           0.000002037   -0.000000696    0.000002303
     70        1           0.000000633   -0.000000124   -0.000000422
     71        1          -0.000000483    0.000000009   -0.000000053
     72        1           0.000000060   -0.000000314   -0.000000546
     73        1          -0.000002164    0.000001619    0.000001370
     74        6          -0.000003861   -0.000005771   -0.000000965
     75        1           0.000002824    0.000001738   -0.000001672
     76        1          -0.000001765    0.000001661    0.000000324
     77        1           0.000000771    0.000002961   -0.000001206
     78        6          -0.000003529   -0.000001300   -0.000001632
     79        1           0.000001481    0.000000061    0.000000490
     80        1          -0.000000582    0.000000302    0.000000246
     81        1           0.000000102   -0.000000489    0.000000179
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000019118 RMS     0.000003202

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000012605 RMS     0.000001757
 Search for a local minimum.
 Step number  58 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50   51   52   53   54
                                                     55   56   57   58
 DE= -1.46D-07 DEPred=-2.15D-08 R= 6.78D+00
 Trust test= 6.78D+00 RLast= 3.84D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00058   0.00078   0.00094   0.00167   0.00206
     Eigenvalues ---    0.00229   0.00231   0.00234   0.00237   0.00241
     Eigenvalues ---    0.00283   0.00359   0.00417   0.00523   0.00564
     Eigenvalues ---    0.00618   0.00699   0.00767   0.00842   0.00893
     Eigenvalues ---    0.00933   0.01153   0.01207   0.01249   0.01337
     Eigenvalues ---    0.01431   0.01591   0.01673   0.01766   0.01780
     Eigenvalues ---    0.01800   0.01855   0.01917   0.01926   0.02038
     Eigenvalues ---    0.02156   0.02236   0.02263   0.02275   0.02346
     Eigenvalues ---    0.02425   0.02503   0.02551   0.02809   0.02994
     Eigenvalues ---    0.03408   0.03456   0.03701   0.03800   0.04026
     Eigenvalues ---    0.04057   0.04122   0.04195   0.04286   0.04443
     Eigenvalues ---    0.04605   0.04775   0.04852   0.05041   0.05236
     Eigenvalues ---    0.05311   0.05335   0.05382   0.05388   0.05400
     Eigenvalues ---    0.05432   0.05458   0.05498   0.05509   0.05514
     Eigenvalues ---    0.05556   0.05581   0.05684   0.06206   0.06901
     Eigenvalues ---    0.07221   0.07477   0.07633   0.07696   0.08212
     Eigenvalues ---    0.08308   0.08420   0.09151   0.09311   0.09435
     Eigenvalues ---    0.09503   0.09632   0.09695   0.10129   0.10486
     Eigenvalues ---    0.10963   0.11406   0.12177   0.12369   0.12606
     Eigenvalues ---    0.12864   0.12963   0.13017   0.13389   0.14117
     Eigenvalues ---    0.14525   0.15507   0.15741   0.15841   0.15902
     Eigenvalues ---    0.15939   0.15974   0.15981   0.15990   0.15994
     Eigenvalues ---    0.15996   0.15999   0.16001   0.16003   0.16007
     Eigenvalues ---    0.16007   0.16008   0.16015   0.16022   0.16028
     Eigenvalues ---    0.16039   0.16047   0.16059   0.16068   0.16106
     Eigenvalues ---    0.16127   0.16194   0.16215   0.16274   0.16407
     Eigenvalues ---    0.16492   0.16701   0.18101   0.19730   0.20550
     Eigenvalues ---    0.21092   0.21438   0.22130   0.22362   0.22423
     Eigenvalues ---    0.22758   0.22920   0.23169   0.23413   0.23634
     Eigenvalues ---    0.23875   0.24065   0.24139   0.24522   0.24983
     Eigenvalues ---    0.25132   0.25521   0.26146   0.27484   0.27697
     Eigenvalues ---    0.28151   0.28235   0.28390   0.28770   0.30292
     Eigenvalues ---    0.30466   0.30704   0.31101   0.31547   0.31731
     Eigenvalues ---    0.31975   0.33556   0.33627   0.33647   0.33662
     Eigenvalues ---    0.33675   0.33781   0.33803   0.33857   0.33861
     Eigenvalues ---    0.33919   0.33930   0.33944   0.33984   0.34005
     Eigenvalues ---    0.34013   0.34038   0.34056   0.34081   0.34092
     Eigenvalues ---    0.34143   0.34164   0.34179   0.34183   0.34210
     Eigenvalues ---    0.34248   0.34305   0.34357   0.34372   0.34659
     Eigenvalues ---    0.35368   0.35753   0.35853   0.36205   0.36236
     Eigenvalues ---    0.36343   0.36466   0.36556   0.37397   0.39087
     Eigenvalues ---    0.39317   0.39788   0.42340   0.42603   0.42859
     Eigenvalues ---    0.45282   0.45353   0.45450   0.45555   0.45583
     Eigenvalues ---    0.45613   0.45670   0.46253   0.48766   0.49165
     Eigenvalues ---    0.49362   0.49744   0.49960   0.52649   0.54470
     Eigenvalues ---    0.54868   0.55091   0.56501   0.65179   0.73105
     Eigenvalues ---    0.764501000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    58   57   56   55   54
 RFO step:  Lambda=-3.75615883D-09.
 DidBck=F Rises=F RFO-DIIS coefs:    1.44789   -0.29116   -0.33956    0.16038    0.02244
 Iteration  1 RMS(Cart)=  0.00030510 RMS(Int)=  0.00000005
 Iteration  2 RMS(Cart)=  0.00000010 RMS(Int)=  0.00000002
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00000   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00000   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00000   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00000   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93040   0.00000  -0.00001  -0.00001  -0.00002   2.93038
    R2        2.07161   0.00000   0.00000   0.00000   0.00000   2.07161
    R3        2.07041   0.00000  -0.00001   0.00000  -0.00001   2.07040
    R4        2.07665   0.00000  -0.00001  -0.00001  -0.00001   2.07664
    R5        2.84167   0.00000   0.00000   0.00000   0.00000   2.84167
    R6        2.06973   0.00000  -0.00001  -0.00001  -0.00001   2.06972
    R7        2.07970   0.00000  -0.00001  -0.00001  -0.00002   2.07968
    R8        2.62093   0.00000   0.00000   0.00000   0.00000   2.62093
    R9        2.65393   0.00000   0.00001  -0.00001   0.00000   2.65393
   R10        2.65850   0.00000   0.00001  -0.00001   0.00000   2.65851
   R11        2.04226   0.00000   0.00000   0.00000   0.00000   2.04226
   R12        2.59520   0.00000  -0.00001   0.00000  -0.00001   2.59519
   R13        1.91172   0.00000   0.00000   0.00000   0.00000   1.91172
   R14        2.53419   0.00000   0.00001   0.00000   0.00000   2.53419
   R15        2.03609   0.00000   0.00000   0.00000   0.00000   2.03609
   R16        4.14953   0.00000   0.00006   0.00007   0.00013   4.14966
   R17        2.91870   0.00000   0.00000  -0.00001  -0.00001   2.91869
   R18        2.07378   0.00000   0.00000   0.00000   0.00000   2.07378
   R19        2.07761   0.00000   0.00000   0.00000   0.00000   2.07761
   R20        2.07573   0.00000   0.00000   0.00001   0.00000   2.07573
   R21        2.92631   0.00000   0.00000  -0.00001  -0.00001   2.92630
   R22        2.07738   0.00000   0.00000   0.00000   0.00000   2.07738
   R23        2.07291   0.00000   0.00000   0.00000   0.00000   2.07292
   R24        2.88489   0.00000  -0.00001   0.00001  -0.00001   2.88488
   R25        2.07123   0.00000   0.00000   0.00000   0.00000   2.07123
   R26        2.07741   0.00000   0.00000   0.00000   0.00000   2.07741
   R27        2.41156   0.00000   0.00000   0.00001   0.00001   2.41156
   R28        2.52444   0.00000   0.00001  -0.00001   0.00000   2.52444
   R29        4.04773  -0.00001  -0.00037  -0.00026  -0.00063   4.04710
   R30        2.59202  -0.00001  -0.00001   0.00009   0.00008   2.59210
   R31        2.91601   0.00000   0.00000   0.00000   0.00000   2.91601
   R32        2.07173   0.00000   0.00000   0.00000   0.00000   2.07173
   R33        2.07039   0.00000   0.00000   0.00000   0.00000   2.07039
   R34        2.07362   0.00000   0.00000   0.00000   0.00000   2.07362
   R35        2.84638   0.00000   0.00000   0.00000   0.00000   2.84638
   R36        2.07942   0.00000   0.00000   0.00000   0.00000   2.07943
   R37        2.08022   0.00000   0.00000   0.00000   0.00000   2.08022
   R38        2.62018   0.00000  -0.00001   0.00000  -0.00001   2.62017
   R39        2.65644   0.00000   0.00001  -0.00001   0.00001   2.65644
   R40        2.65626   0.00000   0.00001   0.00000   0.00001   2.65627
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   D42        0.49571   0.00000   0.00011   0.00014   0.00025   0.49596
   D43       -2.85890   0.00000   0.00011   0.00017   0.00028  -2.85861
   D44        0.77615   0.00000   0.00041  -0.00029   0.00012   0.77626
   D45        1.98237   0.00000   0.00005   0.00019   0.00024   1.98260
   D46        1.06378   0.00000  -0.00001  -0.00006  -0.00006   1.06372
   D47       -3.09722   0.00000  -0.00001  -0.00005  -0.00006  -3.09728
   D48       -1.04422   0.00000  -0.00001  -0.00005  -0.00006  -1.04428
   D49       -1.03527   0.00000   0.00001  -0.00007  -0.00006  -1.03533
   D50        1.08691   0.00000   0.00001  -0.00007  -0.00005   1.08686
   D51        3.13992   0.00000   0.00000  -0.00006  -0.00006   3.13986
   D52       -3.12513   0.00000  -0.00001  -0.00006  -0.00006  -3.12519
   D53       -1.00295   0.00000   0.00000  -0.00005  -0.00006  -1.00301
   D54        1.05006   0.00000  -0.00001  -0.00005  -0.00006   1.05000
   D55       -1.08408   0.00000   0.00001  -0.00005  -0.00004  -1.08412
   D56        1.04155   0.00000  -0.00001  -0.00003  -0.00004   1.04152
   D57        3.11747   0.00000   0.00000  -0.00004  -0.00004   3.11743
   D58        3.07022   0.00000   0.00000  -0.00005  -0.00005   3.07017
   D59       -1.08733   0.00000  -0.00002  -0.00002  -0.00004  -1.08738
   D60        0.98859   0.00000  -0.00002  -0.00003  -0.00005   0.98854
   D61        1.03581   0.00000   0.00001  -0.00005  -0.00004   1.03576
   D62       -3.12175   0.00000  -0.00001  -0.00003  -0.00003  -3.12179
   D63       -1.04583   0.00000   0.00000  -0.00004  -0.00004  -1.04587
   D64       -0.86910   0.00000  -0.00005   0.00013   0.00008  -0.86902
   D65        2.23632   0.00000  -0.00003   0.00009   0.00005   2.23637
   D66       -3.01680   0.00000  -0.00004   0.00011   0.00007  -3.01673
   D67        0.08861   0.00000  -0.00003   0.00007   0.00004   0.08865
   D68        1.22223   0.00000  -0.00005   0.00012   0.00007   1.22230
   D69       -1.95554   0.00000  -0.00003   0.00007   0.00004  -1.95550
   D70        2.98717   0.00000   0.00000  -0.00006  -0.00006   2.98711
   D71       -0.11621   0.00000  -0.00001  -0.00001  -0.00003  -0.11624
   D72       -2.99677   0.00000   0.00000   0.00002   0.00002  -2.99675
   D73        0.10790   0.00000   0.00002  -0.00003  -0.00001   0.10789
   D74        0.00253   0.00000   0.00001   0.00008   0.00009   0.00262
   D75        0.21928   0.00000  -0.00015   0.00006  -0.00008   0.21920
   D76       -1.04721   0.00000  -0.00003  -0.00001  -0.00004  -1.04724
   D77        1.07514   0.00000  -0.00004  -0.00001  -0.00005   1.07509
   D78        3.09822   0.00000  -0.00003  -0.00002  -0.00005   3.09817
   D79       -3.13561   0.00000  -0.00002   0.00000  -0.00002  -3.13563
   D80       -1.01327   0.00000  -0.00002  -0.00001  -0.00003  -1.01330
   D81        1.00981   0.00000  -0.00001  -0.00001  -0.00003   1.00978
   D82        1.06179   0.00000  -0.00003   0.00000  -0.00004   1.06175
   D83       -3.09905   0.00000  -0.00003  -0.00001  -0.00005  -3.09910
   D84       -1.07597   0.00000  -0.00003  -0.00001  -0.00004  -1.07602
   D85       -0.08632   0.00000   0.00031   0.00019   0.00050  -0.08581
   D86        3.03344   0.00000   0.00032   0.00015   0.00047   3.03391
   D87       -2.20703   0.00000   0.00032   0.00020   0.00052  -2.20651
   D88        0.91273   0.00000   0.00033   0.00016   0.00049   0.91322
   D89        2.04834   0.00000   0.00033   0.00019   0.00052   2.04886
   D90       -1.11510   0.00000   0.00034   0.00016   0.00049  -1.11460
   D91        3.11807   0.00000   0.00001  -0.00001   0.00000   3.11807
   D92        0.01545   0.00000   0.00002  -0.00004  -0.00003   0.01542
   D93       -0.00446   0.00000   0.00000   0.00002   0.00002  -0.00444
   D94       -3.10709   0.00000   0.00001  -0.00001   0.00000  -3.10709
   D95       -3.11840   0.00000   0.00000   0.00001   0.00000  -3.11840
   D96       -0.00780   0.00000  -0.00004   0.00001  -0.00003  -0.00783
   D97        0.00667   0.00000   0.00000  -0.00002  -0.00002   0.00666
   D98        3.11728   0.00000  -0.00003  -0.00002  -0.00005   3.11723
   D99        0.00061   0.00000   0.00000  -0.00002  -0.00002   0.00059
   D100      -2.91134   0.00000  -0.00001   0.00001   0.00000  -2.91134
   D101       3.10659   0.00000  -0.00001   0.00002   0.00000   3.10659
   D102       0.19464   0.00000  -0.00002   0.00005   0.00003   0.19466
   D103      -0.00665   0.00000  -0.00001   0.00001   0.00000  -0.00664
   D104       3.09501   0.00000  -0.00004   0.00002  -0.00002   3.09500
   D105      -3.11717   0.00000   0.00003   0.00001   0.00004  -3.11713
   D106      -0.01551   0.00000  -0.00001   0.00002   0.00002  -0.01549
   D107       0.00370   0.00000   0.00001   0.00000   0.00001   0.00371
   D108       2.91619   0.00000   0.00001  -0.00003  -0.00002   2.91617
   D109      -3.09818   0.00000   0.00004  -0.00001   0.00003  -3.09815
   D110      -0.18569   0.00000   0.00004  -0.00004   0.00000  -0.18569
   D111      -0.47496   0.00000  -0.00024  -0.00015  -0.00039  -0.47535
   D112      -2.05717   0.00000  -0.00021  -0.00012  -0.00033  -2.05750
   D113       1.21601   0.00000  -0.00034  -0.00020  -0.00054   1.21547
   D114       2.79106   0.00000  -0.00028  -0.00014  -0.00043   2.79064
   D115       2.38013   0.00000   0.00005  -0.00032  -0.00027   2.37986
   D116       2.93899   0.00000  -0.00025  -0.00011  -0.00036   2.93863
   D117       1.35678   0.00000  -0.00022  -0.00008  -0.00030   1.35648
   D118      -1.65323   0.00000  -0.00035  -0.00016  -0.00051  -1.65373
   D119      -0.07817   0.00000  -0.00029  -0.00010  -0.00040  -0.07857
   D120      -0.48910   0.00000   0.00004  -0.00028  -0.00023  -0.48934
   D121      -1.05700   0.00000  -0.00002  -0.00001  -0.00003  -1.05702
   D122       3.10074   0.00000  -0.00002  -0.00001  -0.00002   3.10071
   D123       1.07658   0.00000  -0.00002  -0.00001  -0.00002   1.07655
   D124       1.05152   0.00000  -0.00001  -0.00001  -0.00003   1.05150
   D125      -1.07393   0.00000  -0.00002  -0.00001  -0.00002  -1.07395
   D126      -3.09809   0.00000  -0.00002  -0.00001  -0.00002  -3.09811
   D127      -3.13887   0.00000  -0.00001  -0.00002  -0.00003  -3.13890
   D128       1.01886   0.00000  -0.00001  -0.00001  -0.00002   1.01884
   D129      -1.00530   0.00000  -0.00001  -0.00001  -0.00002  -1.00532
   D130       0.37030   0.00000  -0.00021  -0.00022  -0.00044   0.36986
   D131      -2.76321   0.00000  -0.00018  -0.00022  -0.00040  -2.76361
   D132       2.49323   0.00000  -0.00021  -0.00023  -0.00044   2.49279
   D133      -0.64028   0.00000  -0.00018  -0.00023  -0.00041  -0.64069
   D134      -1.75572   0.00000  -0.00021  -0.00023  -0.00044  -1.75616
   D135       1.39395   0.00000  -0.00017  -0.00023  -0.00040   1.39355
   D136      -3.12720   0.00000   0.00001   0.00003   0.00004  -3.12716
   D137       0.01223   0.00000   0.00003   0.00000   0.00003   0.01225
   D138       0.00742   0.00000  -0.00002   0.00002   0.00001   0.00743
   D139      -3.13633   0.00000   0.00000   0.00000   0.00000  -3.13634
   D140       3.12798   0.00000   0.00000  -0.00004  -0.00004   3.12794
   D141       0.00257   0.00000  -0.00006  -0.00001  -0.00007   0.00250
   D142      -0.00739   0.00000   0.00002  -0.00004  -0.00002  -0.00741
   D143      -3.13281   0.00000  -0.00003  -0.00001  -0.00004  -3.13285
   D144      -0.00476   0.00000   0.00000   0.00000   0.00000  -0.00476
   D145       2.95883   0.00000  -0.00004   0.00001  -0.00003   2.95881
   D146       3.13880   0.00000  -0.00001   0.00002   0.00001   3.13882
   D147      -0.18079   0.00000  -0.00005   0.00004  -0.00002  -0.18081
   D148       0.00478   0.00000  -0.00002   0.00004   0.00002   0.00480
   D149      -3.11288   0.00000   0.00000   0.00003   0.00004  -3.11284
   D150       3.13017   0.00000   0.00004   0.00001   0.00004   3.13021
   D151       0.01251   0.00000   0.00006   0.00000   0.00006   0.01257
   D152      -0.00007   0.00000   0.00001  -0.00002  -0.00001  -0.00008
   D153      -2.96639   0.00000   0.00005  -0.00004   0.00001  -2.96638
   D154       3.11778   0.00000  -0.00001  -0.00002  -0.00003   3.11775
   D155       0.15146   0.00000   0.00003  -0.00004  -0.00001   0.15145
   D156      -1.44377   0.00000  -0.00002   0.00002  -0.00001  -1.44377
   D157       0.27007   0.00000  -0.00006  -0.00006  -0.00013   0.26995
   D158       2.81589   0.00000   0.00042   0.00021   0.00064   2.81653
   D159       1.73583   0.00000   0.00001  -0.00004  -0.00004   1.73579
   D160      -3.10863   0.00000   0.00000   0.00001   0.00001  -3.10862
   D161       1.48808   0.00000  -0.00007   0.00004  -0.00004   1.48804
   D162      -3.08127   0.00000  -0.00011  -0.00004  -0.00016  -3.08142
   D163      -0.53545   0.00000   0.00037   0.00023   0.00061  -0.53484
   D164      -1.61551   0.00000  -0.00004  -0.00002  -0.00007  -1.61558
   D165      -0.17678   0.00000  -0.00005   0.00003  -0.00002  -0.17681
   D166       1.73177   0.00000   0.00001  -0.00022  -0.00021   1.73155
   D167      -0.59163   0.00000  -0.00005  -0.00018  -0.00023  -0.59186
   D168       0.01204   0.00000   0.00005  -0.00014  -0.00009   0.01195
   D169      -2.31136   0.00000  -0.00001  -0.00010  -0.00011  -2.31147
   D170      -2.54108   0.00000  -0.00043  -0.00041  -0.00084  -2.54192
   D171       1.41870   0.00000  -0.00048  -0.00037  -0.00086   1.41784
   D172      -1.47443   0.00000  -0.00001  -0.00016  -0.00017  -1.47459
   D173       2.48536   0.00000  -0.00007  -0.00012  -0.00019   2.48517
   D174      -2.90205   0.00000   0.00001  -0.00021  -0.00020  -2.90225
   D175       1.05774   0.00000  -0.00005  -0.00017  -0.00022   1.05751
   D176       1.01315   0.00000  -0.00028   0.00056   0.00028   1.01343
   D177       3.03176   0.00000  -0.00002   0.00010   0.00008   3.03184
   D178       1.29568   0.00000   0.00002   0.00013   0.00015   1.29583
   D179      -1.63838   0.00000   0.00002   0.00011   0.00012  -1.63826
   D180      -0.20812   0.00000   0.00009   0.00009   0.00017  -0.20795
   D181       2.09019   0.00000  -0.00015   0.00006  -0.00009   2.09010
   D182      -0.76665   0.00000  -0.00044   0.00022  -0.00021  -0.76686
   D183      -2.64059   0.00000  -0.00017   0.00004  -0.00013  -2.64072
   D184       0.41812   0.00000  -0.00006   0.00011   0.00005   0.41817
   D185      -1.18036   0.00000  -0.00010   0.00005  -0.00005  -1.18041
   D186      -2.38759   0.00000  -0.00009  -0.00001  -0.00010  -2.38769
   D187       0.09521   0.00000  -0.00002  -0.00006  -0.00008   0.09513
   D188       2.12150   0.00000   0.00021   0.00000   0.00021   2.12171
   D189      -0.32882   0.00000   0.00015   0.00000   0.00015  -0.32866
   D190       0.90257   0.00000  -0.00003  -0.00012  -0.00014   0.90243
   D191      -2.25821   0.00000  -0.00006  -0.00006  -0.00012  -2.25833
   D192       0.07750   0.00000  -0.00002   0.00003   0.00001   0.07751
   D193      -3.09130   0.00000  -0.00012   0.00003  -0.00009  -3.09140
   D194      -3.04571   0.00000   0.00001  -0.00003  -0.00001  -3.04572
   D195       0.06867   0.00000  -0.00008  -0.00003  -0.00011   0.06856
   D196      -1.15048   0.00000   0.00007  -0.00003   0.00004  -1.15044
   D197       0.89505   0.00000   0.00007  -0.00003   0.00004   0.89509
   D198       3.02186   0.00000   0.00005  -0.00002   0.00003   3.02190
   D199       1.97291   0.00000   0.00003   0.00003   0.00006   1.97297
   D200      -2.26474   0.00000   0.00003   0.00003   0.00006  -2.26468
   D201      -0.13793   0.00000   0.00002   0.00004   0.00005  -0.13787
   D202      -1.44476   0.00000   0.00006  -0.00003   0.00002  -1.44474
   D203       0.57591   0.00000   0.00007  -0.00002   0.00005   0.57596
   D204       2.65467   0.00000   0.00007  -0.00002   0.00005   2.65472
   D205       1.72399   0.00000   0.00015  -0.00003   0.00012   1.72411
   D206      -2.53852   0.00000   0.00017  -0.00002   0.00015  -2.53837
   D207      -0.45976   0.00000   0.00017  -0.00002   0.00015  -0.45961
   D208       0.69903   0.00000  -0.00006   0.00016   0.00010   0.69913
   D209      -2.51065   0.00000  -0.00003   0.00015   0.00012  -2.51053
   D210      -1.36984   0.00000  -0.00007   0.00014   0.00008  -1.36976
   D211       1.70367   0.00000  -0.00004   0.00013   0.00010   1.70377
   D212       2.85740   0.00000  -0.00007   0.00014   0.00007   2.85747
   D213      -0.35227   0.00000  -0.00004   0.00013   0.00009  -0.35218
   D214       1.00573   0.00000   0.00009  -0.00019  -0.00010   1.00563
   D215      -2.06294   0.00000   0.00006  -0.00018  -0.00012  -2.06306
   D216       0.00059   0.00000  -0.00012   0.00006  -0.00006   0.00053
   D217      -2.92213   0.00000  -0.00002   0.00005   0.00003  -2.92210
   D218       3.07186   0.00000  -0.00009   0.00005  -0.00004   3.07182
   D219       0.14913   0.00000   0.00001   0.00004   0.00005   0.14918
   D220      -2.44802   0.00000  -0.00005  -0.00014  -0.00019  -2.44821
   D221      -0.36044   0.00000  -0.00005  -0.00014  -0.00018  -0.36062
   D222       1.71808   0.00000  -0.00002  -0.00012  -0.00014   1.71795
   D223       0.90965   0.00000   0.00005  -0.00016  -0.00011   0.90954
   D224       2.99723   0.00000   0.00006  -0.00015  -0.00010   2.99713
   D225      -1.20743   0.00000   0.00008  -0.00013  -0.00005  -1.20749
         Item               Value     Threshold  Converged?
 Maximum Force            0.000013     0.000450     YES
 RMS     Force            0.000002     0.000300     YES
 Maximum Displacement     0.001945     0.001800     NO 
 RMS     Displacement     0.000305     0.001200     YES
 Predicted change in Energy=-1.124222D-08
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.071676    2.539987    3.559478
      2          6           0       -3.329812    1.181516    3.653466
      3          6           0       -2.082303    1.111211    2.816788
      4          6           0       -1.696757    0.256559    1.794772
      5          7           0       -1.006829    2.001244    2.970207
      6          6           0       -0.029467    1.668554    2.064629
      7          7           0       -0.415828    0.612177    1.334444
      8          6           0       -5.230281    0.898731    0.146722
      9          6           0       -5.867219   -0.172435   -0.765642
     10          6           0       -5.239680   -1.575533   -0.577339
     11          6           0       -3.757422   -1.573892   -0.942664
     12          8           0       -3.362825   -1.076580   -2.049695
     13          8           0       -2.909955   -2.072415   -0.038320
     14          6           0       -2.267388    4.237826   -2.983161
     15          6           0       -0.994394    3.840552   -3.759546
     16          6           0       -0.192763    2.764138   -3.075825
     17          6           0       -0.321159    2.122473   -1.853426
     18          7           0        0.931688    2.168319   -3.673058
     19          6           0        1.430576    1.208368   -2.827193
     20          7           0        0.691770    1.158458   -1.710377
     21          6           0        4.685979    4.003301    1.488201
     22          6           0        5.160803    2.624947    1.997493
     23          6           0        4.192422    1.525585    1.652107
     24          6           0        3.202803    1.432622    0.683826
     25          7           0        4.134390    0.301592    2.337730
     26          6           0        3.135265   -0.469318    1.787738
     27          7           0        2.554454    0.193950    0.782327
     28         30           0        0.759440   -0.394874   -0.223311
     29          1           0       -4.985264    2.515603    4.164890
     30          1           0       -4.353547    2.760373    2.523943
     31          1           0       -3.454918    3.370391    3.930479
     32          1           0       -3.997861    0.378548    3.324042
     33          1           0       -3.088776    0.972144    4.706657
     34          1           0       -2.248610   -0.565040    1.360734
     35          1           0       -0.966688    2.766845    3.630251
     36          1           0        0.908249    2.191398    1.973915
     37          1           0       -4.160131    1.010489   -0.069086
     38          1           0       -5.341301    0.626459    1.206095
     39          1           0       -5.711178    1.874956   -0.002507
     40          1           0       -6.945967   -0.234649   -0.563409
     41          1           0       -5.745818    0.121329   -1.815520
     42          1           0       -5.352802   -1.925368    0.455199
     43          1           0       -5.753839   -2.290563   -1.235269
     44          1           0       -2.936600    3.378492   -2.858238
     45          1           0       -2.813195    5.016926   -3.526705
     46          1           0       -2.020838    4.631973   -1.989202
     47          1           0       -1.282077    3.492841   -4.763131
     48          1           0       -0.365544    4.731931   -3.907066
     49          1           0       -1.074730    2.260315   -1.096491
     50          1           0        1.295512    2.391806   -4.590795
     51          1           0        2.265832    0.562675   -3.042068
     52          1           0        4.579957    4.009197    0.396592
     53          1           0        3.720203    4.277514    1.929444
     54          1           0        5.413682    4.778232    1.753614
     55          1           0        5.296461    2.667124    3.088195
     56          1           0        6.149984    2.402328    1.570906
     57          1           0        2.915463    2.155795   -0.061252
     58          1           0        4.721652    0.036754    3.118556
     59          1           0        2.844333   -1.449946    2.126901
     60          8           0       -0.792369   -1.393411   -1.070020
     61          1           0       -1.227535   -1.055513   -1.886360
     62          1           0       -1.657711   -1.783912   -0.518072
     63          6           0        2.982754   -2.517874   -1.579896
     64          8           0        2.282721   -1.467935   -1.704189
     65          7           0        2.440382   -3.710626   -1.189861
     66          6           0        1.003443   -3.900075   -0.976185
     67          6           0        0.525210   -3.440349    0.408889
     68          8           0        0.989446   -2.369824    0.926792
     69          7           0       -0.448690   -4.177811    0.982495
     70          1           0        0.450045   -3.264179   -1.679137
     71          1           0        0.750472   -4.948939   -1.163896
     72          1           0        3.055537   -4.505569   -1.064943
     73          1           0       -0.804058   -4.981658    0.474959
     74          6           0       -1.213728   -3.747568    2.169125
     75          1           0       -1.371671   -4.601591    2.835757
     76          1           0       -0.641506   -2.978416    2.691711
     77          1           0       -2.173700   -3.328579    1.845188
     78          6           0        4.469945   -2.510876   -1.884282
     79          1           0        4.616405   -2.327449   -2.955342
     80          1           0        4.942818   -1.686474   -1.341170
     81          1           0        4.969650   -3.448880   -1.621360
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968764      0.0727466      0.0660113
 Standard basis: LANL2DZ (5D, 7F)
 There are   439 symmetry adapted cartesian basis functions of A   symmetry.
 There are   437 symmetry adapted basis functions of A   symmetry.
   437 basis functions,  1136 primitive gaussians,   439 cartesian basis functions
   147 alpha electrons      147 beta electrons
       nuclear repulsion energy      4911.7588585772 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122067.
 LDataN:  DoStor=T MaxTD1= 5 Len=  102
 NBasis=   437 RedAO= T EigKep=  1.43D-03  NBF=   437
 NBsUse=   437 1.00D-06 EigRej= -1.00D+00 NBFU=   437
 Initial guess from the checkpoint file:  "crystal_high_Zn_re_ligand_colIII_flipped_6_2.chk"
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000016    0.000013    0.000008 Ang=   0.00 deg.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 SCF Done:  E(RB3LYP) =  -1819.97582129     A.U. after    6 cycles
            NFock=  6  Conv=0.95D-08     -V/T= 1.9787
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   38503 NPrTT=  273125 LenC2=   33676 LenP2D=  122067.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 Calling FoFJK, ICntrl=      2127 FMM=T ISym2X=0 I1Cent= 0 IOpClX= 0 NMat=1 NMatS=1 NMatT=0.
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000000000    0.000000000    0.000000000
      2        6          -0.000001630    0.000002155   -0.000000591
      3        6          -0.000004203   -0.000001333    0.000000551
      4        6           0.000005629   -0.000003587    0.000001312
      5        7           0.000002184    0.000001546    0.000002105
      6        6          -0.000006740   -0.000004912   -0.000005517
      7        7           0.000005349    0.000003795    0.000002531
      8        6           0.000000000    0.000000000    0.000000000
      9        6           0.000000677   -0.000002003   -0.000000590
     10        6           0.000000102    0.000002059   -0.000004309
     11        6          -0.000003045    0.000004475    0.000004544
     12        8          -0.000001668   -0.000002985   -0.000002085
     13        8          -0.000008677   -0.000005799   -0.000002618
     14        6           0.000000000    0.000000000    0.000000000
     15        6          -0.000000584    0.000002075    0.000001000
     16        6          -0.000004584   -0.000003837   -0.000003786
     17        6          -0.000002004    0.000003742    0.000001564
     18        7           0.000003705   -0.000001139    0.000003103
     19        6          -0.000003211    0.000002401   -0.000001848
     20        7           0.000009008   -0.000001869    0.000006557
     21        6           0.000000000    0.000000000    0.000000000
     22        6          -0.000000770   -0.000000133   -0.000000681
     23        6           0.000002250   -0.000001703    0.000000191
     24        6          -0.000003631    0.000002306   -0.000001537
     25        7          -0.000001910    0.000000739   -0.000000998
     26        6           0.000000507    0.000001518   -0.000002712
     27        7           0.000006800   -0.000005845    0.000003302
     28       30          -0.000010209    0.000005964   -0.000007336
     29        1          -0.000000561   -0.000000696   -0.000000064
     30        1           0.000001346   -0.000000726   -0.000001911
     31        1          -0.000000713   -0.000002745    0.000002538
     32        1           0.000001283    0.000001112   -0.000002150
     33        1          -0.000000786    0.000001081    0.000001701
     34        1           0.000000503    0.000000682    0.000000305
     35        1          -0.000000120   -0.000000904   -0.000000689
     36        1           0.000000967   -0.000000438   -0.000000069
     37        1           0.000000889   -0.000000039    0.000000947
     38        1           0.000000487    0.000000134    0.000000035
     39        1           0.000000552    0.000000249    0.000000156
     40        1           0.000000055    0.000000105    0.000000644
     41        1          -0.000000685    0.000000504   -0.000000158
     42        1           0.000000633    0.000000834    0.000000553
     43        1          -0.000000537   -0.000000184    0.000000017
     44        1           0.000000042    0.000000117    0.000000409
     45        1          -0.000000123   -0.000000346   -0.000000313
     46        1           0.000000089    0.000000179    0.000000298
     47        1           0.000000308    0.000000302   -0.000000512
     48        1           0.000000206   -0.000000214   -0.000000750
     49        1           0.000000256   -0.000001731    0.000000162
     50        1          -0.000000516    0.000000243   -0.000000357
     51        1          -0.000000328   -0.000001069    0.000000023
     52        1           0.000000146    0.000000079    0.000000205
     53        1           0.000000670   -0.000000365    0.000000491
     54        1           0.000000423   -0.000000211    0.000000256
     55        1           0.000000140   -0.000000278    0.000000067
     56        1          -0.000000417    0.000000562    0.000000101
     57        1           0.000001247    0.000000071    0.000001538
     58        1           0.000000315   -0.000000465    0.000000470
     59        1          -0.000000118   -0.000000101    0.000000846
     60        8          -0.000001404   -0.000001319   -0.000006660
     61        1           0.000003904    0.000002516    0.000001688
     62        1           0.000013030    0.000004621    0.000005078
     63        6           0.000000840    0.000009626   -0.000001690
     64        8          -0.000001738   -0.000010009    0.000004392
     65        7           0.000001647   -0.000004324   -0.000000376
     66        6          -0.000001777    0.000001955   -0.000002497
     67        6           0.000001313   -0.000006220    0.000004258
     68        8           0.000000204    0.000008747   -0.000001123
     69        7           0.000005072    0.000000001    0.000000678
     70        1           0.000000148    0.000000280    0.000001624
     71        1          -0.000000063    0.000000282   -0.000000371
     72        1          -0.000001100   -0.000000212    0.000001309
     73        1          -0.000003795    0.000000961    0.000001159
     74        6          -0.000003533   -0.000001218   -0.000002504
     75        1           0.000001357    0.000001002    0.000000158
     76        1          -0.000000269    0.000000962    0.000000716
     77        1           0.000000753    0.000000162    0.000000564
     78        6          -0.000002726   -0.000001901   -0.000001721
     79        1           0.000001129   -0.000000120   -0.000000335
     80        1           0.000000180    0.000000608    0.000000195
     81        1          -0.000000134    0.000000051   -0.000000182
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013030 RMS     0.000002757

 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
 Berny optimization.
 Using GEDIIS/GDIIS optimizer.
 FormGI is forming the generalized inverse of G from B-inverse, IUseBI=4.
 Internal  Forces:  Max     0.000009633 RMS     0.000001480
 Search for a local minimum.
 Step number  59 out of a maximum of  486
 All quantities printed in internal units (Hartrees-Bohrs-Radians)
 Mixed Optimization -- En-DIIS/RFO-DIIS
 Swapping is turned off.
 Update second derivatives using D2CorX and points   30   31   32   33   34
                                                     35   36   37   38   39
                                                     40   41   42   43   44
                                                     45   46   47   48   49
                                                     50   51   52   53   54
                                                     55   56   57   58   59
 DE= -6.61D-08 DEPred=-1.12D-08 R= 5.88D+00
 Trust test= 5.88D+00 RLast= 2.99D-03 DXMaxT set to 3.00D+00
 ITU=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1
 ITU=  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  1  0  1  0
     Eigenvalues ---    0.00056   0.00077   0.00091   0.00159   0.00209
     Eigenvalues ---    0.00230   0.00231   0.00234   0.00240   0.00246
     Eigenvalues ---    0.00280   0.00344   0.00413   0.00490   0.00558
     Eigenvalues ---    0.00597   0.00699   0.00769   0.00808   0.00899
     Eigenvalues ---    0.00922   0.01150   0.01213   0.01255   0.01349
     Eigenvalues ---    0.01431   0.01584   0.01652   0.01766   0.01790
     Eigenvalues ---    0.01803   0.01856   0.01916   0.01929   0.02038
     Eigenvalues ---    0.02152   0.02233   0.02266   0.02269   0.02349
     Eigenvalues ---    0.02451   0.02511   0.02589   0.02828   0.02978
     Eigenvalues ---    0.03398   0.03463   0.03702   0.03797   0.04018
     Eigenvalues ---    0.04082   0.04191   0.04201   0.04286   0.04448
     Eigenvalues ---    0.04638   0.04777   0.04863   0.05035   0.05229
     Eigenvalues ---    0.05314   0.05344   0.05382   0.05388   0.05404
     Eigenvalues ---    0.05429   0.05462   0.05507   0.05511   0.05531
     Eigenvalues ---    0.05547   0.05590   0.05686   0.06183   0.06903
     Eigenvalues ---    0.07288   0.07474   0.07563   0.07647   0.08022
     Eigenvalues ---    0.08297   0.08346   0.09068   0.09195   0.09331
     Eigenvalues ---    0.09486   0.09503   0.09695   0.10131   0.10488
     Eigenvalues ---    0.10695   0.11329   0.12176   0.12363   0.12636
     Eigenvalues ---    0.12880   0.12967   0.13017   0.13390   0.14078
     Eigenvalues ---    0.14469   0.15392   0.15714   0.15834   0.15905
     Eigenvalues ---    0.15945   0.15974   0.15982   0.15988   0.15992
     Eigenvalues ---    0.15996   0.15998   0.16001   0.16002   0.16006
     Eigenvalues ---    0.16008   0.16008   0.16014   0.16020   0.16023
     Eigenvalues ---    0.16032   0.16048   0.16058   0.16065   0.16124
     Eigenvalues ---    0.16146   0.16198   0.16253   0.16282   0.16379
     Eigenvalues ---    0.16523   0.16648   0.18153   0.19690   0.20568
     Eigenvalues ---    0.21144   0.21376   0.22134   0.22333   0.22375
     Eigenvalues ---    0.22711   0.22902   0.23137   0.23442   0.23645
     Eigenvalues ---    0.23818   0.23996   0.24131   0.24510   0.24869
     Eigenvalues ---    0.25137   0.25486   0.26094   0.27486   0.27690
     Eigenvalues ---    0.28200   0.28225   0.28393   0.28658   0.29792
     Eigenvalues ---    0.30396   0.30606   0.30960   0.31549   0.31742
     Eigenvalues ---    0.31969   0.33582   0.33630   0.33660   0.33663
     Eigenvalues ---    0.33682   0.33779   0.33803   0.33844   0.33861
     Eigenvalues ---    0.33919   0.33939   0.33951   0.33983   0.34004
     Eigenvalues ---    0.34013   0.34038   0.34053   0.34081   0.34087
     Eigenvalues ---    0.34126   0.34152   0.34177   0.34180   0.34211
     Eigenvalues ---    0.34247   0.34305   0.34318   0.34362   0.34653
     Eigenvalues ---    0.35370   0.35755   0.35845   0.36175   0.36239
     Eigenvalues ---    0.36343   0.36479   0.36550   0.37925   0.39088
     Eigenvalues ---    0.39326   0.40024   0.42340   0.42656   0.42966
     Eigenvalues ---    0.45292   0.45377   0.45444   0.45576   0.45583
     Eigenvalues ---    0.45629   0.45764   0.46287   0.48756   0.49156
     Eigenvalues ---    0.49357   0.49789   0.49889   0.52677   0.54457
     Eigenvalues ---    0.54930   0.55124   0.56703   0.65152   0.73487
     Eigenvalues ---    0.767511000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.000001000.000001000.00000
     Eigenvalues --- 1000.000001000.000001000.00000
 En-DIIS/RFO-DIIS IScMMF=        0 using points:    59   58   57   56   55
 RFO step:  Lambda=-2.32574443D-09.
 DidBck=F Rises=F RFO-DIIS coefs:    1.49090   -0.31429   -0.36832    0.18047    0.01125
 Iteration  1 RMS(Cart)=  0.00020377 RMS(Int)=  0.00000002
 Iteration  2 RMS(Cart)=  0.00000005 RMS(Int)=  0.00000001
 Variable       Old X    -DE/DX   Delta X   Delta X   Delta X     New X
                                 (Linear)    (Quad)   (Total)
    X1        8.48449   0.00000   0.00000   0.00000   0.00000   8.48449
    Y1       -0.92762   0.00000   0.00000   0.00000   0.00000  -0.92762
    Z1        7.47498   0.00000   0.00000   0.00000   0.00000   7.47498
    X8       10.19807   0.00000   0.00000   0.00000   0.00000  10.19807
    Y8        1.20622   0.00000   0.00000   0.00000   0.00000   1.20622
    Z8        0.50969   0.00000   0.00000   0.00000   0.00000   0.50969
   X14        7.21039   0.00000   0.00000   0.00000   0.00000   7.21039
   Y14       -7.64140   0.00000   0.00000   0.00000   0.00000  -7.64140
   Z14       -3.84248   0.00000   0.00000   0.00000   0.00000  -3.84248
   X21       -6.13877   0.00000   0.00000   0.00000   0.00000  -6.13877
   Y21       -9.38867   0.00000   0.00000   0.00000   0.00000  -9.38867
   Z21        4.09468   0.00000   0.00000   0.00000   0.00000   4.09468
    R1        2.93038   0.00000  -0.00001   0.00000   0.00000   2.93038
    R2        2.07161   0.00000   0.00000   0.00000   0.00000   2.07161
    R3        2.07040   0.00000   0.00000   0.00000   0.00000   2.07040
    R4        2.07664   0.00000   0.00000   0.00001   0.00000   2.07664
    R5        2.84167   0.00000   0.00000   0.00000   0.00000   2.84167
    R6        2.06972   0.00000   0.00000   0.00001   0.00000   2.06972
    R7        2.07968   0.00000  -0.00001   0.00001   0.00000   2.07968
    R8        2.62093   0.00000   0.00000   0.00000   0.00000   2.62092
    R9        2.65393   0.00000   0.00000   0.00000   0.00000   2.65394
   R10        2.65851   0.00000   0.00000   0.00000   0.00000   2.65851
   R11        2.04226   0.00000   0.00000   0.00000   0.00000   2.04227
   R12        2.59519   0.00000  -0.00001   0.00000   0.00000   2.59519
   R13        1.91172   0.00000   0.00000   0.00000   0.00000   1.91172
   R14        2.53419   0.00000   0.00000   0.00000   0.00000   2.53419
   R15        2.03609   0.00000   0.00000   0.00000   0.00000   2.03609
   R16        4.14966   0.00000   0.00007   0.00000   0.00007   4.14974
   R17        2.91869   0.00000   0.00000   0.00001   0.00000   2.91869
   R18        2.07378   0.00000   0.00000   0.00000   0.00000   2.07378
   R19        2.07761   0.00000   0.00000   0.00000   0.00000   2.07761
   R20        2.07573   0.00000   0.00000   0.00000   0.00000   2.07573
   R21        2.92630   0.00000   0.00000   0.00001   0.00001   2.92631
   R22        2.07738   0.00000   0.00000   0.00000   0.00000   2.07738
   R23        2.07292   0.00000   0.00000   0.00000   0.00000   2.07292
   R24        2.88488   0.00000   0.00000   0.00000  -0.00001   2.88488
   R25        2.07123   0.00000   0.00000   0.00000   0.00000   2.07123
   R26        2.07741   0.00000   0.00000   0.00000   0.00000   2.07741
   R27        2.41156   0.00000   0.00001   0.00000   0.00001   2.41157
   R28        2.52444   0.00000   0.00000   0.00000   0.00000   2.52444
   R29        4.04710   0.00000  -0.00022  -0.00012  -0.00034   4.04675
   R30        2.59210  -0.00001   0.00006  -0.00007  -0.00001   2.59210
   R31        2.91601   0.00000   0.00000   0.00000   0.00000   2.91601
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   D37       -2.60656   0.00000   0.00012   0.00009   0.00021  -2.60635
   D38        0.32205   0.00000   0.00012   0.00014   0.00026   0.32231
   D39       -2.32626   0.00000   0.00017  -0.00036  -0.00019  -2.32645
   D40       -1.11992   0.00000   0.00010   0.00012   0.00022  -1.11970
   D41       -1.22801   0.00000   0.00015   0.00012   0.00027  -1.22774
   D42        0.49596   0.00000   0.00013   0.00009   0.00021   0.49617
   D43       -2.85861   0.00000   0.00013   0.00013   0.00027  -2.85835
   D44        0.77626   0.00000   0.00018  -0.00037  -0.00019   0.77607
   D45        1.98260   0.00000   0.00011   0.00011   0.00022   1.98282
   D46        1.06372   0.00000  -0.00004   0.00002  -0.00002   1.06369
   D47       -3.09728   0.00000  -0.00004   0.00002  -0.00002  -3.09731
   D48       -1.04428   0.00000  -0.00004   0.00001  -0.00003  -1.04430
   D49       -1.03533   0.00000  -0.00004   0.00002  -0.00002  -1.03535
   D50        1.08686   0.00000  -0.00003   0.00001  -0.00002   1.08684
   D51        3.13986   0.00000  -0.00004   0.00001  -0.00002   3.13984
   D52       -3.12519   0.00000  -0.00004   0.00002  -0.00002  -3.12521
   D53       -1.00301   0.00000  -0.00003   0.00002  -0.00002  -1.00302
   D54        1.05000   0.00000  -0.00003   0.00002  -0.00002   1.04998
   D55       -1.08412   0.00000  -0.00002  -0.00003  -0.00006  -1.08417
   D56        1.04152   0.00000  -0.00002  -0.00003  -0.00005   1.04147
   D57        3.11743   0.00000  -0.00002  -0.00003  -0.00005   3.11738
   D58        3.07017   0.00000  -0.00003  -0.00003  -0.00006   3.07011
   D59       -1.08738   0.00000  -0.00002  -0.00003  -0.00005  -1.08743
   D60        0.98854   0.00000  -0.00003  -0.00003  -0.00005   0.98849
   D61        1.03576   0.00000  -0.00002  -0.00003  -0.00005   1.03571
   D62       -3.12179   0.00000  -0.00001  -0.00003  -0.00004  -3.12183
   D63       -1.04587   0.00000  -0.00002  -0.00003  -0.00004  -1.04591
   D64       -0.86902   0.00000  -0.00001   0.00002   0.00001  -0.86900
   D65        2.23637   0.00000   0.00001   0.00002   0.00003   2.23640
   D66       -3.01673   0.00000  -0.00002   0.00002   0.00000  -3.01673
   D67        0.08865   0.00000   0.00000   0.00002   0.00002   0.08867
   D68        1.22230   0.00000  -0.00002   0.00002   0.00000   1.22230
   D69       -1.95550   0.00000   0.00000   0.00002   0.00002  -1.95548
   D70        2.98711   0.00000  -0.00004   0.00001  -0.00003   2.98708
   D71       -0.11624   0.00000  -0.00006   0.00001  -0.00005  -0.11629
   D72       -2.99675   0.00000   0.00001  -0.00002   0.00000  -2.99676
   D73        0.10789   0.00000   0.00003  -0.00002   0.00001   0.10790
   D74        0.00262   0.00000   0.00010   0.00000   0.00010   0.00272
   D75        0.21920   0.00000   0.00002   0.00002   0.00004   0.21924
   D76       -1.04724   0.00000  -0.00002   0.00001  -0.00001  -1.04726
   D77        1.07509   0.00000  -0.00003   0.00001  -0.00002   1.07507
   D78        3.09817   0.00000  -0.00003   0.00001  -0.00002   3.09815
   D79       -3.13563   0.00000  -0.00001   0.00001   0.00000  -3.13563
   D80       -1.01330   0.00000  -0.00002   0.00001  -0.00001  -1.01331
   D81        1.00978   0.00000  -0.00002   0.00001  -0.00001   1.00977
   D82        1.06175   0.00000  -0.00002   0.00001  -0.00001   1.06174
   D83       -3.09910   0.00000  -0.00003   0.00001  -0.00002  -3.09912
   D84       -1.07602   0.00000  -0.00003   0.00001  -0.00002  -1.07604
   D85       -0.08581   0.00000   0.00022   0.00003   0.00025  -0.08556
   D86        3.03391   0.00000   0.00020   0.00001   0.00021   3.03412
   D87       -2.20651   0.00000   0.00023   0.00003   0.00027  -2.20624
   D88        0.91322   0.00000   0.00021   0.00001   0.00022   0.91344
   D89        2.04886   0.00000   0.00023   0.00004   0.00027   2.04913
   D90       -1.11460   0.00000   0.00021   0.00001   0.00022  -1.11438
   D91        3.11807   0.00000  -0.00001  -0.00004  -0.00005   3.11802
   D92        0.01542   0.00000  -0.00002  -0.00003  -0.00006   0.01537
   D93       -0.00444   0.00000   0.00000  -0.00002  -0.00001  -0.00445
   D94       -3.10709   0.00000   0.00000  -0.00001  -0.00002  -3.10710
   D95       -3.11840   0.00000   0.00001   0.00004   0.00005  -3.11835
   D96       -0.00783   0.00000  -0.00002   0.00003   0.00000  -0.00783
   D97        0.00666   0.00000  -0.00001   0.00002   0.00001   0.00667
   D98        3.11723   0.00000  -0.00004   0.00001  -0.00003   3.11720
   D99        0.00059   0.00000   0.00000   0.00001   0.00001   0.00060
   D100      -2.91134   0.00000  -0.00001   0.00005   0.00004  -2.91129
   D101       3.10659   0.00000   0.00001   0.00000   0.00001   3.10660
   D102       0.19466   0.00000   0.00000   0.00004   0.00004   0.19471
   D103      -0.00664   0.00000   0.00001  -0.00001  -0.00001  -0.00665
   D104       3.09500   0.00000   0.00000  -0.00001  -0.00001   3.09499
   D105      -3.11713   0.00000   0.00004   0.00000   0.00004  -3.11709
   D106      -0.01549   0.00000   0.00003   0.00001   0.00004  -0.01545
   D107       0.00371   0.00000   0.00000   0.00000   0.00000   0.00371
   D108       2.91617   0.00000   0.00001  -0.00004  -0.00003   2.91614
   D109      -3.09815   0.00000   0.00001  -0.00001   0.00000  -3.09815
   D110      -0.18569   0.00000   0.00002  -0.00005  -0.00003  -0.18572
   D111      -0.47535   0.00000  -0.00016  -0.00003  -0.00019  -0.47555
   D112      -2.05750   0.00000  -0.00013  -0.00001  -0.00013  -2.05763
   D113       1.21547   0.00000  -0.00024  -0.00002  -0.00027   1.21520
   D114       2.79064   0.00000  -0.00018   0.00001  -0.00018   2.79046
   D115       2.37986   0.00000  -0.00008  -0.00004  -0.00012   2.37974
   D116       2.93863   0.00000  -0.00017   0.00001  -0.00016   2.93847
   D117       1.35648   0.00000  -0.00014   0.00004  -0.00010   1.35639
   D118      -1.65373   0.00000  -0.00025   0.00002  -0.00023  -1.65396
   D119      -0.07857   0.00000  -0.00019   0.00005  -0.00014  -0.07871
   D120      -0.48934   0.00000  -0.00009   0.00001  -0.00009  -0.48942
   D121      -1.05702   0.00000  -0.00001   0.00000  -0.00001  -1.05703
   D122       3.10071   0.00000  -0.00001   0.00000   0.00000   3.10071
   D123       1.07655   0.00000  -0.00001   0.00000   0.00000   1.07655
   D124       1.05150   0.00000  -0.00001   0.00000   0.00000   1.05149
   D125      -1.07395   0.00000  -0.00001   0.00001   0.00000  -1.07395
   D126      -3.09811   0.00000  -0.00001   0.00000   0.00000  -3.09812
   D127      -3.13890   0.00000  -0.00001   0.00000  -0.00001  -3.13891
   D128       1.01884   0.00000  -0.00001   0.00000   0.00000   1.01884
   D129      -1.00532   0.00000  -0.00001   0.00000  -0.00001  -1.00533
   D130       0.36986   0.00000  -0.00010  -0.00014  -0.00024   0.36962
   D131      -2.76361   0.00000  -0.00009  -0.00013  -0.00023  -2.76384
   D132       2.49279   0.00000  -0.00011  -0.00014  -0.00025   2.49255
   D133      -0.64069   0.00000  -0.00010  -0.00014  -0.00023  -0.64092
   D134      -1.75616   0.00000  -0.00010  -0.00014  -0.00024  -1.75640
   D135       1.39355   0.00000  -0.00009  -0.00014  -0.00023   1.39332
   D136      -3.12716   0.00000   0.00002   0.00000   0.00001  -3.12715
   D137       0.01225   0.00000   0.00000  -0.00001  -0.00001   0.01224
   D138       0.00743   0.00000   0.00001  -0.00001   0.00000   0.00743
   D139      -3.13634   0.00000  -0.00001  -0.00001  -0.00002  -3.13636
   D140       3.12794   0.00000  -0.00001   0.00001   0.00000   3.12794
   D141       0.00250   0.00000  -0.00003   0.00001  -0.00002   0.00248
   D142      -0.00741   0.00000  -0.00001   0.00001   0.00001  -0.00740
   D143      -3.13285   0.00000  -0.00002   0.00001  -0.00001  -3.13286
   D144      -0.00476   0.00000   0.00000   0.00000  -0.00001  -0.00476
   D145       2.95881   0.00000   0.00005   0.00003   0.00008   2.95889
   D146       3.13882   0.00000   0.00001   0.00000   0.00001   3.13883
   D147      -0.18081   0.00000   0.00007   0.00003   0.00010  -0.18071
   D148       0.00480   0.00000   0.00000  -0.00001  -0.00001   0.00479
   D149      -3.11284   0.00000   0.00002  -0.00001   0.00002  -3.11283
   D150       3.13021   0.00000   0.00001  -0.00001   0.00000   3.13021
   D151       0.01257   0.00000   0.00003  -0.00001   0.00003   0.01260
   D152      -0.00008   0.00000   0.00000   0.00001   0.00001  -0.00007
   D153      -2.96638   0.00000  -0.00006  -0.00002  -0.00008  -2.96646
   D154       3.11775   0.00000  -0.00002   0.00000  -0.00002   3.11774
   D155       0.15145   0.00000  -0.00008  -0.00003  -0.00011   0.15134
   D156      -1.44377   0.00000  -0.00005   0.00004  -0.00001  -1.44379
   D157       0.26995   0.00000  -0.00012  -0.00001  -0.00013   0.26982
   D158       2.81653   0.00000   0.00033  -0.00003   0.00029   2.81682
   D159       1.73579   0.00000  -0.00005  -0.00002  -0.00007   1.73572
   D160      -3.10862   0.00000  -0.00003   0.00001  -0.00002  -3.10864
   D161       1.48804   0.00000   0.00002   0.00007   0.00009   1.48814
   D162      -3.08142   0.00000  -0.00005   0.00003  -0.00002  -3.08144
   D163      -0.53484   0.00000   0.00040   0.00000   0.00040  -0.53444
   D164      -1.61558   0.00000   0.00002   0.00002   0.00004  -1.61554
   D165      -0.17681   0.00000   0.00004   0.00005   0.00009  -0.17672
   D166       1.73155   0.00000  -0.00005  -0.00012  -0.00017   1.73138
   D167      -0.59186   0.00000  -0.00008  -0.00009  -0.00017  -0.59203
   D168       0.01195   0.00000   0.00002  -0.00008  -0.00006   0.01188
   D169      -2.31147   0.00000  -0.00002  -0.00005  -0.00006  -2.31153
   D170      -2.54192   0.00000  -0.00042  -0.00005  -0.00047  -2.54239
   D171       1.41784   0.00000  -0.00045  -0.00002  -0.00047   1.41737
   D172      -1.47459   0.00000  -0.00004  -0.00007  -0.00011  -1.47471
   D173       2.48517   0.00000  -0.00007  -0.00004  -0.00011   2.48506
   D174      -2.90225   0.00000  -0.00005  -0.00010  -0.00015  -2.90241
   D175       1.05751   0.00000  -0.00008  -0.00007  -0.00015   1.05736
   D176       1.01343   0.00000   0.00005   0.00053   0.00058   1.01401
   D177       3.03184   0.00000   0.00007   0.00005   0.00011   3.03195
   D178       1.29583   0.00000   0.00010   0.00007   0.00017   1.29600
   D179      -1.63826   0.00000   0.00010   0.00003   0.00013  -1.63813
   D180      -0.20795   0.00000   0.00013   0.00004   0.00017  -0.20778
   D181       2.09010   0.00000  -0.00008   0.00007   0.00000   2.09009
   D182      -0.76686   0.00000  -0.00015   0.00008  -0.00007  -0.76693
   D183      -2.64072   0.00000  -0.00009   0.00005  -0.00004  -2.64076
   D184       0.41817   0.00000   0.00000   0.00006   0.00006   0.41823
   D185      -1.18041   0.00000  -0.00005   0.00004  -0.00001  -1.18042
   D186      -2.38769   0.00000  -0.00009   0.00004  -0.00005  -2.38774
   D187       0.09513   0.00000  -0.00006   0.00000  -0.00007   0.09506
   D188       2.12171   0.00000   0.00005  -0.00001   0.00003   2.12174
   D189      -0.32866   0.00000   0.00002  -0.00001   0.00001  -0.32866
   D190       0.90243   0.00000  -0.00013  -0.00007  -0.00020   0.90223
   D191      -2.25833   0.00000  -0.00011  -0.00011  -0.00022  -2.25855
   D192       0.07751   0.00000   0.00004   0.00002   0.00006   0.07756
   D193      -3.09140   0.00000  -0.00003   0.00001  -0.00002  -3.09142
   D194      -3.04572   0.00000   0.00002   0.00006   0.00008  -3.04565
   D195       0.06856   0.00000  -0.00005   0.00005   0.00000   0.06855
   D196      -1.15044   0.00000   0.00005   0.00004   0.00009  -1.15035
   D197       0.89509   0.00000   0.00005   0.00004   0.00009   0.89518
   D198       3.02190   0.00000   0.00004   0.00004   0.00009   3.02198
   D199       1.97297   0.00000   0.00007   0.00000   0.00007   1.97304
   D200      -2.26468   0.00000   0.00007   0.00000   0.00007  -2.26461
   D201      -0.13787   0.00000   0.00007   0.00000   0.00007  -0.13781
   D202      -1.44474   0.00000   0.00003  -0.00004  -0.00002  -1.44476
   D203       0.57596   0.00000   0.00004  -0.00005  -0.00001   0.57594
   D204       2.65472   0.00000   0.00004  -0.00005  -0.00002   2.65470
   D205       1.72411   0.00000   0.00010  -0.00003   0.00006   1.72418
   D206      -2.53837   0.00000   0.00011  -0.00004   0.00007  -2.53831
   D207      -0.45961   0.00000   0.00011  -0.00004   0.00006  -0.45955
   D208       0.69913   0.00000  -0.00001   0.00009   0.00008   0.69921
   D209      -2.51053   0.00000   0.00003   0.00007   0.00010  -2.51043
   D210      -1.36976   0.00000  -0.00002   0.00010   0.00007  -1.36969
   D211       1.70377   0.00000   0.00001   0.00008   0.00009   1.70386
   D212       2.85747   0.00000  -0.00002   0.00010   0.00008   2.85755
   D213      -0.35218   0.00000   0.00002   0.00008   0.00010  -0.35208
   D214       1.00563   0.00000  -0.00001  -0.00010  -0.00012   1.00551
   D215      -2.06306   0.00000  -0.00005  -0.00008  -0.00013  -2.06319
   D216       0.00053   0.00000  -0.00003   0.00003   0.00000   0.00053
   D217      -2.92210   0.00000   0.00002  -0.00003  -0.00001  -2.92211
   D218       3.07182   0.00000   0.00001   0.00001   0.00002   3.07184
   D219       0.14918   0.00000   0.00006  -0.00004   0.00001   0.14920
   D220      -2.44821   0.00000  -0.00018  -0.00014  -0.00032  -2.44853
   D221      -0.36062   0.00000  -0.00018  -0.00014  -0.00032  -0.36094
   D222       1.71795   0.00000  -0.00014  -0.00014  -0.00028   1.71766
   D223       0.90954   0.00000  -0.00014  -0.00019  -0.00033   0.90922
   D224       2.99713   0.00000  -0.00013  -0.00019  -0.00032   2.99681
   D225      -1.20749   0.00000  -0.00010  -0.00019  -0.00029  -1.20777
         Item               Value     Threshold  Converged?
 Maximum Force            0.000010     0.000450     YES
 RMS     Force            0.000001     0.000300     YES
 Maximum Displacement     0.001012     0.001800     YES
 RMS     Displacement     0.000204     0.001200     YES
 Predicted change in Energy=-6.284492D-09
 Optimization completed.
    -- Stationary point found.
                           ----------------------------
                           !   Optimized Parameters   !
                           ! (Angstroms and Degrees)  !
 --------------------------                            --------------------------
 ! Name  Definition              Value          Derivative Info.                !
 --------------------------------------------------------------------------------
 ! X1    R(1,-1)                 4.4898         -DE/DX =    0.0                 !
 ! Y1    R(1,-2)                -0.4909         -DE/DX =    0.0                 !
 ! Z1    R(1,-3)                 3.9556         -DE/DX =    0.0                 !
 ! X8    R(8,-1)                 5.3966         -DE/DX =    0.0                 !
 ! Y8    R(8,-2)                 0.6383         -DE/DX =    0.0                 !
 ! Z8    R(8,-3)                 0.2697         -DE/DX =    0.0                 !
 ! X14   R(14,-1)                3.8156         -DE/DX =    0.0                 !
 ! Y14   R(14,-2)               -4.0437         -DE/DX =    0.0                 !
 ! Z14   R(14,-3)               -2.0334         -DE/DX =    0.0                 !
 ! X21   R(21,-1)               -3.2485         -DE/DX =    0.0                 !
 ! Y21   R(21,-2)               -4.9683         -DE/DX =    0.0                 !
 ! Z21   R(21,-3)                2.1668         -DE/DX =    0.0                 !
 ! R1    R(1,2)                  1.5507         -DE/DX =    0.0                 !
 ! R2    R(1,29)                 1.0962         -DE/DX =    0.0                 !
 ! R3    R(1,30)                 1.0956         -DE/DX =    0.0                 !
 ! R4    R(1,31)                 1.0989         -DE/DX =    0.0                 !
 ! R5    R(2,3)                  1.5037         -DE/DX =    0.0                 !
 ! R6    R(2,32)                 1.0952         -DE/DX =    0.0                 !
 ! R7    R(2,33)                 1.1005         -DE/DX =    0.0                 !
 ! R8    R(3,4)                  1.3869         -DE/DX =    0.0                 !
 ! R9    R(3,5)                  1.4044         -DE/DX =    0.0                 !
 ! R10   R(4,7)                  1.4068         -DE/DX =    0.0                 !
 ! R11   R(4,34)                 1.0807         -DE/DX =    0.0                 !
 ! R12   R(5,6)                  1.3733         -DE/DX =    0.0                 !
 ! R13   R(5,35)                 1.0116         -DE/DX =    0.0                 !
 ! R14   R(6,7)                  1.341          -DE/DX =    0.0                 !
 ! R15   R(6,36)                 1.0775         -DE/DX =    0.0                 !
 ! R16   R(7,28)                 2.1959         -DE/DX =    0.0                 !
 ! R17   R(8,9)                  1.5445         -DE/DX =    0.0                 !
 ! R18   R(8,37)                 1.0974         -DE/DX =    0.0                 !
 ! R19   R(8,38)                 1.0994         -DE/DX =    0.0                 !
 ! R20   R(8,39)                 1.0984         -DE/DX =    0.0                 !
 ! R21   R(9,10)                 1.5485         -DE/DX =    0.0                 !
 ! R22   R(9,40)                 1.0993         -DE/DX =    0.0                 !
 ! R23   R(9,41)                 1.0969         -DE/DX =    0.0                 !
 ! R24   R(10,11)                1.5266         -DE/DX =    0.0                 !
 ! R25   R(10,42)                1.096          -DE/DX =    0.0                 !
 ! R26   R(10,43)                1.0993         -DE/DX =    0.0                 !
 ! R27   R(11,12)                1.2761         -DE/DX =    0.0                 !
 ! R28   R(11,13)                1.3359         -DE/DX =    0.0                 !
 ! R29   R(12,61)                2.1416         -DE/DX =    0.0                 !
 ! R30   R(13,62)                1.3717         -DE/DX =    0.0                 !
 ! R31   R(14,15)                1.5431         -DE/DX =    0.0                 !
 ! R32   R(14,44)                1.0963         -DE/DX =    0.0                 !
 ! R33   R(14,45)                1.0956         -DE/DX =    0.0                 !
 ! R34   R(14,46)                1.0973         -DE/DX =    0.0                 !
 ! R35   R(15,16)                1.5062         -DE/DX =    0.0                 !
 ! R36   R(15,47)                1.1004         -DE/DX =    0.0                 !
 ! R37   R(15,48)                1.1008         -DE/DX =    0.0                 !
 ! R38   R(16,17)                1.3865         -DE/DX =    0.0                 !
 ! R39   R(16,18)                1.4057         -DE/DX =    0.0                 !
 ! R40   R(17,20)                1.4056         -DE/DX =    0.0                 !
 ! R41   R(17,49)                1.0769         -DE/DX =    0.0                 !
 ! R42   R(18,19)                1.3733         -DE/DX =    0.0                 !
 ! R43   R(18,50)                1.0122         -DE/DX =    0.0                 !
 ! R44   R(19,20)                1.34           -DE/DX =    0.0                 !
 ! R45   R(19,51)                1.0774         -DE/DX =    0.0                 !
 ! R46   R(20,28)                2.1515         -DE/DX =    0.0                 !
 ! R47   R(21,22)                1.5442         -DE/DX =    0.0                 !
 ! R48   R(21,52)                1.0968         -DE/DX =    0.0                 !
 ! R49   R(21,53)                1.0966         -DE/DX =    0.0                 !
 ! R50   R(21,54)                1.0957         -DE/DX =    0.0                 !
 ! R51   R(22,23)                1.5052         -DE/DX =    0.0                 !
 ! R52   R(22,55)                1.0999         -DE/DX =    0.0                 !
 ! R53   R(22,56)                1.1            -DE/DX =    0.0                 !
 ! R54   R(23,24)                1.3876         -DE/DX =    0.0                 !
 ! R55   R(23,25)                1.4041         -DE/DX =    0.0                 !
 ! R56   R(24,27)                1.4016         -DE/DX =    0.0                 !
 ! R57   R(24,57)                1.0774         -DE/DX =    0.0                 !
 ! R58   R(25,26)                1.3766         -DE/DX =    0.0                 !
 ! R59   R(25,58)                1.0123         -DE/DX =    0.0                 !
 ! R60   R(26,27)                1.3372         -DE/DX =    0.0                 !
 ! R61   R(26,59)                1.0776         -DE/DX =    0.0                 !
 ! R62   R(27,28)                2.1401         -DE/DX =    0.0                 !
 ! R63   R(28,60)                2.0303         -DE/DX =    0.0                 !
 ! R64   R(28,64)                2.3801         -DE/DX =    0.0                 !
 ! R65   R(28,68)                2.297          -DE/DX =    0.0                 !
 ! R66   R(60,61)                0.9849         -DE/DX =    0.0                 !
 ! R67   R(60,62)                1.0982         -DE/DX =    0.0                 !
 ! R68   R(63,64)                1.268          -DE/DX =    0.0                 !
 ! R69   R(63,65)                1.3671         -DE/DX =    0.0                 !
 ! R70   R(63,78)                1.518          -DE/DX =    0.0                 !
 ! R71   R(65,66)                1.465          -DE/DX =    0.0                 !
 ! R72   R(65,72)                1.0129         -DE/DX =    0.0                 !
 ! R73   R(66,67)                1.5357         -DE/DX =    0.0                 !
 ! R74   R(66,70)                1.0976         -DE/DX =    0.0                 !
 ! R75   R(66,71)                1.0951         -DE/DX =    0.0                 !
 ! R76   R(67,68)                1.2766         -DE/DX =    0.0                 !
 ! R77   R(67,69)                1.3496         -DE/DX =    0.0                 !
 ! R78   R(69,73)                1.0149         -DE/DX =    0.0                 !
 ! R79   R(69,74)                1.476          -DE/DX =    0.0                 !
 ! R80   R(74,75)                1.0949         -DE/DX =    0.0                 !
 ! R81   R(74,76)                1.0918         -DE/DX =    0.0                 !
 ! R82   R(74,77)                1.0964         -DE/DX =    0.0                 !
 ! R83   R(78,79)                1.0965         -DE/DX =    0.0                 !
 ! R84   R(78,80)                1.0946         -DE/DX =    0.0                 !
 ! R85   R(78,81)                1.0948         -DE/DX =    0.0                 !
 ! A1    A(2,1,29)             110.2268         -DE/DX =    0.0                 !
 ! A2    A(2,1,30)             110.8908         -DE/DX =    0.0                 !
 ! A3    A(2,1,31)             111.9023         -DE/DX =    0.0                 !
 ! A4    A(29,1,30)            108.1826         -DE/DX =    0.0                 !
 ! A5    A(29,1,31)            107.3429         -DE/DX =    0.0                 !
 ! A6    A(30,1,31)            108.1488         -DE/DX =    0.0                 !
 ! A7    A(1,2,3)              113.8362         -DE/DX =    0.0                 !
 ! A8    A(1,2,32)             109.4038         -DE/DX =    0.0                 !
 ! A9    A(1,2,33)             109.2354         -DE/DX =    0.0                 !
 ! A10   A(3,2,32)             107.7215         -DE/DX =    0.0                 !
 ! A11   A(3,2,33)             109.991          -DE/DX =    0.0                 !
 ! A12   A(32,2,33)            106.3769         -DE/DX =    0.0                 !
 ! A13   A(2,3,4)              132.0229         -DE/DX =    0.0                 !
 ! A14   A(2,3,5)              123.017          -DE/DX =    0.0                 !
 ! A15   A(4,3,5)              104.9601         -DE/DX =    0.0                 !
 ! A16   A(3,4,7)              109.783          -DE/DX =    0.0                 !
 ! A17   A(3,4,34)             128.4966         -DE/DX =    0.0                 !
 ! A18   A(7,4,34)             121.7152         -DE/DX =    0.0                 !
 ! A19   A(3,5,6)              108.6288         -DE/DX =    0.0                 !
 ! A20   A(3,5,35)             125.5403         -DE/DX =    0.0                 !
 ! A21   A(6,5,35)             125.8262         -DE/DX =    0.0                 !
 ! A22   A(5,6,7)              110.1717         -DE/DX =    0.0                 !
 ! A23   A(5,6,36)             123.8723         -DE/DX =    0.0                 !
 ! A24   A(7,6,36)             125.9552         -DE/DX =    0.0                 !
 ! A25   A(4,7,6)              106.4563         -DE/DX =    0.0                 !
 ! A26   A(4,7,28)             127.1216         -DE/DX =    0.0                 !
 ! A27   A(6,7,28)             126.3928         -DE/DX =    0.0                 !
 ! A28   A(9,8,37)             110.8922         -DE/DX =    0.0                 !
 ! A29   A(9,8,38)             110.8426         -DE/DX =    0.0                 !
 ! A30   A(9,8,39)             110.8288         -DE/DX =    0.0                 !
 ! A31   A(37,8,38)            108.2512         -DE/DX =    0.0                 !
 ! A32   A(37,8,39)            108.0416         -DE/DX =    0.0                 !
 ! A33   A(38,8,39)            107.8663         -DE/DX =    0.0                 !
 ! A34   A(8,9,10)             112.9201         -DE/DX =    0.0                 !
 ! A35   A(8,9,40)             109.5882         -DE/DX =    0.0                 !
 ! A36   A(8,9,41)             109.5119         -DE/DX =    0.0                 !
 ! A37   A(10,9,40)            108.9063         -DE/DX =    0.0                 !
 ! A38   A(10,9,41)            108.3117         -DE/DX =    0.0                 !
 ! A39   A(40,9,41)            107.4475         -DE/DX =    0.0                 !
 ! A40   A(9,10,11)            111.3091         -DE/DX =    0.0                 !
 ! A41   A(9,10,42)            111.2189         -DE/DX =    0.0                 !
 ! A42   A(9,10,43)            109.0886         -DE/DX =    0.0                 !
 ! A43   A(11,10,42)           109.0257         -DE/DX =    0.0                 !
 ! A44   A(11,10,43)           108.1555         -DE/DX =    0.0                 !
 ! A45   A(42,10,43)           107.9349         -DE/DX =    0.0                 !
 ! A46   A(10,11,12)           120.5465         -DE/DX =    0.0                 !
 ! A47   A(10,11,13)           116.9721         -DE/DX =    0.0                 !
 ! A48   A(12,11,13)           122.4473         -DE/DX =    0.0                 !
 ! A49   A(11,12,61)           104.2391         -DE/DX =    0.0                 !
 ! A50   A(11,13,62)           105.3009         -DE/DX =    0.0                 !
 ! A51   A(15,14,44)           111.0453         -DE/DX =    0.0                 !
 ! A52   A(15,14,45)           110.1481         -DE/DX =    0.0                 !
 ! A53   A(15,14,46)           111.2764         -DE/DX =    0.0                 !
 ! A54   A(44,14,45)           108.0492         -DE/DX =    0.0                 !
 ! A55   A(44,14,46)           108.3901         -DE/DX =    0.0                 !
 ! A56   A(45,14,46)           107.8119         -DE/DX =    0.0                 !
 ! A57   A(14,15,16)           113.2443         -DE/DX =    0.0                 !
 ! A58   A(14,15,47)           108.9385         -DE/DX =    0.0                 !
 ! A59   A(14,15,48)           109.2825         -DE/DX =    0.0                 !
 ! A60   A(16,15,47)           109.1059         -DE/DX =    0.0                 !
 ! A61   A(16,15,48)           109.6017         -DE/DX =    0.0                 !
 ! A62   A(47,15,48)           106.4394         -DE/DX =    0.0                 !
 ! A63   A(15,16,17)           132.9711         -DE/DX =    0.0                 !
 ! A64   A(15,16,18)           122.3955         -DE/DX =    0.0                 !
 ! A65   A(17,16,18)           104.6246         -DE/DX =    0.0                 !
 ! A66   A(16,17,20)           109.8998         -DE/DX =    0.0                 !
 ! A67   A(16,17,49)           128.6977         -DE/DX =    0.0                 !
 ! A68   A(20,17,49)           121.3651         -DE/DX =    0.0                 !
 ! A69   A(16,18,19)           108.9767         -DE/DX =    0.0                 !
 ! A70   A(16,18,50)           125.3899         -DE/DX =    0.0                 !
 ! A71   A(19,18,50)           125.6072         -DE/DX =    0.0                 !
 ! A72   A(18,19,20)           109.822          -DE/DX =    0.0                 !
 ! A73   A(18,19,51)           125.2913         -DE/DX =    0.0                 !
 ! A74   A(20,19,51)           124.8439         -DE/DX =    0.0                 !
 ! A75   A(17,20,19)           106.6754         -DE/DX =    0.0                 !
 ! A76   A(17,20,28)           126.0267         -DE/DX =    0.0                 !
 ! A77   A(19,20,28)           125.8466         -DE/DX =    0.0                 !
 ! A78   A(22,21,52)           111.2706         -DE/DX =    0.0                 !
 ! A79   A(22,21,53)           111.1787         -DE/DX =    0.0                 !
 ! A80   A(22,21,54)           110.3148         -DE/DX =    0.0                 !
 ! A81   A(52,21,53)           108.3            -DE/DX =    0.0                 !
 ! A82   A(52,21,54)           107.5476         -DE/DX =    0.0                 !
 ! A83   A(53,21,54)           108.0946         -DE/DX =    0.0                 !
 ! A84   A(21,22,23)           112.2357         -DE/DX =    0.0                 !
 ! A85   A(21,22,55)           109.3133         -DE/DX =    0.0                 !
 ! A86   A(21,22,56)           109.2228         -DE/DX =    0.0                 !
 ! A87   A(23,22,55)           109.566          -DE/DX =    0.0                 !
 ! A88   A(23,22,56)           109.9828         -DE/DX =    0.0                 !
 ! A89   A(55,22,56)           106.3442         -DE/DX =    0.0                 !
 ! A90   A(22,23,24)           131.9023         -DE/DX =    0.0                 !
 ! A91   A(22,23,25)           123.4504         -DE/DX =    0.0                 !
 ! A92   A(24,23,25)           104.6461         -DE/DX =    0.0                 !
 ! A93   A(23,24,27)           109.8812         -DE/DX =    0.0                 !
 ! A94   A(23,24,57)           128.8893         -DE/DX =    0.0                 !
 ! A95   A(27,24,57)           121.2294         -DE/DX =    0.0                 !
 ! A96   A(23,25,26)           108.8489         -DE/DX =    0.0                 !
 ! A97   A(23,25,58)           125.5017         -DE/DX =    0.0                 !
 ! A98   A(26,25,58)           125.6424         -DE/DX =    0.0                 !
 ! A99   A(25,26,27)           109.7471         -DE/DX =    0.0                 !
 ! A100  A(25,26,59)           125.4361         -DE/DX =    0.0                 !
 ! A101  A(27,26,59)           124.8014         -DE/DX =    0.0                 !
 ! A102  A(24,27,26)           106.8748         -DE/DX =    0.0                 !
 ! A103  A(24,27,28)           126.7363         -DE/DX =    0.0                 !
 ! A104  A(26,27,28)           125.5309         -DE/DX =    0.0                 !
 ! A105  A(7,28,20)             98.1857         -DE/DX =    0.0                 !
 ! A106  A(7,28,27)             89.3917         -DE/DX =    0.0                 !
 ! A107  A(7,28,60)             96.4489         -DE/DX =    0.0                 !
 ! A108  A(7,28,64)            172.17           -DE/DX =    0.0                 !
 ! A109  A(7,28,68)             95.3194         -DE/DX =    0.0                 !
 ! A110  A(20,28,27)            98.7733         -DE/DX =    0.0                 !
 ! A111  A(20,28,60)            92.4528         -DE/DX =    0.0                 !
 ! A112  A(20,28,64)            85.1576         -DE/DX =    0.0                 !
 ! A113  A(20,28,68)           165.9307         -DE/DX =    0.0                 !
 ! A114  A(27,28,60)           166.4971         -DE/DX =    0.0                 !
 ! A115  A(27,28,64)            83.0853         -DE/DX =    0.0                 !
 ! A116  A(27,28,68)            85.256          -DE/DX =    0.0                 !
 ! A117  A(60,28,64)            90.4562         -DE/DX =    0.0                 !
 ! A118  A(60,28,68)            82.0956         -DE/DX =    0.0                 !
 ! A119  A(64,28,68)            81.9409         -DE/DX =    0.0                 !
 ! A120  A(28,60,61)           120.9747         -DE/DX =    0.0                 !
 ! A121  A(28,60,62)           124.5806         -DE/DX =    0.0                 !
 ! A122  A(61,60,62)           100.978          -DE/DX =    0.0                 !
 ! A123  A(12,61,60)           120.0257         -DE/DX =    0.0                 !
 ! A124  A(13,62,60)           165.9211         -DE/DX =    0.0                 !
 ! A125  A(64,63,65)           122.0975         -DE/DX =    0.0                 !
 ! A126  A(64,63,78)           121.1566         -DE/DX =    0.0                 !
 ! A127  A(65,63,78)           116.7373         -DE/DX =    0.0                 !
 ! A128  A(28,64,63)           131.7323         -DE/DX =    0.0                 !
 ! A129  A(63,65,66)           122.9261         -DE/DX =    0.0                 !
 ! A130  A(63,65,72)           118.6185         -DE/DX =    0.0                 !
 ! A131  A(66,65,72)           118.4375         -DE/DX =    0.0                 !
 ! A132  A(65,66,67)           113.4695         -DE/DX =    0.0                 !
 ! A133  A(65,66,70)           109.0376         -DE/DX =    0.0                 !
 ! A134  A(65,66,71)           108.9905         -DE/DX =    0.0                 !
 ! A135  A(67,66,70)           104.3104         -DE/DX =    0.0                 !
 ! A136  A(67,66,71)           111.6759         -DE/DX =    0.0                 !
 ! A137  A(70,66,71)           109.1854         -DE/DX =    0.0                 !
 ! A138  A(66,67,68)           120.243          -DE/DX =    0.0                 !
 ! A139  A(66,67,69)           116.3895         -DE/DX =    0.0                 !
 ! A140  A(68,67,69)           123.2447         -DE/DX =    0.0                 !
 ! A141  A(28,68,67)           118.7808         -DE/DX =    0.0                 !
 ! A142  A(67,69,73)           118.2247         -DE/DX =    0.0                 !
 ! A143  A(67,69,74)           123.8117         -DE/DX =    0.0                 !
 ! A144  A(73,69,74)           116.8356         -DE/DX =    0.0                 !
 ! A145  A(69,74,75)           109.6889         -DE/DX =    0.0                 !
 ! A146  A(69,74,76)           108.572          -DE/DX =    0.0                 !
 ! A147  A(69,74,77)           109.1293         -DE/DX =    0.0                 !
 ! A148  A(75,74,76)           109.4921         -DE/DX =    0.0                 !
 ! A149  A(75,74,77)           110.5905         -DE/DX =    0.0                 !
 ! A150  A(76,74,77)           109.3348         -DE/DX =    0.0                 !
 ! A151  A(63,78,79)           109.1168         -DE/DX =    0.0                 !
 ! A152  A(63,78,80)           109.099          -DE/DX =    0.0                 !
 ! A153  A(63,78,81)           113.2685         -DE/DX =    0.0                 !
 ! A154  A(79,78,80)           107.5156         -DE/DX =    0.0                 !
 ! A155  A(79,78,81)           108.4777         -DE/DX =    0.0                 !
 ! A156  A(80,78,81)           109.2035         -DE/DX =    0.0                 !
 ! D1    D(29,1,2,3)           178.224          -DE/DX =    0.0                 !
 ! D2    D(29,1,2,32)           57.6646         -DE/DX =    0.0                 !
 ! D3    D(29,1,2,33)          -58.4082         -DE/DX =    0.0                 !
 ! D4    D(30,1,2,3)            58.4495         -DE/DX =    0.0                 !
 ! D5    D(30,1,2,32)          -62.1099         -DE/DX =    0.0                 !
 ! D6    D(30,1,2,33)         -178.1827         -DE/DX =    0.0                 !
 ! D7    D(31,1,2,3)           -62.4005         -DE/DX =    0.0                 !
 ! D8    D(31,1,2,32)          177.0401         -DE/DX =    0.0                 !
 ! D9    D(31,1,2,33)           60.9673         -DE/DX =    0.0                 !
 ! D10   D(1,2,3,4)           -121.7558         -DE/DX =    0.0                 !
 ! D11   D(1,2,3,5)             58.3546         -DE/DX =    0.0                 !
 ! D12   D(32,2,3,4)            -0.2572         -DE/DX =    0.0                 !
 ! D13   D(32,2,3,5)           179.8531         -DE/DX =    0.0                 !
 ! D14   D(33,2,3,4)           115.2885         -DE/DX =    0.0                 !
 ! D15   D(33,2,3,5)           -64.6012         -DE/DX =    0.0                 !
 ! D16   D(2,3,4,7)           -179.807          -DE/DX =    0.0                 !
 ! D17   D(2,3,4,34)             1.0263         -DE/DX =    0.0                 !
 ! D18   D(5,3,4,7)              0.0972         -DE/DX =    0.0                 !
 ! D19   D(5,3,4,34)          -179.0694         -DE/DX =    0.0                 !
 ! D20   D(2,3,5,6)            179.8421         -DE/DX =    0.0                 !
 ! D21   D(2,3,5,35)            -0.9122         -DE/DX =    0.0                 !
 ! D22   D(4,3,5,6)             -0.0731         -DE/DX =    0.0                 !
 ! D23   D(4,3,5,35)           179.1726         -DE/DX =    0.0                 !
 ! D24   D(3,4,7,6)             -0.086          -DE/DX =    0.0                 !
 ! D25   D(3,4,7,28)           178.0351         -DE/DX =    0.0                 !
 ! D26   D(34,4,7,6)           179.1473         -DE/DX =    0.0                 !
 ! D27   D(34,4,7,28)           -2.7316         -DE/DX =    0.0                 !
 ! D28   D(3,5,6,7)              0.0221         -DE/DX =    0.0                 !
 ! D29   D(3,5,6,36)          -179.6862         -DE/DX =    0.0                 !
 ! D30   D(35,5,6,7)          -179.2208         -DE/DX =    0.0                 !
 ! D31   D(35,5,6,36)            1.0708         -DE/DX =    0.0                 !
 ! D32   D(5,6,7,4)              0.0382         -DE/DX =    0.0                 !
 ! D33   D(5,6,7,28)          -178.1007         -DE/DX =    0.0                 !
 ! D34   D(36,6,7,4)           179.739          -DE/DX =    0.0                 !
 ! D35   D(36,6,7,28)            1.6001         -DE/DX =    0.0                 !
 ! D36   D(4,7,28,20)          111.8788         -DE/DX =    0.0                 !
 ! D37   D(4,7,28,27)         -149.345          -DE/DX =    0.0                 !
 ! D38   D(4,7,28,60)           18.4521         -DE/DX =    0.0                 !
 ! D39   D(4,7,28,64)         -133.2847         -DE/DX =    0.0                 !
 ! D40   D(4,7,28,68)          -64.1666         -DE/DX =    0.0                 !
 ! D41   D(6,7,28,20)          -70.3599         -DE/DX =    0.0                 !
 ! D42   D(6,7,28,27)           28.4164         -DE/DX =    0.0                 !
 ! D43   D(6,7,28,60)         -163.7866         -DE/DX =    0.0                 !
 ! D44   D(6,7,28,64)           44.4766         -DE/DX =    0.0                 !
 ! D45   D(6,7,28,68)          113.5947         -DE/DX =    0.0                 !
 ! D46   D(37,8,9,10)           60.9464         -DE/DX =    0.0                 !
 ! D47   D(37,8,9,40)         -177.4613         -DE/DX =    0.0                 !
 ! D48   D(37,8,9,41)          -59.8328         -DE/DX =    0.0                 !
 ! D49   D(38,8,9,10)          -59.3199         -DE/DX =    0.0                 !
 ! D50   D(38,8,9,40)           62.2724         -DE/DX =    0.0                 !
 ! D51   D(38,8,9,41)          179.9009         -DE/DX =    0.0                 !
 ! D52   D(39,8,9,10)         -179.0603         -DE/DX =    0.0                 !
 ! D53   D(39,8,9,40)          -57.468          -DE/DX =    0.0                 !
 ! D54   D(39,8,9,41)           60.1604         -DE/DX =    0.0                 !
 ! D55   D(8,9,10,11)          -62.1154         -DE/DX =    0.0                 !
 ! D56   D(8,9,10,42)           59.6746         -DE/DX =    0.0                 !
 ! D57   D(8,9,10,43)          178.6157         -DE/DX =    0.0                 !
 ! D58   D(40,9,10,11)         175.908          -DE/DX =    0.0                 !
 ! D59   D(40,9,10,42)         -62.302          -DE/DX =    0.0                 !
 ! D60   D(40,9,10,43)          56.6391         -DE/DX =    0.0                 !
 ! D61   D(41,9,10,11)          59.3449         -DE/DX =    0.0                 !
 ! D62   D(41,9,10,42)        -178.8651         -DE/DX =    0.0                 !
 ! D63   D(41,9,10,43)         -59.924          -DE/DX =    0.0                 !
 ! D64   D(9,10,11,12)         -49.791          -DE/DX =    0.0                 !
 ! D65   D(9,10,11,13)         128.1345         -DE/DX =    0.0                 !
 ! D66   D(42,10,11,12)       -172.8462         -DE/DX =    0.0                 !
 ! D67   D(42,10,11,13)          5.0793         -DE/DX =    0.0                 !
 ! D68   D(43,10,11,12)         70.0327         -DE/DX =    0.0                 !
 ! D69   D(43,10,11,13)       -112.0419         -DE/DX =    0.0                 !
 ! D70   D(10,11,12,61)        171.149          -DE/DX =    0.0                 !
 ! D71   D(13,11,12,61)         -6.66           -DE/DX =    0.0                 !
 ! D72   D(10,11,13,62)       -171.7013         -DE/DX =    0.0                 !
 ! D73   D(12,11,13,62)          6.1815         -DE/DX =    0.0                 !
 ! D74   D(11,12,61,60)          0.1501         -DE/DX =    0.0                 !
 ! D75   D(11,13,62,60)         12.5591         -DE/DX =    0.0                 !
 ! D76   D(44,14,15,16)        -60.0027         -DE/DX =    0.0                 !
 ! D77   D(44,14,15,47)         61.598          -DE/DX =    0.0                 !
 ! D78   D(44,14,15,48)        177.5121         -DE/DX =    0.0                 !
 ! D79   D(45,14,15,16)       -179.6585         -DE/DX =    0.0                 !
 ! D80   D(45,14,15,47)        -58.0578         -DE/DX =    0.0                 !
 ! D81   D(45,14,15,48)         57.8563         -DE/DX =    0.0                 !
 ! D82   D(46,14,15,16)         60.8339         -DE/DX =    0.0                 !
 ! D83   D(46,14,15,47)       -177.5654         -DE/DX =    0.0                 !
 ! D84   D(46,14,15,48)        -61.6512         -DE/DX =    0.0                 !
 ! D85   D(14,15,16,17)         -4.9168         -DE/DX =    0.0                 !
 ! D86   D(14,15,16,18)        173.8302         -DE/DX =    0.0                 !
 ! D87   D(47,15,16,17)       -126.4235         -DE/DX =    0.0                 !
 ! D88   D(47,15,16,18)         52.3236         -DE/DX =    0.0                 !
 ! D89   D(48,15,16,17)        117.3908         -DE/DX =    0.0                 !
 ! D90   D(48,15,16,18)        -63.8622         -DE/DX =    0.0                 !
 ! D91   D(15,16,17,20)        178.6524         -DE/DX =    0.0                 !
 ! D92   D(15,16,17,49)          0.8836         -DE/DX =    0.0                 !
 ! D93   D(18,16,17,20)         -0.2543         -DE/DX =    0.0                 !
 ! D94   D(18,16,17,49)       -178.023          -DE/DX =    0.0                 !
 ! D95   D(15,16,18,19)       -178.671          -DE/DX =    0.0                 !
 ! D96   D(15,16,18,50)         -0.4485         -DE/DX =    0.0                 !
 ! D97   D(17,16,18,19)          0.3815         -DE/DX =    0.0                 !
 ! D98   D(17,16,18,50)        178.604          -DE/DX =    0.0                 !
 ! D99   D(16,17,20,19)          0.034          -DE/DX =    0.0                 !
 ! D100  D(16,17,20,28)       -166.8073         -DE/DX =    0.0                 !
 ! D101  D(49,17,20,19)        177.9946         -DE/DX =    0.0                 !
 ! D102  D(49,17,20,28)         11.1533         -DE/DX =    0.0                 !
 ! D103  D(16,18,19,20)         -0.3806         -DE/DX =    0.0                 !
 ! D104  D(16,18,19,51)        177.3302         -DE/DX =    0.0                 !
 ! D105  D(50,18,19,20)       -178.5983         -DE/DX =    0.0                 !
 ! D106  D(50,18,19,51)         -0.8875         -DE/DX =    0.0                 !
 ! D107  D(18,19,20,17)          0.2124         -DE/DX =    0.0                 !
 ! D108  D(18,19,20,28)        167.0842         -DE/DX =    0.0                 !
 ! D109  D(51,19,20,17)       -177.5109         -DE/DX =    0.0                 !
 ! D110  D(51,19,20,28)        -10.6391         -DE/DX =    0.0                 !
 ! D111  D(17,20,28,7)         -27.2358         -DE/DX =    0.0                 !
 ! D112  D(17,20,28,27)       -117.886          -DE/DX =    0.0                 !
 ! D113  D(17,20,28,60)         69.6413         -DE/DX =    0.0                 !
 ! D114  D(17,20,28,64)        159.8916         -DE/DX =    0.0                 !
 ! D115  D(17,20,28,68)        136.3562         -DE/DX =    0.0                 !
 ! D116  D(19,20,28,7)         168.371          -DE/DX =    0.0                 !
 ! D117  D(19,20,28,27)         77.7208         -DE/DX =    0.0                 !
 ! D118  D(19,20,28,60)        -94.7519         -DE/DX =    0.0                 !
 ! D119  D(19,20,28,64)         -4.5016         -DE/DX =    0.0                 !
 ! D120  D(19,20,28,68)        -28.037          -DE/DX =    0.0                 !
 ! D121  D(52,21,22,23)        -60.5631         -DE/DX =    0.0                 !
 ! D122  D(52,21,22,55)        177.6578         -DE/DX =    0.0                 !
 ! D123  D(52,21,22,56)         61.6819         -DE/DX =    0.0                 !
 ! D124  D(53,21,22,23)         60.2462         -DE/DX =    0.0                 !
 ! D125  D(53,21,22,55)        -61.5329         -DE/DX =    0.0                 !
 ! D126  D(53,21,22,56)       -177.5088         -DE/DX =    0.0                 !
 ! D127  D(54,21,22,23)       -179.8456         -DE/DX =    0.0                 !
 ! D128  D(54,21,22,55)         58.3753         -DE/DX =    0.0                 !
 ! D129  D(54,21,22,56)        -57.6006         -DE/DX =    0.0                 !
 ! D130  D(21,22,23,24)         21.1917         -DE/DX =    0.0                 !
 ! D131  D(21,22,23,25)       -158.3434         -DE/DX =    0.0                 !
 ! D132  D(55,22,23,24)        142.8264         -DE/DX =    0.0                 !
 ! D133  D(55,22,23,25)        -36.7086         -DE/DX =    0.0                 !
 ! D134  D(56,22,23,24)       -100.6206         -DE/DX =    0.0                 !
 ! D135  D(56,22,23,25)         79.8443         -DE/DX =    0.0                 !
 ! D136  D(22,23,24,27)       -179.1733         -DE/DX =    0.0                 !
 ! D137  D(22,23,24,57)          0.7021         -DE/DX =    0.0                 !
 ! D138  D(25,23,24,27)          0.4257         -DE/DX =    0.0                 !
 ! D139  D(25,23,24,57)       -179.6988         -DE/DX =    0.0                 !
 ! D140  D(22,23,25,26)        179.2178         -DE/DX =    0.0                 !
 ! D141  D(22,23,25,58)          0.1432         -DE/DX =    0.0                 !
 ! D142  D(24,23,25,26)         -0.4246         -DE/DX =    0.0                 !
 ! D143  D(24,23,25,58)       -179.4991         -DE/DX =    0.0                 !
 ! D144  D(23,24,27,26)         -0.2725         -DE/DX =    0.0                 !
 ! D145  D(23,24,27,28)        169.527          -DE/DX =    0.0                 !
 ! D146  D(57,24,27,26)        179.8409         -DE/DX =    0.0                 !
 ! D147  D(57,24,27,28)        -10.3596         -DE/DX =    0.0                 !
 ! D148  D(23,25,26,27)          0.2751         -DE/DX =    0.0                 !
 ! D149  D(23,25,26,59)       -178.3528         -DE/DX =    0.0                 !
 ! D150  D(58,25,26,27)        179.348          -DE/DX =    0.0                 !
 ! D151  D(58,25,26,59)          0.7201         -DE/DX =    0.0                 !
 ! D152  D(25,26,27,24)         -0.0046         -DE/DX =    0.0                 !
 ! D153  D(25,26,27,28)       -169.9612         -DE/DX =    0.0                 !
 ! D154  D(59,26,27,24)        178.6339         -DE/DX =    0.0                 !
 ! D155  D(59,26,27,28)          8.6773         -DE/DX =    0.0                 !
 ! D156  D(24,27,28,7)         -82.7221         -DE/DX =    0.0                 !
 ! D157  D(24,27,28,20)         15.4668         -DE/DX =    0.0                 !
 ! D158  D(24,27,28,60)        161.3753         -DE/DX =    0.0                 !
 ! D159  D(24,27,28,64)         99.4536         -DE/DX =    0.0                 !
 ! D160  D(24,27,28,68)       -178.1109         -DE/DX =    0.0                 !
 ! D161  D(26,27,28,7)          85.2585         -DE/DX =    0.0                 !
 ! D162  D(26,27,28,20)       -176.5526         -DE/DX =    0.0                 !
 ! D163  D(26,27,28,60)        -30.6441         -DE/DX =    0.0                 !
 ! D164  D(26,27,28,64)        -92.5657         -DE/DX =    0.0                 !
 ! D165  D(26,27,28,68)        -10.1302         -DE/DX =    0.0                 !
 ! D166  D(7,28,60,61)          99.2108         -DE/DX =    0.0                 !
 ! D167  D(7,28,60,62)         -33.9114         -DE/DX =    0.0                 !
 ! D168  D(20,28,60,61)          0.6846         -DE/DX =    0.0                 !
 ! D169  D(20,28,60,62)       -132.4375         -DE/DX =    0.0                 !
 ! D170  D(27,28,60,61)       -145.6415         -DE/DX =    0.0                 !
 ! D171  D(27,28,60,62)         81.2364         -DE/DX =    0.0                 !
 ! D172  D(64,28,60,61)        -84.488          -DE/DX =    0.0                 !
 ! D173  D(64,28,60,62)        142.3898         -DE/DX =    0.0                 !
 ! D174  D(68,28,60,61)       -166.2868         -DE/DX =    0.0                 !
 ! D175  D(68,28,60,62)         60.591          -DE/DX =    0.0                 !
 ! D176  D(7,28,64,63)          58.0652         -DE/DX =    0.0                 !
 ! D177  D(20,28,64,63)        173.7117         -DE/DX =    0.0                 !
 ! D178  D(27,28,64,63)         74.2454         -DE/DX =    0.0                 !
 ! D179  D(60,28,64,63)        -93.8654         -DE/DX =    0.0                 !
 ! D180  D(68,28,64,63)        -11.9147         -DE/DX =    0.0                 !
 ! D181  D(7,28,68,67)         119.7537         -DE/DX =    0.0                 !
 ! D182  D(20,28,68,67)        -43.938          -DE/DX =    0.0                 !
 ! D183  D(27,28,68,67)       -151.3021         -DE/DX =    0.0                 !
 ! D184  D(60,28,68,67)         23.9593         -DE/DX =    0.0                 !
 ! D185  D(64,28,68,67)        -67.6324         -DE/DX =    0.0                 !
 ! D186  D(28,60,61,12)       -136.8045         -DE/DX =    0.0                 !
 ! D187  D(62,60,61,12)          5.4505         -DE/DX =    0.0                 !
 ! D188  D(28,60,62,13)        121.5651         -DE/DX =    0.0                 !
 ! D189  D(61,60,62,13)        -18.831          -DE/DX =    0.0                 !
 ! D190  D(65,63,64,28)         51.7052         -DE/DX =    0.0                 !
 ! D191  D(78,63,64,28)       -129.3928         -DE/DX =    0.0                 !
 ! D192  D(64,63,65,66)          4.4407         -DE/DX =    0.0                 !
 ! D193  D(64,63,65,72)       -177.124          -DE/DX =    0.0                 !
 ! D194  D(78,63,65,66)       -174.5071         -DE/DX =    0.0                 !
 ! D195  D(78,63,65,72)          3.9281         -DE/DX =    0.0                 !
 ! D196  D(64,63,78,79)        -65.9153         -DE/DX =    0.0                 !
 ! D197  D(64,63,78,80)         51.285          -DE/DX =    0.0                 !
 ! D198  D(64,63,78,81)        173.142          -DE/DX =    0.0                 !
 ! D199  D(65,63,78,79)        113.0431         -DE/DX =    0.0                 !
 ! D200  D(65,63,78,80)       -129.7565         -DE/DX =    0.0                 !
 ! D201  D(65,63,78,81)         -7.8996         -DE/DX =    0.0                 !
 ! D202  D(63,65,66,67)        -82.7776         -DE/DX =    0.0                 !
 ! D203  D(63,65,66,70)         32.9999         -DE/DX =    0.0                 !
 ! D204  D(63,65,66,71)        152.1042         -DE/DX =    0.0                 !
 ! D205  D(72,65,66,67)         98.7845         -DE/DX =    0.0                 !
 ! D206  D(72,65,66,70)       -145.438          -DE/DX =    0.0                 !
 ! D207  D(72,65,66,71)        -26.3338         -DE/DX =    0.0                 !
 ! D208  D(65,66,67,68)         40.0569         -DE/DX =    0.0                 !
 ! D209  D(65,66,67,69)       -143.8426         -DE/DX =    0.0                 !
 ! D210  D(70,66,67,68)        -78.4816         -DE/DX =    0.0                 !
 ! D211  D(70,66,67,69)         97.6189         -DE/DX =    0.0                 !
 ! D212  D(71,66,67,68)        163.7212         -DE/DX =    0.0                 !
 ! D213  D(71,66,67,69)        -20.1784         -DE/DX =    0.0                 !
 ! D214  D(66,67,68,28)         57.6183         -DE/DX =    0.0                 !
 ! D215  D(69,67,68,28)       -118.2045         -DE/DX =    0.0                 !
 ! D216  D(66,67,69,73)          0.0306         -DE/DX =    0.0                 !
 ! D217  D(66,67,69,74)       -167.4242         -DE/DX =    0.0                 !
 ! D218  D(68,67,69,73)        176.0023         -DE/DX =    0.0                 !
 ! D219  D(68,67,69,74)          8.5475         -DE/DX =    0.0                 !
 ! D220  D(67,69,74,75)       -140.2722         -DE/DX =    0.0                 !
 ! D221  D(67,69,74,76)        -20.6621         -DE/DX =    0.0                 !
 ! D222  D(67,69,74,77)         98.431          -DE/DX =    0.0                 !
 ! D223  D(73,69,74,75)         52.1129         -DE/DX =    0.0                 !
 ! D224  D(73,69,74,76)        171.723          -DE/DX =    0.0                 !
 ! D225  D(73,69,74,77)        -69.1838         -DE/DX =    0.0                 !
 --------------------------------------------------------------------------------
 GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad

 Stoichiometry    C24H43N8O5Zn(1+)
 Framework group  C1[X(C24H43N8O5Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -4.071676    2.539987    3.559478
      2          6           0       -3.329812    1.181516    3.653466
      3          6           0       -2.082303    1.111211    2.816788
      4          6           0       -1.696757    0.256559    1.794772
      5          7           0       -1.006829    2.001244    2.970207
      6          6           0       -0.029467    1.668554    2.064629
      7          7           0       -0.415828    0.612177    1.334444
      8          6           0       -5.230281    0.898731    0.146722
      9          6           0       -5.867219   -0.172435   -0.765642
     10          6           0       -5.239680   -1.575533   -0.577339
     11          6           0       -3.757422   -1.573892   -0.942664
     12          8           0       -3.362825   -1.076580   -2.049695
     13          8           0       -2.909955   -2.072415   -0.038320
     14          6           0       -2.267388    4.237826   -2.983161
     15          6           0       -0.994394    3.840552   -3.759546
     16          6           0       -0.192763    2.764138   -3.075825
     17          6           0       -0.321159    2.122473   -1.853426
     18          7           0        0.931688    2.168319   -3.673058
     19          6           0        1.430576    1.208368   -2.827193
     20          7           0        0.691770    1.158458   -1.710377
     21          6           0        4.685979    4.003301    1.488201
     22          6           0        5.160803    2.624947    1.997493
     23          6           0        4.192422    1.525585    1.652107
     24          6           0        3.202803    1.432622    0.683826
     25          7           0        4.134390    0.301592    2.337730
     26          6           0        3.135265   -0.469318    1.787738
     27          7           0        2.554454    0.193950    0.782327
     28         30           0        0.759440   -0.394874   -0.223311
     29          1           0       -4.985264    2.515603    4.164890
     30          1           0       -4.353547    2.760373    2.523943
     31          1           0       -3.454918    3.370391    3.930479
     32          1           0       -3.997861    0.378548    3.324042
     33          1           0       -3.088776    0.972144    4.706657
     34          1           0       -2.248610   -0.565040    1.360734
     35          1           0       -0.966688    2.766845    3.630251
     36          1           0        0.908249    2.191398    1.973915
     37          1           0       -4.160131    1.010489   -0.069086
     38          1           0       -5.341301    0.626459    1.206095
     39          1           0       -5.711178    1.874956   -0.002507
     40          1           0       -6.945967   -0.234649   -0.563409
     41          1           0       -5.745818    0.121329   -1.815520
     42          1           0       -5.352802   -1.925368    0.455199
     43          1           0       -5.753839   -2.290563   -1.235269
     44          1           0       -2.936600    3.378492   -2.858238
     45          1           0       -2.813195    5.016926   -3.526705
     46          1           0       -2.020838    4.631973   -1.989202
     47          1           0       -1.282077    3.492841   -4.763131
     48          1           0       -0.365544    4.731931   -3.907066
     49          1           0       -1.074730    2.260315   -1.096491
     50          1           0        1.295512    2.391806   -4.590795
     51          1           0        2.265832    0.562675   -3.042068
     52          1           0        4.579957    4.009197    0.396592
     53          1           0        3.720203    4.277514    1.929444
     54          1           0        5.413682    4.778232    1.753614
     55          1           0        5.296461    2.667124    3.088195
     56          1           0        6.149984    2.402328    1.570906
     57          1           0        2.915463    2.155795   -0.061252
     58          1           0        4.721652    0.036754    3.118556
     59          1           0        2.844333   -1.449946    2.126901
     60          8           0       -0.792369   -1.393411   -1.070020
     61          1           0       -1.227535   -1.055513   -1.886360
     62          1           0       -1.657711   -1.783912   -0.518072
     63          6           0        2.982754   -2.517874   -1.579896
     64          8           0        2.282721   -1.467935   -1.704189
     65          7           0        2.440382   -3.710626   -1.189861
     66          6           0        1.003443   -3.900075   -0.976185
     67          6           0        0.525210   -3.440349    0.408889
     68          8           0        0.989446   -2.369824    0.926792
     69          7           0       -0.448690   -4.177811    0.982495
     70          1           0        0.450045   -3.264179   -1.679137
     71          1           0        0.750472   -4.948939   -1.163896
     72          1           0        3.055537   -4.505569   -1.064943
     73          1           0       -0.804058   -4.981658    0.474959
     74          6           0       -1.213728   -3.747568    2.169125
     75          1           0       -1.371671   -4.601591    2.835757
     76          1           0       -0.641506   -2.978416    2.691711
     77          1           0       -2.173700   -3.328579    1.845188
     78          6           0        4.469945   -2.510876   -1.884282
     79          1           0        4.616405   -2.327449   -2.955342
     80          1           0        4.942818   -1.686474   -1.341170
     81          1           0        4.969650   -3.448880   -1.621360
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0968764      0.0727466      0.0660113

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.21921 -19.21346 -19.17329 -19.15174 -19.14304
 Alpha  occ. eigenvalues --  -14.49687 -14.48397 -14.48198 -14.47185 -14.46318
 Alpha  occ. eigenvalues --  -14.44123 -14.43179 -14.42832 -10.41670 -10.40935
 Alpha  occ. eigenvalues --  -10.35985 -10.34982 -10.34885 -10.34264 -10.34209
 Alpha  occ. eigenvalues --  -10.33465 -10.32768 -10.32069 -10.31268 -10.29993
 Alpha  occ. eigenvalues --  -10.29991 -10.29242 -10.29216 -10.28748 -10.28426
 Alpha  occ. eigenvalues --  -10.27948 -10.27097 -10.25553 -10.25286 -10.22730
 Alpha  occ. eigenvalues --  -10.22652 -10.22115  -1.14937  -1.13686  -1.13330
 Alpha  occ. eigenvalues --   -1.12059  -1.11710  -1.09167  -1.03730  -1.03570
 Alpha  occ. eigenvalues --   -1.02565  -0.99145  -0.99120  -0.97862  -0.97501
 Alpha  occ. eigenvalues --   -0.89826  -0.88280  -0.87816  -0.87144  -0.83170
 Alpha  occ. eigenvalues --   -0.82933  -0.82776  -0.81739  -0.81627  -0.78092
 Alpha  occ. eigenvalues --   -0.74378  -0.74227  -0.73220  -0.72701  -0.72509
 Alpha  occ. eigenvalues --   -0.71982  -0.71014  -0.70619  -0.69324  -0.69117
 Alpha  occ. eigenvalues --   -0.68380  -0.67863  -0.65648  -0.65225  -0.64968
 Alpha  occ. eigenvalues --   -0.64764  -0.64550  -0.64435  -0.63949  -0.63118
 Alpha  occ. eigenvalues --   -0.63010  -0.62784  -0.60543  -0.58850  -0.57778
 Alpha  occ. eigenvalues --   -0.56941  -0.56328  -0.55978  -0.55312  -0.55180
 Alpha  occ. eigenvalues --   -0.54974  -0.54833  -0.54340  -0.53981  -0.53836
 Alpha  occ. eigenvalues --   -0.53630  -0.52801  -0.52714  -0.52577  -0.52049
 Alpha  occ. eigenvalues --   -0.51765  -0.51505  -0.51320  -0.51265  -0.51138
 Alpha  occ. eigenvalues --   -0.50915  -0.50682  -0.49978  -0.49751  -0.49413
 Alpha  occ. eigenvalues --   -0.48375  -0.47647  -0.47004  -0.46658  -0.46225
 Alpha  occ. eigenvalues --   -0.46089  -0.45922  -0.45687  -0.45268  -0.45173
 Alpha  occ. eigenvalues --   -0.45042  -0.44473  -0.44154  -0.43650  -0.43485
 Alpha  occ. eigenvalues --   -0.43205  -0.42867  -0.42254  -0.40424  -0.40165
 Alpha  occ. eigenvalues --   -0.39135  -0.39134  -0.38788  -0.38449  -0.37995
 Alpha  occ. eigenvalues --   -0.37717  -0.37513  -0.36920  -0.35700  -0.35476
 Alpha  occ. eigenvalues --   -0.35154  -0.33899  -0.32549  -0.31995  -0.30601
 Alpha  occ. eigenvalues --   -0.30507  -0.28551
 Alpha virt. eigenvalues --   -0.10615  -0.09740  -0.09048  -0.08521  -0.08280
 Alpha virt. eigenvalues --   -0.06102  -0.04519  -0.04071  -0.03908  -0.03183
 Alpha virt. eigenvalues --   -0.02835  -0.02278  -0.01805  -0.01623  -0.00168
 Alpha virt. eigenvalues --    0.00056   0.00331   0.01321   0.02529   0.02824
 Alpha virt. eigenvalues --    0.03040   0.03888   0.03981   0.04573   0.04982
 Alpha virt. eigenvalues --    0.05523   0.05806   0.06332   0.06590   0.07068
 Alpha virt. eigenvalues --    0.07498   0.07752   0.08054   0.08082   0.08200
 Alpha virt. eigenvalues --    0.08831   0.09020   0.09314   0.09675   0.09832
 Alpha virt. eigenvalues --    0.09991   0.10109   0.10378   0.10740   0.10993
 Alpha virt. eigenvalues --    0.11172   0.11556   0.11706   0.11909   0.12177
 Alpha virt. eigenvalues --    0.12237   0.12451   0.12615   0.12905   0.12984
 Alpha virt. eigenvalues --    0.13115   0.13202   0.13709   0.13950   0.14124
 Alpha virt. eigenvalues --    0.14277   0.14356   0.14759   0.14977   0.15029
 Alpha virt. eigenvalues --    0.15229   0.15916   0.16563   0.16621   0.16943
 Alpha virt. eigenvalues --    0.17160   0.17497   0.17986   0.18289   0.18613
 Alpha virt. eigenvalues --    0.18749   0.19664   0.19815   0.20131   0.20348
 Alpha virt. eigenvalues --    0.20827   0.20913   0.21066   0.21294   0.21436
 Alpha virt. eigenvalues --    0.21970   0.22285   0.22472   0.22548   0.22896
 Alpha virt. eigenvalues --    0.23130   0.23812   0.24281   0.24365   0.24699
 Alpha virt. eigenvalues --    0.24803   0.25030   0.25335   0.25664   0.25920
 Alpha virt. eigenvalues --    0.26370   0.26786   0.27275   0.27706   0.27802
 Alpha virt. eigenvalues --    0.27991   0.28449   0.28521   0.29545   0.30283
 Alpha virt. eigenvalues --    0.30717   0.31420   0.31614   0.32103   0.32693
 Alpha virt. eigenvalues --    0.33066   0.33313   0.33428   0.33953   0.34821
 Alpha virt. eigenvalues --    0.35174   0.35538   0.35845   0.36069   0.36591
 Alpha virt. eigenvalues --    0.36675   0.37077   0.37478   0.37517   0.38026
 Alpha virt. eigenvalues --    0.38370   0.38937   0.39211   0.39415   0.39751
 Alpha virt. eigenvalues --    0.40076   0.40305   0.40810   0.40880   0.41175
 Alpha virt. eigenvalues --    0.41919   0.42415   0.42665   0.43096   0.43424
 Alpha virt. eigenvalues --    0.43886   0.44517   0.45020   0.45372   0.45805
 Alpha virt. eigenvalues --    0.46160   0.46885   0.47366   0.47954   0.48611
 Alpha virt. eigenvalues --    0.49104   0.49745   0.50068   0.50746   0.51636
 Alpha virt. eigenvalues --    0.52147   0.53027   0.53398   0.54165   0.54956
 Alpha virt. eigenvalues --    0.55217   0.55583   0.57174   0.57622   0.58788
 Alpha virt. eigenvalues --    0.60875   0.61843   0.63990   0.64746   0.65617
 Alpha virt. eigenvalues --    0.66560   0.68236   0.69183   0.69744   0.70596
 Alpha virt. eigenvalues --    0.72890   0.73846   0.74241   0.74692   0.75466
 Alpha virt. eigenvalues --    0.75811   0.76782   0.77628   0.77868   0.79337
 Alpha virt. eigenvalues --    0.79765   0.80310   0.82431   0.83080   0.83681
 Alpha virt. eigenvalues --    0.84538   0.86322   0.86598   0.87442   0.88490
 Alpha virt. eigenvalues --    0.89413   0.89969   0.90078   0.90497   0.91717
 Alpha virt. eigenvalues --    0.92852   0.93498   0.94321   0.96487   0.97161
 Alpha virt. eigenvalues --    0.97687   0.98024   0.98770   0.99720   0.99909
 Alpha virt. eigenvalues --    1.00417   1.01082   1.01756   1.02089   1.03000
 Alpha virt. eigenvalues --    1.03062   1.03747   1.04204   1.04648   1.04748
 Alpha virt. eigenvalues --    1.05051   1.05404   1.05827   1.06255   1.06335
 Alpha virt. eigenvalues --    1.07021   1.07264   1.07313   1.08076   1.08361
 Alpha virt. eigenvalues --    1.08999   1.09539   1.10199   1.10808   1.11590
 Alpha virt. eigenvalues --    1.12356   1.12436   1.12859   1.13516   1.15135
 Alpha virt. eigenvalues --    1.15793   1.16434   1.17118   1.17685   1.18311
 Alpha virt. eigenvalues --    1.18679   1.19314   1.19773   1.21344   1.21783
 Alpha virt. eigenvalues --    1.22251   1.23447   1.24775   1.25679   1.28245
 Alpha virt. eigenvalues --    1.28507   1.33220   1.35179   1.36534   1.38347
 Alpha virt. eigenvalues --    1.40604   1.43823   1.44925   1.46347   1.47525
 Alpha virt. eigenvalues --    1.48248   1.48365   1.50083   1.52141   1.54109
 Alpha virt. eigenvalues --    1.55380   1.56400   1.57801   1.64962   1.66561
 Alpha virt. eigenvalues --    1.68667   1.72940   1.77225   1.83834   1.86654
 Alpha virt. eigenvalues --    1.87917   1.90949   1.99667   2.07516  10.02573
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C   -0.628650
     2  C   -0.457128
     3  C    0.385919
     4  C   -0.414226
     5  N   -0.412841
     6  C   -0.119779
     7  N   -0.240966
     8  C   -0.635167
     9  C   -0.324728
    10  C   -0.404906
    11  C    0.238159
    12  O   -0.405131
    13  O   -0.547698
    14  C   -0.619866
    15  C   -0.421843
    16  C    0.343823
    17  C   -0.329628
    18  N   -0.393458
    19  C   -0.118439
    20  N   -0.280273
    21  C   -0.613292
    22  C   -0.427365
    23  C    0.335105
    24  C   -0.354741
    25  N   -0.396991
    26  C   -0.127552
    27  N   -0.249117
    28  Zn   1.025174
    29  H    0.227172
    30  H    0.234018
    31  H    0.178275
    32  H    0.227935
    33  H    0.210870
    34  H    0.351406
    35  H    0.325251
    36  H    0.266309
    37  H    0.214370
    38  H    0.178956
    39  H    0.195229
    40  H    0.183748
    41  H    0.212876
    42  H    0.190174
    43  H    0.207336
    44  H    0.225662
    45  H    0.218400
    46  H    0.197739
    47  H    0.219132
    48  H    0.216126
    49  H    0.274423
    50  H    0.330399
    51  H    0.292059
    52  H    0.204950
    53  H    0.202911
    54  H    0.224051
    55  H    0.206038
    56  H    0.230500
    57  H    0.282055
    58  H    0.330786
    59  H    0.301543
    60  O   -0.865433
    61  H    0.425753
    62  H    0.432179
    63  C    0.381925
    64  O   -0.362967
    65  N   -0.349408
    66  C   -0.469506
    67  C    0.430103
    68  O   -0.416724
    69  N   -0.350495
    70  H    0.333124
    71  H    0.218146
    72  H    0.319913
    73  H    0.320990
    74  C   -0.578810
    75  H    0.216448
    76  H    0.250432
    77  H    0.296225
    78  C   -0.717403
    79  H    0.253992
    80  H    0.253155
    81  H    0.213266
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.010815
     2  C   -0.018323
     3  C    0.385919
     4  C   -0.062819
     5  N   -0.087590
     6  C    0.146530
     7  N   -0.240966
     8  C   -0.046612
     9  C    0.071897
    10  C   -0.007395
    11  C    0.238159
    12  O   -0.405131
    13  O   -0.547698
    14  C    0.021933
    15  C    0.013415
    16  C    0.343823
    17  C   -0.055206
    18  N   -0.063058
    19  C    0.173620
    20  N   -0.280273
    21  C    0.018620
    22  C    0.009173
    23  C    0.335105
    24  C   -0.072686
    25  N   -0.066206
    26  C    0.173991
    27  N   -0.249117
    28  Zn   1.025174
    60  O   -0.007501
    63  C    0.381925
    64  O   -0.362967
    65  N   -0.029495
    66  C    0.081764
    67  C    0.430103
    68  O   -0.416724
    69  N   -0.029505
    74  C    0.184296
    78  C    0.003010
 Electronic spatial extent (au):  <R**2>=          20214.1269
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             11.9099    Y=              1.1311    Z=              3.6576  Tot=             12.5101
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -166.3019   YY=           -149.9793   ZZ=           -171.0433
   XY=            -12.9391   XZ=            -10.4637   YZ=             -1.5182
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.8604   YY=             12.4622   ZZ=             -8.6018
   XY=            -12.9391   XZ=            -10.4637   YZ=             -1.5182
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            260.3214  YYY=           -207.8221  ZZZ=            -30.5271  XYY=             85.8128
  XXY=             -7.1552  XXZ=            106.4929  XZZ=             93.6501  YZZ=            111.1077
  YYZ=            -37.7408  XYZ=             39.7965
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -10987.1763 YYYY=          -6389.4864 ZZZZ=          -5056.6775 XXXY=            -22.4162
 XXXZ=            209.5493 YYYX=           -171.3296 YYYZ=              4.1871 ZZZX=           -200.0830
 ZZZY=           -229.2163 XXYY=          -2914.9640 XXZZ=          -2613.4305 YYZZ=          -1845.1641
 XXYZ=            186.4345 YYXZ=            -72.4757 ZZXY=            -66.9938
 N-N= 4.911758858577D+03 E-N=-1.412339393505D+04  KE= 1.859608861245D+03
 1\1\GINC-LONG-70A4001LUX\FOpt\RB3LYP\LANL2DZ\C24H43N8O5Zn1(1+)\LONG\16
 -Jun-2020\0\\# opt b3lyp/lanl2dz geom=connectivity\\5h8x\\1,1\C,4.4897
 97578,-0.4908766947,3.9555902157\C,3.3769365363,0.5630063515,3.7199831
 522\C,2.2380685076,0.0653328073,2.8734884018\C,1.7054841571,0.51695737
 12,1.6751646679\N,1.4621128282,-1.0539704959,3.2161153895\C,0.50930286
 97,-1.241131748,2.2449737583\N,0.6283189506,-0.3035582031,1.2935697642
 \C,5.3965859146,0.6383056872,0.2697152553\C,5.7651073958,1.6261473665,
 -0.8589367385\C,4.7401617673,2.7768372397,-1.0117398222\C,3.3594944642
 ,2.2438884194,-1.3862745428\O,3.2219728823,1.4208226838,-2.3517771198\
 O,2.3306871446,2.6453575614,-0.6346471969\C,3.815572286,-4.0436527063,
 -2.0333533965\C,2.551488072,-4.2327997797,-2.8978923098\C,1.4152267275
 ,-3.3298071977,-2.4950647547\C,1.2472562948,-2.4288281453,-1.454631633
 9\N,0.2194147389,-3.2504995375,-3.229789795\C,-0.6078950799,-2.3278182
 424,-2.6380990083\N,-0.0121391893,-1.812508938,-1.5540619929\C,-3.2484
 980886,-4.9682700862,2.1668103855\C,-4.147535691,-3.7238805697,2.33390
 70274\C,-3.518954098,-2.4850735858,1.7543448672\C,-2.522939306,-2.3088
 464957,0.8043685777\N,-3.8799578883,-1.182915967,2.1360073574\C,-3.108
 6712549,-0.2839285582,1.4345930794\N,-2.2770549361,-0.9414505502,0.619
 611308\Zn,-0.6563550528,-0.0682860376,-0.4717250139\H,5.3021781817,-0.
 0576763233,4.5506822263\H,4.9093145657,-0.8354814976,3.0039555502\H,4.
 115051641,-1.3676086245,4.5019496709\H,3.8051080407,1.4390121742,3.221
 134139\H,2.9980656228,0.9136986219,4.6918981512\H,2.0262604725,1.35198
 2551,1.0687067241\H,1.5933786483,-1.6318025241,4.0360501489\H,-0.22279
 41377,-2.0313731885,2.2663510622\H,4.4282149098,0.1614943506,0.0717401
 404\H,5.3340316802,1.1559292445,1.2376411318\H,6.1533938148,-0.1527899
 519,0.3589084442\H,6.757332303,2.0566824622,-0.6624813035\H,5.82328714
 62,1.0875093186,-1.812751596\H,4.659096444,3.3611464812,-0.087982319\H
 ,5.0749875869,3.4526783151,-1.8115066912\H,4.1903962795,-3.0158015841,
 -2.103591515\H,4.6092834411,-4.718346172,-2.3726973651\H,3.6134324934,
 -4.2670811609,-0.9782170923\H,2.8072268274,-4.0419902803,-3.9510002426
 \H,2.2263890699,-5.2829968543,-2.841606786\H,1.9421859199,-2.161683389
 4,-0.6764758478\H,0.0150779944,-3.76898978,-4.0747569255\H,-1.57483342
 84,-2.0306450843,-3.0088592644\H,-3.0546904832,-5.1798551833,1.1082479
 295\H,-2.285122469,-4.8318445792,2.6726831793\H,-3.7363632439,-5.85044
 17529,2.5960839989\H,-4.3553893093,-3.5660906182,3.4024167619\H,-5.119
 2898985,-3.9120675505,1.8540167912\H,-1.9749669404,-3.0544625456,0.252
 5833179\H,-4.5820975149,-0.9457847438,2.8255529427\H,-3.1475668814,0.7
 879047494,1.539308586\O,0.5992760664,1.1453200077,-1.5074150137\H,1.18
 09618329,0.7863580168,-2.2164588888\H,1.2627743278,1.8915591225,-1.050
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 TIME IS NATURE'S WAY OF MAKING SURE EVERYTHING
 DOESN'T HAPPEN AT ONCE.
                     - WOODY ALLEN
 Job cpu time:       0 days 14 hours 18 minutes 18.5 seconds.
 File lengths (MBytes):  RWF=    119 Int=      0 D2E=      0 Chk=     18 Scr=      1
 Normal termination of Gaussian 09 at Tue Jun 16 07:15:09 2020.
